CCC1CCC(NC(=O)CCCC2=NN=N[N-]2)(C(=O)OC)CC1	REAL000000000123	0	47	-1.0	-47.38	361.15	6.17	-41.21
CCC1CCC(NC(=O)CCCC2=N[N-]N=N2)(C(=O)OC)CC1	REAL000000000123	1	47	-1.0	-47.36	361.10	6.16	-41.20
CCC1CCC(NC(=O)CCCC2=NNN=N2)(C(=O)OC)CC1	REAL000000000123	1	48	0.0	-18.73	365.13	4.81	-13.92
CCC1CCC(NC(=O)CCC2=NN=N[N-]2)(C(=O)OC)CC1	REAL000000000124	0	44	-1.0	-39.87	339.65	5.38	-34.49
CCC1CCC(NC(=O)CCC2=N[N-]N=N2)(C(=O)OC)CC1	REAL000000000124	1	44	-1.0	-39.86	339.59	5.38	-34.48
CCC1CCC(NC(=O)CCC2=NNN=N2)(C(=O)OC)CC1	REAL000000000124	1	45	0.0	-11.18	343.03	5.39	-5.79
CCC1CCC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)(C(=O)OC)CC1	REAL000000000125	0	51	0.0	-15.90	389.68	9.05	-6.85
CCC1CCC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)(C(=O)OC)CC1	REAL000000000126	0	48	0.0	-9.84	375.11	5.98	-3.86
O=C(CCCC1=NN=N[N-]1)NC1=CC(F)=CC=C1OCC(F)(F)F	REAL000000000127	0	36	-1.0	-51.03	328.89	4.24	-46.78
O=C(CCCC1=N[N-]N=N1)NC1=CC(F)=CC=C1OCC(F)(F)F	REAL000000000127	1	36	-1.0	-51.02	328.83	4.23	-46.78
O=C(CCCC1=NNN=N1)NC1=CC(F)=CC=C1OCC(F)(F)F	REAL000000000127	1	37	0.0	-16.80	332.26	4.25	-12.54
O=C(CCC1=NN=N[N-]1)NC1=CC(F)=CC=C1OCC(F)(F)F	REAL000000000128	0	33	-1.0	-43.80	307.39	3.46	-40.35
O=C(CCC1=N[N-]N=N1)NC1=CC(F)=CC=C1OCC(F)(F)F	REAL000000000128	1	33	-1.0	-43.79	307.33	3.46	-40.34
O=C(CCC1=NNN=N1)NC1=CC(F)=CC=C1OCC(F)(F)F	REAL000000000128	1	34	0.0	-13.00	310.76	3.46	-9.53
O=C(NC1=CC(F)=CC=C1OCC(F)(F)F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000129	0	40	0.0	-18.13	358.04	7.12	-11.02
O=C(NC1=CC(F)=CC=C1OCC(F)(F)F)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000130	0	37	0.0	-12.54	342.85	4.04	-8.51
CCC(CNC(=O)CCCC1=NN=N[N-]1)OC1=CC=CC=C1F	REAL000000000131	0	42	-1.0	-50.02	347.73	4.38	-45.64
CCC(CNC(=O)CCCC1=N[N-]N=N1)OC1=CC=CC=C1F	REAL000000000131	1	42	-1.0	-50.00	347.68	4.37	-45.63
CCC(CNC(=O)CCCC1=NNN=N1)OC1=CC=CC=C1F	REAL000000000131	1	43	0.0	-16.38	351.11	4.39	-11.99
CCC(CNC(=O)CCC1=NN=N[N-]1)OC1=CC=CC=C1F	REAL000000000132	0	39	-1.0	-43.52	326.94	3.57	-39.95
CCC(CNC(=O)CCC1=N[N-]N=N1)OC1=CC=CC=C1F	REAL000000000132	1	39	-1.0	-43.52	326.89	3.57	-39.95
CCC(CNC(=O)CCC1=NNN=N1)OC1=CC=CC=C1F	REAL000000000132	1	40	0.0	-13.19	329.92	3.55	-9.64
CCC(CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)OC1=CC=CC=C1F	REAL000000000133	0	46	0.0	-18.56	376.76	7.21	-11.35
CCC(CNC(=O)C1=CC=C(C2=NNN=N2)C=N1)OC1=CC=CC=C1F	REAL000000000134	0	43	0.0	-12.61	362.42	4.14	-8.46
CC1(C)CN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCS1	REAL000000000135	0	40	0.0	-14.78	321.70	7.45	-7.33
CC1(C)CN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CCS1	REAL000000000136	0	37	0.0	-8.26	306.18	5.23	-3.03
O=C(CCCC1=NN=N[N-]1)NCC(C1=CC=C(Cl)C=C1)N1C=CC=N1	REAL000000000137	0	42	-1.0	-46.74	372.15	5.21	-41.53
O=C(CCCC1=N[N-]N=N1)NCC(C1=CC=C(Cl)C=C1)N1C=CC=N1	REAL000000000137	1	42	-1.0	-46.73	372.09	5.20	-41.53
O=C(CCCC1=NNN=N1)NCC(C1=CC=C(Cl)C=C1)N1C=CC=N1	REAL000000000137	1	43	0.0	-14.56	375.52	5.22	-9.33
O=C(CCC1=NN=N[N-]1)NCC(C1=CC=C(Cl)C=C1)N1C=CC=N1	REAL000000000138	0	39	-1.0	-40.49	350.66	4.43	-36.06
O=C(CCC1=N[N-]N=N1)NCC(C1=CC=C(Cl)C=C1)N1C=CC=N1	REAL000000000138	1	39	-1.0	-40.49	350.60	4.43	-36.06
O=C(CCC1=NNN=N1)NCC(C1=CC=C(Cl)C=C1)N1C=CC=N1	REAL000000000138	1	40	0.0	-11.46	354.04	4.43	-7.03
O=C(NCC(C1=CC=C(Cl)C=C1)N1C=CC=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000139	0	43	0.0	-10.92	386.13	5.01	-5.91
CC1C(C2=CC=CC=C2)CCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000140	0	46	0.0	-11.89	352.85	9.14	-2.75
CC1C(C2=CC=CC=C2)CCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000141	0	43	0.0	-9.87	349.89	7.48	-2.39
CCC1=CC=C(C(C)(C)NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL000000000142	0	44	-1.0	-45.53	348.32	6.21	-39.32
CCC1=CC=C(C(C)(C)NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL000000000142	1	44	-1.0	-45.51	348.27	6.21	-39.30
CCC1=CC=C(C(C)(C)NC(=O)CCCC2=NNN=N2)C=C1	REAL000000000142	1	45	0.0	-12.14	351.68	6.22	-5.92
CCC1=CC=C(C(C)(C)NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000000143	0	48	0.0	-13.71	376.98	9.08	-4.64
CCC1=CC=C(C(C)(C)NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000000144	0	45	0.0	-7.94	362.27	6.01	-1.93
CN(C(=O)CCCC1=NN=N[N-]1)C(C1=CC=C(F)C=C1)C1=CC=C(Cl)C=C1	REAL000000000145	0	45	-1.0	-47.80	385.41	9.41	-38.39
CN(C(=O)CCCC1=N[N-]N=N1)C(C1=CC=C(F)C=C1)C1=CC=C(Cl)C=C1	REAL000000000145	1	45	-1.0	-47.78	385.36	9.41	-38.37
CN(C(=O)CCCC1=NNN=N1)C(C1=CC=C(F)C=C1)C1=CC=C(Cl)C=C1	REAL000000000145	1	46	0.0	-15.45	389.28	9.48	-5.97
CN(C(=O)CCC1=NN=N[N-]1)C(C1=CC=C(F)C=C1)C1=CC=C(Cl)C=C1	REAL000000000146	0	42	-1.0	-39.79	363.51	8.50	-31.29
CN(C(=O)CCC1=N[N-]N=N1)C(C1=CC=C(F)C=C1)C1=CC=C(Cl)C=C1	REAL000000000146	1	42	-1.0	-39.79	363.46	8.49	-31.30
CN(C(=O)CCC1=NNN=N1)C(C1=CC=C(F)C=C1)C1=CC=C(Cl)C=C1	REAL000000000146	1	43	0.0	-11.32	366.90	8.51	-2.81
C[N@H+](CC1CC1)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL000000000147	0	48	0.0	-75.63	371.60	7.04	-68.60
C[N@@H+](CC1CC1)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL000000000147	1	48	0.0	-75.61	369.70	7.00	-68.61
C[N@H+](CC1CC1)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL000000000147	1	48	0.0	-75.62	371.54	7.04	-68.59
C[N@@H+](CC1CC1)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL000000000147	1	48	0.0	-75.59	369.64	7.00	-68.59
C[N@H+](CC1CC1)CC1CCN(C(=O)CCCC2=NNN=N2)C1	REAL000000000147	1	49	1.0	-50.95	374.98	7.05	-43.90
C[N@@H+](CC1CC1)CC1CCN(C(=O)CCCC2=NNN=N2)C1	REAL000000000147	1	49	1.0	-50.89	374.97	7.05	-43.84
C[N@H+](CC1CC1)CC1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000000148	0	52	1.0	-50.80	393.98	9.36	-41.45
C[N@@H+](CC1CC1)CC1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000000148	1	52	1.0	-50.92	392.19	9.35	-41.58
C[N@H+](CC1CC1)CC1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000000149	0	49	1.0	-44.70	381.80	7.19	-37.52
C[N@@H+](CC1CC1)CC1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000000149	1	49	1.0	-44.69	381.84	7.18	-37.52
CC1=CC=C(C(F)(F)F)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000000150	0	35	-1.0	-50.87	309.59	5.23	-45.64
CC1=CC=C(C(F)(F)F)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000000150	1	35	-1.0	-50.85	309.54	5.22	-45.63
CC1=CC=C(C(F)(F)F)C=C1NC(=O)CCCC1=NNN=N1	REAL000000000150	1	36	0.0	-16.93	312.97	5.24	-11.69
CC1=CC=C(C(F)(F)F)C=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000151	0	39	0.0	-18.52	338.75	8.10	-10.42
CC1=CC=C(C(F)(F)F)C=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000152	0	36	0.0	-10.91	323.86	5.03	-5.88
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](C2CCCC2)CC1	REAL000000000153	0	48	0.0	-68.15	362.01	5.56	-62.59
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](C2CCCC2)CC1	REAL000000000153	1	48	0.0	-68.13	361.96	5.57	-62.56
O=C(CCCC1=NNN=N1)NC1CC[NH+](C2CCCC2)CC1	REAL000000000153	1	49	1.0	-45.82	359.14	5.29	-40.53
O=C(NC1CC[NH+](C2CCCC2)CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000154	0	52	1.0	-47.61	384.71	8.10	-39.51
O=C(NC1CC[NH+](C2CCCC2)CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000155	0	49	1.0	-40.76	375.99	5.36	-35.40
CN1C=C(Br)C=C(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL000000000156	0	32	-1.0	-57.91	300.42	3.86	-54.05
CN1C=C(Br)C=C(NC(=O)CCC2=N[N-]N=N2)C1=O	REAL000000000157	0	29	-1.0	-49.91	278.87	3.08	-46.83
CN1C=C(Br)C=C(NC(=O)CCC2=NNN=N2)C1=O	REAL000000000157	1	30	0.0	-17.87	282.31	3.09	-14.78
CN1C=C(Br)C=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1=O	REAL000000000158	0	35	-1.0	-64.41	324.94	6.85	-57.56
CN1C=C(Br)C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1=O	REAL000000000159	0	32	-1.0	-45.89	311.84	3.35	-42.55
COCCN(CC1=NN=C(C2=CC=CS2)O1)C(=O)CCCC1=NN=N[N-]1	REAL000000000160	0	44	-1.0	-53.85	384.64	1.15	-52.70
COCCN(CC1=NN=C(C2=CC=CS2)O1)C(=O)CCCC1=N[N-]N=N1	REAL000000000160	1	44	-1.0	-53.84	384.58	1.15	-52.69
COCCN(CC1=NN=C(C2=CC=CS2)O1)C(=O)CCCC1=NNN=N1	REAL000000000160	1	45	0.0	-19.58	388.02	1.16	-18.42
COCCN(CC1=NN=C(C2=CC=CS2)O1)C(=O)CCC1=NN=N[N-]1	REAL000000000161	0	41	-1.0	-50.59	367.15	0.18	-50.41
COCCN(CC1=NN=C(C2=CC=CS2)O1)C(=O)CCC1=N[N-]N=N1	REAL000000000161	1	41	-1.0	-50.59	367.09	0.17	-50.42
COCCN(CC1=NN=C(C2=CC=CS2)O1)C(=O)CCC1=NNN=N1	REAL000000000161	1	42	0.0	-17.20	370.53	0.19	-17.02
CN(C)CCN(C(=O)CCCC1=NN=N[N-]1)C1CCS(=O)(=O)C1	REAL000000000162	0	46	-1.0	-56.32	368.05	-0.08	-56.41
CN(C)CCN(C(=O)CCC1=NN=N[N-]1)C1CCS(=O)(=O)C1	REAL000000000163	0	43	-1.0	-47.00	348.51	-0.64	-47.63
CN(C)CCN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCS(=O)(=O)C1	REAL000000000164	0	47	0.0	-17.76	378.86	0.84	-16.93
C[NH+](C)CCN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCS(=O)(=O)C1	REAL000000000164	1	48	1.0	-62.15	372.17	3.08	-59.08
O=C(NC1=CC2=NNN=C2C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000165	0	35	0.0	-17.01	302.01	3.47	-13.55
O=C(NC1=CC=C2NN=NC2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000165	1	35	0.0	-17.31	301.80	3.50	-13.81
O=C(NC1=CC2=NNN=C2C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000166	0	32	0.0	-10.82	286.90	0.45	-10.38
O=C(NC1=CC=C2NN=NC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000166	1	32	0.0	-16.82	287.55	0.42	-16.40
CCOC(=O)CN1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL000000000167	0	46	-1.0	-54.20	359.43	4.23	-49.97
CCOC(=O)CN1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL000000000167	1	46	-1.0	-54.19	359.37	4.22	-49.98
CCOC(=O)CN1CCCN(C(=O)CCCC2=NNN=N2)CC1	REAL000000000167	1	47	0.0	-18.18	362.80	4.23	-13.94
CCOC(=O)CN1CCCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL000000000168	0	43	-1.0	-41.27	335.82	2.83	-38.44
CCOC(=O)CN1CCCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL000000000168	1	43	-1.0	-41.27	335.76	2.83	-38.44
CCOC(=O)CN1CCCN(C(=O)CCC2=NNN=N2)CC1	REAL000000000168	1	44	0.0	-14.31	341.30	3.45	-10.85
CCOC(=O)CN1CCCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000000169	0	50	0.0	-17.37	381.01	5.95	-11.43
CCOC(=O)CN1CCCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000000170	0	47	0.0	-11.05	367.37	4.35	-6.70
O=C(NC1=C2C=NC=CC2=NC=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000171	0	37	0.0	-17.14	315.75	4.98	-12.16
O=C(NC1=C2C=NC=CC2=NC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000172	0	34	0.0	-11.08	299.90	1.86	-9.22
O=C(CCCC1=NN=N[N-]1)NC1=NNC(C2CCCCC2)=C1	REAL000000000173	0	42	-1.0	-47.44	336.28	4.64	-42.80
O=C(CCCC1=N[N-]N=N1)NC1=NNC(C2CCCCC2)=C1	REAL000000000173	1	42	-1.0	-47.43	336.22	4.63	-42.80
O=C(CCCC1=NNN=N1)NC1=NNC(C2CCCCC2)=C1	REAL000000000173	1	43	0.0	-14.52	339.63	4.65	-9.87
O=C(NC1=NNC(C2CCCCC2)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000174	0	46	0.0	-15.20	364.76	7.49	-7.70
O=C(NC1=NNC(C2CCCCC2)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000175	0	43	0.0	-9.67	350.20	4.43	-5.23
CNC(=O)C1=CC(OC2=CC(C)=CC=C2NC(=O)CCCC2=NN=N[N-]2)=CC=N1	REAL000000000176	0	49	-1.0	-50.11	416.47	3.59	-46.52
CNC(=O)C1=CC(OC2=CC(C)=CC=C2NC(=O)CCCC2=N[N-]N=N2)=CC=N1	REAL000000000176	1	49	-1.0	-50.10	416.40	3.59	-46.50
CNC(=O)C1=CC(OC2=CC(C)=CC=C2NC(=O)CCCC2=NNN=N2)=CC=N1	REAL000000000176	1	50	0.0	-17.41	419.83	3.60	-13.81
CNC(=O)C1=CC(OC2=CC(C)=CC=C2NC(=O)CCC2=NN=N[N-]2)=CC=N1	REAL000000000177	0	46	-1.0	-44.40	394.96	2.81	-41.58
CNC(=O)C1=CC(OC2=CC(C)=CC=C2NC(=O)CCC2=N[N-]N=N2)=CC=N1	REAL000000000177	1	46	-1.0	-44.39	394.90	2.80	-41.59
CNC(=O)C1=CC(OC2=CC(C)=CC=C2NC(=O)CCC2=NNN=N2)=CC=N1	REAL000000000177	1	47	0.0	-14.05	398.33	2.82	-11.23
CCOC(=O)C(CC1=CC=NC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL000000000178	0	43	-1.0	-53.80	369.74	4.61	-49.19
CCOC(=O)C(CC1=CC=NC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL000000000178	1	43	-1.0	-53.79	369.68	4.61	-49.18
CCOC(=O)C(CC1=CC=NC=C1)NC(=O)CCCC1=NNN=N1	REAL000000000178	1	44	0.0	-19.71	373.11	4.62	-15.09
CCOC(=O)C(CC1=CC=NC=C1)NC(=O)CCC1=NN=N[N-]1	REAL000000000179	0	40	-1.0	-46.33	348.23	3.83	-42.49
CCOC(=O)C(CC1=CC=NC=C1)NC(=O)CCC1=N[N-]N=N1	REAL000000000179	1	40	-1.0	-46.33	348.18	3.84	-42.49
CCOC(=O)C(CC1=CC=NC=C1)NC(=O)CCC1=NNN=N1	REAL000000000179	1	41	0.0	-15.69	351.69	3.84	-11.85
CCOC(=O)C(CC1=CC=NC=C1)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000180	0	47	0.0	-22.48	398.27	7.48	-15.00
CCOC(=O)C(CC1=CC=NC=C1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000181	0	44	0.0	-14.96	383.72	4.41	-10.55
CC1=CC(C(C)NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CC=C1F	REAL000000000182	0	42	0.0	-15.57	351.90	7.91	-7.66
CC1=CC(C(C)NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC=C1F	REAL000000000183	0	39	0.0	-9.18	337.34	4.85	-4.34
CN1C=C(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C=N1	REAL000000000184	0	41	-1.0	-51.40	331.37	2.35	-49.05
CN1C=C(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C=N1	REAL000000000184	1	41	-1.0	-51.39	331.32	2.35	-49.03
CN1C=C(N2CCN(C(=O)CCCC3=NNN=N3)CC2)C=N1	REAL000000000184	1	42	0.0	-18.54	334.82	2.38	-16.16
CN1C=C(N2CCN(C(=O)C3=CC=CC(NC4=NNN=N4)=C3)CC2)C=N1	REAL000000000185	0	45	0.0	-20.49	357.58	4.84	-15.65
CN1C=C(N2CCN(C(=O)C3=CC=C(C4=NNN=N4)C=N3)CC2)C=N1	REAL000000000186	0	42	0.0	-13.28	342.78	2.57	-10.71
CC1CC(C)(C)CCC1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000187	0	48	0.0	-14.34	358.87	8.21	-6.13
CC1CC(C)(C)CCC1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000188	0	45	0.0	-7.91	348.78	4.74	-3.18
CCSC1CCCC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000000189	0	46	0.0	-14.56	368.56	8.40	-6.16
CCSC1CCCC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000000190	0	43	0.0	-8.19	354.00	5.32	-2.86
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1N1CCOC1=O	REAL000000000191	0	41	-1.0	-57.34	347.54	5.03	-52.31
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1N1CCOC1=O	REAL000000000191	1	41	-1.0	-57.33	347.48	5.03	-52.30
CC1=CC=C(NC(=O)CCCC2=NNN=N2)C=C1N1CCOC1=O	REAL000000000191	1	42	0.0	-24.26	350.91	5.04	-19.22
CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1N1CCOC1=O	REAL000000000192	0	38	-1.0	-52.85	326.05	4.25	-48.60
CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1N1CCOC1=O	REAL000000000192	1	38	-1.0	-52.85	325.99	4.25	-48.60
CC1=CC=C(NC(=O)CCC2=NNN=N2)C=C1N1CCOC1=O	REAL000000000192	1	39	0.0	-19.90	329.42	4.26	-15.65
CC1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1N1CCOC1=O	REAL000000000193	0	45	0.0	-29.82	377.34	7.80	-22.03
CC1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1N1CCOC1=O	REAL000000000194	0	42	0.0	-18.76	361.85	4.81	-13.95
CCC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CCOCC1	REAL000000000195	0	46	0.0	-16.21	352.11	5.74	-10.47
CCC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCOCC1	REAL000000000196	0	43	0.0	-9.26	337.55	2.67	-6.59
CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL000000000197	0	59	-1.0	-51.83	459.13	4.18	-47.65
CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL000000000197	1	59	-1.0	-51.83	459.07	4.17	-47.65
CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)CCCC2=NNN=N2)CC1	REAL000000000197	1	60	0.0	-18.68	462.57	4.19	-14.49
CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL000000000198	0	56	-1.0	-44.07	437.64	3.40	-40.67
CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL000000000198	1	56	-1.0	-44.07	437.58	3.39	-40.67
CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)CCC2=NNN=N2)CC1	REAL000000000198	1	57	0.0	-14.27	441.01	3.41	-10.86
CC1=NC(C2=CC=C(C)C(NC(=O)CCCC3=NN=N[N-]3)=C2)=NN1	REAL000000000199	0	41	-1.0	-58.64	347.95	4.95	-53.69
CC1=NC(C2=CC=C(C)C(NC(=O)CCCC3=N[N-]N=N3)=C2)=NN1	REAL000000000199	1	41	-1.0	-58.62	347.90	4.95	-53.67
CC1=NC(C2=CC=C(C)C(NC(=O)CCCC3=NNN=N3)=C2)=NN1	REAL000000000199	1	42	0.0	-23.62	351.33	4.96	-18.66
CC1=NC(C2=CC=C(C)C(NC(=O)CCC3=NN=N[N-]3)=C2)=NN1	REAL000000000200	0	38	-1.0	-49.41	326.48	4.17	-45.25
CC1=NC(C2=CC=C(C)C(NC(=O)CCC3=N[N-]N=N3)=C2)=NN1	REAL000000000200	1	38	-1.0	-49.41	326.42	4.17	-45.24
CC1=NC(C2=CC=C(C)C(NC(=O)CCC3=NNN=N3)=C2)=NN1	REAL000000000200	1	39	0.0	-18.84	329.85	4.18	-14.66
CC1=NC(C2=CC=C(C)C(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=C2)=NN1	REAL000000000201	0	45	0.0	-25.58	377.12	7.82	-17.75
CC1=NC(C2=CC=C(C)C(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=C2)=NN1	REAL000000000202	0	42	0.0	-17.50	362.94	4.79	-12.71
CCC(CNC(=O)CCCC1=NN=N[N-]1)OC1=CC=CC=C1Cl	REAL000000000203	0	42	-1.0	-48.59	357.54	4.86	-43.73
CCC(CNC(=O)CCCC1=N[N-]N=N1)OC1=CC=CC=C1Cl	REAL000000000203	1	42	-1.0	-48.58	357.49	4.86	-43.72
CCC(CNC(=O)CCCC1=NNN=N1)OC1=CC=CC=C1Cl	REAL000000000203	1	43	0.0	-15.02	360.92	4.87	-10.15
CCC(CNC(=O)CCC1=NN=N[N-]1)OC1=CC=CC=C1Cl	REAL000000000204	0	39	-1.0	-42.08	336.74	4.06	-38.02
CCC(CNC(=O)CCC1=N[N-]N=N1)OC1=CC=CC=C1Cl	REAL000000000204	1	39	-1.0	-42.07	336.68	4.05	-38.02
CCC(CNC(=O)CCC1=NNN=N1)OC1=CC=CC=C1Cl	REAL000000000204	1	40	0.0	-11.82	339.72	4.04	-7.78
CCC(CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)OC1=CC=CC=C1Cl	REAL000000000205	0	46	0.0	-17.13	386.56	7.69	-9.44
CCC(CNC(=O)C1=CC=C(C2=NNN=N2)C=N1)OC1=CC=CC=C1Cl	REAL000000000206	0	43	0.0	-11.22	372.22	4.63	-6.59
CCCOC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL000000000207	0	48	-1.0	-45.11	367.21	4.62	-40.48
CCCOC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL000000000207	1	48	-1.0	-45.10	367.15	4.62	-40.48
CCCOC1(CNC(=O)CCCC2=NNN=N2)CCCCC1	REAL000000000207	1	49	0.0	-11.83	370.59	4.63	-7.20
CCCOC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCCCC1	REAL000000000208	0	52	0.0	-13.40	396.09	7.52	-5.89
CCCOC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCCCC1	REAL000000000209	0	49	0.0	-7.70	381.31	4.47	-3.23
CC1(CCC2=CC=CC=C2)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL000000000210	0	48	-1.0	-48.89	381.93	8.34	-40.55
CC1(CCC2=CC=CC=C2)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL000000000210	1	48	-1.0	-48.87	381.87	8.34	-40.53
CC1(CCC2=CC=CC=C2)CCN(C(=O)CCCC2=NNN=N2)C1	REAL000000000210	1	49	0.0	-15.33	385.36	8.35	-6.97
CC1(CCC2=CC=CC=C2)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL000000000211	0	45	-1.0	-41.04	360.43	7.56	-33.47
CC1(CCC2=CC=CC=C2)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL000000000211	1	45	-1.0	-41.04	360.37	7.55	-33.49
CC1(CCC2=CC=CC=C2)CCN(C(=O)CCC2=NNN=N2)C1	REAL000000000211	1	46	0.0	-10.98	363.86	7.57	-3.41
CC1(CCC2=CC=CC=C2)CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000000212	0	52	0.0	-17.71	404.65	10.58	-7.14
CC1(CCC2=CC=CC=C2)CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000000213	0	49	0.0	-10.22	391.29	8.60	-1.62
O=C(CCCC1=NN=N[N-]1)N(CC1=CC(F)=CC=C1F)C1CCCC1	REAL000000000214	0	45	-1.0	-47.89	357.32	8.01	-39.88
O=C(CCCC1=N[N-]N=N1)N(CC1=CC(F)=CC=C1F)C1CCCC1	REAL000000000214	1	45	-1.0	-47.88	357.26	8.00	-39.88
O=C(CCCC1=NNN=N1)N(CC1=CC(F)=CC=C1F)C1CCCC1	REAL000000000214	1	46	0.0	-13.38	359.36	8.00	-5.38
O=C(CCC1=NN=N[N-]1)N(CC1=CC(F)=CC=C1F)C1CCCC1	REAL000000000215	0	42	-1.0	-40.99	330.06	7.14	-33.84
O=C(CCC1=N[N-]N=N1)N(CC1=CC(F)=CC=C1F)C1CCCC1	REAL000000000215	1	42	-1.0	-40.99	330.00	7.13	-33.85
O=C(CCC1=NNN=N1)N(CC1=CC(F)=CC=C1F)C1CCCC1	REAL000000000215	1	43	0.0	-9.71	333.44	7.16	-2.55
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N(CC1=CC(F)=CC=C1F)C1CCCC1	REAL000000000216	0	49	0.0	-14.43	386.61	10.36	-4.06
O=C(C1=CC=C(C2=NNN=N2)C=N1)N(CC1=CC(F)=CC=C1F)C1CCCC1	REAL000000000217	0	46	0.0	-10.02	367.53	8.67	-1.35
O=C(CCCC1=NN=N[N-]1)N1CC(CCN2CCCC2=O)C2=CC=CC=C21	REAL000000000218	0	50	-1.0	-58.18	399.90	7.67	-50.50
O=C(CCCC1=N[N-]N=N1)N1CC(CCN2CCCC2=O)C2=CC=CC=C21	REAL000000000218	1	50	-1.0	-58.17	399.85	7.67	-50.50
O=C(CCCC1=NNN=N1)N1CC(CCN2CCCC2=O)C2=CC=CC=C21	REAL000000000218	1	51	0.0	-22.88	403.28	7.68	-15.19
O=C(CCC1=NN=N[N-]1)N1CC(CCN2CCCC2=O)C2=CC=CC=C21	REAL000000000219	0	47	-1.0	-52.26	378.40	6.89	-45.36
O=C(CCC1=N[N-]N=N1)N1CC(CCN2CCCC2=O)C2=CC=CC=C21	REAL000000000219	1	47	-1.0	-52.27	378.35	6.89	-45.37
O=C(CCC1=NNN=N1)N1CC(CCN2CCCC2=O)C2=CC=CC=C21	REAL000000000219	1	48	0.0	-18.34	381.78	6.90	-11.44
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CN(C)C=C1	REAL000000000220	0	40	0.0	-16.48	333.96	6.81	-9.67
CC(CCNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL000000000221	0	44	-1.0	-48.51	375.14	6.38	-42.13
CC(CCNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL000000000221	1	44	-1.0	-48.50	375.09	6.38	-42.13
CC(CCNC(=O)CCCC1=NNN=N1)C1=CC=CC(C(F)(F)F)=C1	REAL000000000221	1	45	0.0	-15.69	378.52	6.39	-9.30
CC(CCNC(=O)CCC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL000000000222	0	41	-1.0	-40.72	353.65	5.60	-35.13
CC(CCNC(=O)CCC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL000000000222	1	41	-1.0	-40.72	353.59	5.60	-35.12
CC(CCNC(=O)CCC1=NNN=N1)C1=CC=CC(C(F)(F)F)=C1	REAL000000000222	1	42	0.0	-11.72	357.03	5.61	-6.12
CC(CCNC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC(C(F)(F)F)=C1	REAL000000000223	0	45	0.0	-10.68	389.13	6.18	-4.50
CC(C)OCCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL000000000224	0	47	-1.0	-47.11	365.93	2.67	-44.44
CC(C)OCCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL000000000224	1	47	-1.0	-47.10	365.87	2.67	-44.42
CC(C)OCCN1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000000225	0	51	0.0	-15.83	393.75	5.29	-10.54
CC(C)OCCN1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000000226	0	48	0.0	-9.49	378.42	3.06	-6.43
CC1C2=C(Cl)C=C(Cl)C=C2CCN1C(=O)CCCC1=NN=N[N-]1	REAL000000000227	0	39	-1.0	-49.08	342.09	7.29	-41.78
CC1C2=C(Cl)C=C(Cl)C=C2CCN1C(=O)CCCC1=N[N-]N=N1	REAL000000000227	1	39	-1.0	-49.06	342.03	7.29	-41.76
CC1C2=C(Cl)C=C(Cl)C=C2CCN1C(=O)CCCC1=NNN=N1	REAL000000000227	1	40	0.0	-16.57	345.50	7.30	-9.28
CC1C2=C(Cl)C=C(Cl)C=C2CCN1C(=O)CCC1=NN=N[N-]1	REAL000000000228	0	36	-1.0	-39.24	320.62	6.51	-32.74
CC1C2=C(Cl)C=C(Cl)C=C2CCN1C(=O)CCC1=N[N-]N=N1	REAL000000000228	1	36	-1.0	-39.24	320.56	6.50	-32.74
CC1C2=C(Cl)C=C(Cl)C=C2CCN1C(=O)CCC1=NNN=N1	REAL000000000228	1	37	0.0	-11.35	324.00	6.52	-4.83
CC1C2=C(Cl)C=C(Cl)C=C2CCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000229	0	40	0.0	-8.30	352.62	7.63	-0.67
CCNC(=O)NC1=CC(F)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000000230	0	41	-1.0	-51.03	350.41	2.15	-48.87
CCNC(=O)NC1=CC(F)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000000230	1	41	-1.0	-51.00	350.36	2.15	-48.85
CCNC(=O)NC1=CC(F)=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000000230	1	42	0.0	-20.64	353.79	2.16	-18.48
CCNC(=O)NC1=CC(F)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL000000000231	0	38	-1.0	-41.84	328.92	1.37	-40.47
CCNC(=O)NC1=CC(F)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL000000000231	1	38	-1.0	-41.85	328.86	1.37	-40.47
CCNC(=O)NC1=CC(F)=CC=C1NC(=O)CCC1=NNN=N1	REAL000000000231	1	39	0.0	-16.33	332.29	1.38	-14.95
CCNC(=O)NC1=CC(F)=CC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000232	0	45	0.0	-20.47	379.87	4.93	-15.53
CCNC(=O)NC1=CC(F)=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000233	0	42	0.0	-13.76	364.40	1.94	-11.81
CCC1CN(C(=O)CCCC2=NN=N[N-]2)CCC1C1=CC=CC=C1	REAL000000000234	0	48	-1.0	-47.58	371.47	8.17	-39.41
CCC1CN(C(=O)CCCC2=N[N-]N=N2)CCC1C1=CC=CC=C1	REAL000000000234	1	48	-1.0	-47.57	371.41	8.18	-39.39
CCC1CN(C(=O)CCCC2=NNN=N2)CCC1C1=CC=CC=C1	REAL000000000234	1	49	0.0	-14.03	374.85	8.19	-5.85
CCC1CN(C(=O)CCC2=NN=N[N-]2)CCC1C1=CC=CC=C1	REAL000000000235	0	45	-1.0	-39.63	340.66	7.58	-32.05
CCC1CN(C(=O)CCC2=N[N-]N=N2)CCC1C1=CC=CC=C1	REAL000000000235	1	45	-1.0	-39.63	340.61	7.57	-32.05
CCC1CN(C(=O)CCC2=NNN=N2)CCC1C1=CC=CC=C1	REAL000000000235	1	46	0.0	-9.79	353.35	7.40	-2.38
CCC1CN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCC1C1=CC=CC=C1	REAL000000000236	0	52	0.0	-16.18	398.66	10.67	-5.50
CCC1CN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CCC1C1=CC=CC=C1	REAL000000000237	0	49	0.0	-8.82	373.72	8.64	-0.18
O=C(CCCC1=NN=N[N-]1)NCCC1CCN(CC(F)(F)F)CC1	REAL000000000238	0	46	-1.0	-47.72	373.37	3.22	-44.49
O=C(CCCC1=N[N-]N=N1)NCCC1CCN(CC(F)(F)F)CC1	REAL000000000238	1	46	-1.0	-47.70	373.31	3.22	-44.49
O=C(CCCC1=NNN=N1)NCCC1CCN(CC(F)(F)F)CC1	REAL000000000238	1	47	0.0	-14.83	376.76	3.24	-11.59
O=C(CCC1=NN=N[N-]1)NCCC1CCN(CC(F)(F)F)CC1	REAL000000000239	0	43	-1.0	-40.40	351.87	2.45	-37.95
O=C(CCC1=N[N-]N=N1)NCCC1CCN(CC(F)(F)F)CC1	REAL000000000239	1	43	-1.0	-40.39	351.81	2.44	-37.95
O=C(CCC1=NNN=N1)NCCC1CCN(CC(F)(F)F)CC1	REAL000000000239	1	44	0.0	-11.06	355.26	2.46	-8.60
O=C(NCCC1CCN(CC(F)(F)F)CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000240	0	50	0.0	-16.61	401.92	6.08	-10.53
O=C(NCCC1CCN(CC(F)(F)F)CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000241	0	47	0.0	-10.14	387.34	3.02	-7.13
O=C(NCCCNC(=O)C1CCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000242	0	46	0.0	-23.23	377.09	4.56	-18.67
O=C(NCCCNC(=O)C1CCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000243	0	43	0.0	-15.48	362.52	1.50	-13.98
O=C(CCCC1=NN=N[N-]1)N1CCC(C(=O)C2=CC=CS2)CC1	REAL000000000244	0	41	-1.0	-53.34	347.80	6.11	-47.23
O=C(CCCC1=N[N-]N=N1)N1CCC(C(=O)C2=CC=CS2)CC1	REAL000000000244	1	41	-1.0	-53.33	347.74	6.10	-47.23
O=C(CCCC1=NNN=N1)N1CCC(C(=O)C2=CC=CS2)CC1	REAL000000000244	1	42	0.0	-20.02	351.17	6.12	-13.90
O=C(CCC1=NN=N[N-]1)N1CCC(C(=O)C2=CC=CS2)CC1	REAL000000000245	0	38	-1.0	-44.64	326.30	5.32	-39.32
O=C(CCC1=N[N-]N=N1)N1CCC(C(=O)C2=CC=CS2)CC1	REAL000000000245	1	38	-1.0	-44.64	326.24	5.32	-39.32
O=C(CCC1=NNN=N1)N1CCC(C(=O)C2=CC=CS2)CC1	REAL000000000245	1	39	0.0	-14.93	329.67	5.33	-9.60
O=C(C1=CC=CS1)C1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000000246	0	45	0.0	-22.62	374.64	8.60	-14.02
O=C(C1=CC=CS1)C1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000000247	0	42	0.0	-14.18	359.27	6.31	-7.87
C[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=C(F)C=C1	REAL000000000248	0	44	0.0	-79.24	360.25	5.43	-73.81
C[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=C(F)C=C1	REAL000000000248	1	44	0.0	-79.23	360.30	5.43	-73.80
C[N@H+](CCNC(=O)CCCC1=N[N-]N=N1)CC1=CC=C(F)C=C1	REAL000000000248	1	44	0.0	-79.21	360.20	5.42	-73.79
C[N@@H+](CCNC(=O)CCCC1=N[N-]N=N1)CC1=CC=C(F)C=C1	REAL000000000248	1	44	0.0	-79.21	360.25	5.42	-73.79
C[N@H+](CCNC(=O)CCC1=NN=N[N-]1)CC1=CC=C(F)C=C1	REAL000000000249	0	41	0.0	-70.34	338.74	4.64	-65.70
C[N@@H+](CCNC(=O)CCC1=NN=N[N-]1)CC1=CC=C(F)C=C1	REAL000000000249	1	41	0.0	-70.32	338.81	4.64	-65.68
C[N@H+](CCNC(=O)CCC1=N[N-]N=N1)CC1=CC=C(F)C=C1	REAL000000000249	1	41	0.0	-70.33	338.69	4.64	-65.69
C[N@@H+](CCNC(=O)CCC1=N[N-]N=N1)CC1=CC=C(F)C=C1	REAL000000000249	1	41	0.0	-70.31	338.75	4.64	-65.67
C[N@H+](CCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)CC1=CC=C(F)C=C1	REAL000000000250	0	48	1.0	-59.45	388.76	8.28	-51.16
C[N@@H+](CCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)CC1=CC=C(F)C=C1	REAL000000000250	1	48	1.0	-59.55	389.23	8.25	-51.30
CN(CCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)CC1=CC=C(F)C=C1	REAL000000000250	1	47	0.0	-18.17	386.65	5.95	-12.22
C[N@H+](CCNC(=O)C1=CC=C(C2=NNN=N2)C=N1)CC1=CC=C(F)C=C1	REAL000000000251	0	45	1.0	-52.29	374.22	5.22	-47.07
C[N@@H+](CCNC(=O)C1=CC=C(C2=NNN=N2)C=N1)CC1=CC=C(F)C=C1	REAL000000000251	1	45	1.0	-52.28	374.28	5.22	-47.06
CN(CCNC(=O)C1=CC=C(C2=NNN=N2)C=N1)CC1=CC=C(F)C=C1	REAL000000000251	1	44	0.0	-10.88	372.04	2.89	-7.99
COC1=CC(OC)=CC(N2N=NN=C2CN(C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL000000000252	0	48	-1.0	-50.14	398.63	3.39	-46.74
COC1=CC(OC)=CC(N2N=NN=C2CN(C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL000000000252	1	48	-1.0	-50.12	398.57	3.39	-46.73
COC1=CC(OC)=CC(N2N=NN=C2CN(C)C(=O)CCCC2=NNN=N2)=C1	REAL000000000252	1	49	0.0	-18.82	401.98	3.40	-15.42
COC1=CC(OC)=CC(N2N=NN=C2CN(C)C(=O)CCC2=NN=N[N-]2)=C1	REAL000000000253	0	45	-1.0	-48.90	379.85	2.64	-46.26
COC1=CC(OC)=CC(N2N=NN=C2CN(C)C(=O)CCC2=N[N-]N=N2)=C1	REAL000000000253	1	45	-1.0	-48.91	379.79	2.63	-46.27
COC1=CC(OC)=CC(N2N=NN=C2CN(C)C(=O)CCC2=NNN=N2)=C1	REAL000000000253	1	46	0.0	-15.30	380.50	2.62	-12.68
CC(CNC(=O)CCCC1=NN=N[N-]1)OC1=CC=CC=C1Br	REAL000000000254	0	39	-1.0	-48.75	347.39	4.37	-44.38
CC(CNC(=O)CCCC1=N[N-]N=N1)OC1=CC=CC=C1Br	REAL000000000254	1	39	-1.0	-48.74	347.33	4.36	-44.38
CC(CNC(=O)CCCC1=NNN=N1)OC1=CC=CC=C1Br	REAL000000000254	1	40	0.0	-14.75	350.77	4.38	-10.38
CC(CNC(=O)CCC1=NN=N[N-]1)OC1=CC=CC=C1Br	REAL000000000255	0	36	-1.0	-42.27	325.59	3.64	-38.64
CC(CNC(=O)CCC1=N[N-]N=N1)OC1=CC=CC=C1Br	REAL000000000255	1	36	-1.0	-42.27	325.53	3.63	-38.64
CC(CNC(=O)CCC1=NNN=N1)OC1=CC=CC=C1Br	REAL000000000255	1	37	0.0	-11.05	328.97	3.65	-7.40
C[NH+](C)CCCOC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL000000000256	0	51	0.0	-74.73	390.57	5.73	-69.00
C[NH+](C)CCCOC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL000000000256	1	51	0.0	-74.72	390.51	5.72	-69.00
C[NH+](C)CCCOC1CCN(C(=O)CCCC2=NNN=N2)CC1	REAL000000000256	1	52	1.0	-48.98	394.01	5.75	-43.23
C[NH+](C)CCCOC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL000000000257	0	48	0.0	-65.07	369.07	4.95	-60.12
C[NH+](C)CCCOC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL000000000257	1	48	0.0	-65.08	369.02	4.94	-60.14
C[NH+](C)CCCOC1CCN(C(=O)CCC2=NNN=N2)CC1	REAL000000000257	1	49	1.0	-44.23	372.45	4.96	-39.26
C[NH+](C)CCCOC1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000000258	0	55	1.0	-50.65	417.41	8.22	-42.43
C[NH+](C)CCCOC1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000000259	0	52	1.0	-43.41	402.04	5.93	-37.48
CC(C)CC(C)(C)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000260	0	47	0.0	-14.54	354.63	7.19	-7.34
CC(C)CC(C)(C)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000261	0	44	0.0	-7.80	339.06	4.06	-3.74
O=C(CCCC1=NN=N[N-]1)NCC1=C(F)C(F)=CC(F)=C1F	REAL000000000262	0	32	-1.0	-46.75	302.34	3.66	-43.09
O=C(CCCC1=N[N-]N=N1)NCC1=C(F)C(F)=CC(F)=C1F	REAL000000000262	1	32	-1.0	-46.74	302.28	3.66	-43.08
O=C(CCCC1=NNN=N1)NCC1=C(F)C(F)=CC(F)=C1F	REAL000000000262	1	33	0.0	-13.51	305.71	3.66	-9.85
O=C(CCC1=NN=N[N-]1)NCC1=C(F)C(F)=CC(F)=C1F	REAL000000000263	0	29	-1.0	-39.42	280.84	2.88	-36.55
O=C(CCC1=N[N-]N=N1)NCC1=C(F)C(F)=CC(F)=C1F	REAL000000000263	1	29	-1.0	-39.42	280.78	2.88	-36.54
O=C(CCC1=NNN=N1)NCC1=C(F)C(F)=CC(F)=C1F	REAL000000000263	1	30	0.0	-9.78	284.22	2.89	-6.89
O=C(NCC1=C(F)C(F)=CC(F)=C1F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000264	0	36	0.0	-15.03	330.87	6.52	-8.50
O=C(NCC1=C(F)C(F)=CC(F)=C1F)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000265	0	33	0.0	-8.97	316.31	3.45	-5.52
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C(=O)N(C)C	REAL000000000266	0	42	-1.0	-50.30	345.48	3.88	-46.42
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C(=O)N(C)C	REAL000000000266	1	42	-1.0	-50.29	345.42	3.88	-46.40
CC1=CC=C(NC(=O)CCCC2=NNN=N2)C=C1C(=O)N(C)C	REAL000000000266	1	43	0.0	-18.52	349.19	3.91	-14.61
CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1C(=O)N(C)C	REAL000000000267	0	39	-1.0	-45.02	323.09	3.10	-41.92
CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1C(=O)N(C)C	REAL000000000267	1	39	-1.0	-45.01	323.03	3.09	-41.92
CC1=CC=C(NC(=O)CCC2=NNN=N2)C=C1C(=O)N(C)C	REAL000000000267	1	40	0.0	-15.00	327.91	3.10	-11.90
CC1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1C(=O)N(C)C	REAL000000000268	0	46	0.0	-18.94	374.06	6.75	-12.20
CC1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1C(=O)N(C)C	REAL000000000269	0	43	0.0	-12.66	361.13	3.73	-8.93
CC(C)COC1=CC=CC=C1C(CC(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL000000000270	0	57	-1.0	-47.94	436.15	8.05	-39.89
CC(C)COC1=CC=CC=C1C(CC(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL000000000270	1	57	-1.0	-47.93	436.10	8.04	-39.88
CC(C)COC1=CC=CC=C1C(CC(C)C)NC(=O)CCCC1=NNN=N1	REAL000000000270	1	58	0.0	-13.65	439.54	8.06	-5.59
CC(C)COC1=CC=CC=C1C(CC(C)C)NC(=O)CCC1=NN=N[N-]1	REAL000000000271	0	54	-1.0	-41.47	423.76	8.77	-32.70
CC(C)COC1=CC=CC=C1C(CC(C)C)NC(=O)CCC1=N[N-]N=N1	REAL000000000271	1	54	-1.0	-41.48	423.71	8.76	-32.72
CC(C)COC1=CC=CC=C1C(CC(C)C)NC(=O)CCC1=NNN=N1	REAL000000000271	1	55	0.0	-11.57	430.91	8.03	-3.54
O=C(CCCC1=NN=N[N-]1)N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL000000000274	0	40	-1.0	-47.34	347.30	7.71	-39.63
O=C(CCCC1=N[N-]N=N1)N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL000000000274	1	40	-1.0	-47.32	347.24	7.71	-39.61
O=C(CCCC1=NNN=N1)N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL000000000274	1	41	0.0	-14.77	350.67	7.72	-7.06
O=C(CCC1=NN=N[N-]1)N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL000000000275	0	37	-1.0	-39.18	325.76	6.92	-32.26
O=C(CCC1=N[N-]N=N1)N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL000000000275	1	37	-1.0	-39.18	325.70	6.91	-32.26
O=C(CCC1=NNN=N1)N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL000000000275	1	38	0.0	-10.21	329.18	6.94	-3.27
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL000000000276	0	44	0.0	-15.57	374.38	10.10	-5.47
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL000000000277	0	41	0.0	-9.37	358.32	8.00	-1.37
O=C(CCCC1=NN=N[N-]1)NCCOC1=CC=C(F)C=C1F	REAL000000000278	0	36	-1.0	-50.08	321.67	3.26	-46.82
O=C(CCCC1=N[N-]N=N1)NCCOC1=CC=C(F)C=C1F	REAL000000000278	1	36	-1.0	-50.06	321.62	3.26	-46.81
O=C(CCCC1=NNN=N1)NCCOC1=CC=C(F)C=C1F	REAL000000000278	1	37	0.0	-16.42	325.05	3.26	-13.16
O=C(NCCOC1=CC=C(F)C=C1F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000279	0	40	0.0	-18.51	350.20	6.12	-12.39
O=C(NCCOC1=CC=C(F)C=C1F)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000280	0	37	0.0	-12.76	335.65	3.05	-9.71
CCCCN(C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC=C1	REAL000000000281	0	45	0.0	-14.86	351.48	9.53	-5.32
CCCCN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC=C1	REAL000000000282	0	42	0.0	-9.38	337.72	7.96	-1.42
C[NH+](C)CCCN(C(=O)CCCC1=NN=N[N-]1)C1CCS(=O)(=O)C1	REAL000000000283	0	50	0.0	-73.25	391.80	3.17	-70.08
C[NH+](C)CCCN(C(=O)CCCC1=N[N-]N=N1)C1CCS(=O)(=O)C1	REAL000000000283	1	50	0.0	-73.23	391.74	3.17	-70.07
C[NH+](C)CCCN(C(=O)CCC1=NN=N[N-]1)C1CCS(=O)(=O)C1	REAL000000000284	0	47	0.0	-70.82	372.52	2.61	-68.21
C[NH+](C)CCCN(C(=O)CCC1=N[N-]N=N1)C1CCS(=O)(=O)C1	REAL000000000284	1	47	0.0	-70.82	372.46	2.62	-68.20
C[NH+](C)CCCN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCS(=O)(=O)C1	REAL000000000285	0	51	1.0	-60.09	402.87	4.11	-55.98
CN(C)CCCN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCS(=O)(=O)C1	REAL000000000285	1	50	0.0	-18.84	400.36	1.64	-17.21
CC1C[NH+](CCCCNC(=O)CCCC2=NN=N[N-]2)CC(C)O1	REAL000000000286	0	51	0.0	-74.05	394.96	4.26	-69.80
CC1C[NH+](CCCCNC(=O)CCCC2=N[N-]N=N2)CC(C)O1	REAL000000000286	1	51	0.0	-74.04	394.90	4.26	-69.79
CC1C[NH+](CCCCNC(=O)CCCC2=NNN=N2)CC(C)O1	REAL000000000286	1	52	1.0	-50.23	398.34	4.27	-45.96
CC1C[NH+](CCCCNC(=O)CCC2=NN=N[N-]2)CC(C)O1	REAL000000000287	0	48	0.0	-65.92	373.46	3.48	-62.44
CC1C[NH+](CCCCNC(=O)CCC2=N[N-]N=N2)CC(C)O1	REAL000000000287	1	48	0.0	-65.91	373.40	3.48	-62.43
CC1C[NH+](CCCCNC(=O)CCC2=NNN=N2)CC(C)O1	REAL000000000287	1	49	1.0	-46.55	376.84	3.49	-43.06
CC1C[NH+](CCCCNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC(C)O1	REAL000000000288	0	55	1.0	-52.12	423.49	7.12	-45.00
CC1C[NH+](CCCCNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CC(C)O1	REAL000000000289	0	52	1.0	-45.35	408.93	4.06	-41.29
O=C(CCCC1=NN=N[N-]1)NCC(O)(C1=CC=C(Cl)C=C1)C(F)(F)F	REAL000000000290	0	39	-1.0	-47.53	356.38	2.78	-44.75
O=C(CCCC1=N[N-]N=N1)NCC(O)(C1=CC=C(Cl)C=C1)C(F)(F)F	REAL000000000290	1	39	-1.0	-47.51	356.33	2.77	-44.74
O=C(CCCC1=NNN=N1)NCC(O)(C1=CC=C(Cl)C=C1)C(F)(F)F	REAL000000000290	1	40	0.0	-15.52	359.66	2.82	-12.70
O=C(CCC1=NN=N[N-]1)NCC(O)(C1=CC=C(Cl)C=C1)C(F)(F)F	REAL000000000291	0	36	-1.0	-39.52	334.79	2.03	-37.49
O=C(CCC1=N[N-]N=N1)NCC(O)(C1=CC=C(Cl)C=C1)C(F)(F)F	REAL000000000291	1	36	-1.0	-39.51	334.73	2.02	-37.49
O=C(CCC1=NNN=N1)NCC(O)(C1=CC=C(Cl)C=C1)C(F)(F)F	REAL000000000291	1	37	0.0	-11.68	338.27	2.01	-9.67
C=CC(=O)NC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1F	REAL000000000292	0	37	-1.0	-50.35	327.20	2.95	-47.40
C=CC(=O)NC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1F	REAL000000000292	1	37	-1.0	-50.34	327.14	2.94	-47.40
C=CC(=O)NC1=CC(NC(=O)CCCC2=NNN=N2)=CC=C1F	REAL000000000292	1	38	0.0	-17.05	330.58	2.96	-14.10
C=CC(=O)NC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1F	REAL000000000293	0	34	-1.0	-43.28	305.71	2.16	-41.12
C=CC(=O)NC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1F	REAL000000000293	1	34	-1.0	-43.28	305.65	2.16	-41.11
C=CC(=O)NC1=CC(NC(=O)CCC2=NNN=N2)=CC=C1F	REAL000000000293	1	35	0.0	-13.60	309.08	2.17	-11.43
C=CC(=O)NC1=CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CC=C1F	REAL000000000294	0	41	0.0	-18.65	356.04	5.75	-12.90
C=CC(=O)NC1=CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC=C1F	REAL000000000295	0	38	0.0	-11.93	341.16	2.74	-9.18
CC1=NC(C)=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)S1	REAL000000000296	0	35	0.0	-16.38	307.90	4.84	-11.54
CC1=NC(C)=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)S1	REAL000000000297	0	32	0.0	-10.08	293.36	1.78	-8.30
CCCC(NC(=O)C1=C(C)N(C2=CC=CC([N+](=O)[O-])=C2)N=N1)C1=NN=N[N-]1	REAL000000000298	0	43	-1.0	-51.93	376.44	4.51	-47.42
CCCC(NC(=O)C1=C(C)N(C2=CC=CC([N+](=O)[O-])=C2)N=N1)C1=N[N-]N=N1	REAL000000000298	1	43	-1.0	-51.93	376.38	4.51	-47.42
CCCC(NC(=O)C1=C(C)N(C2=CC=CC([N+](=O)[O-])=C2)N=N1)C1=NNN=N1	REAL000000000298	1	44	0.0	-17.62	379.81	4.51	-13.11
C=CCOC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1OC	REAL000000000299	0	44	-1.0	-48.27	367.73	4.39	-43.88
C=CCOC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1OC	REAL000000000299	1	44	-1.0	-48.27	367.67	4.39	-43.88
C=CCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1OC	REAL000000000299	1	45	0.0	-13.96	371.10	4.40	-9.56
CCCC(NC(=O)C1=CC2=C(C=CC3=CC=CC=C23)N1)C1=NN=N[N-]1	REAL000000000300	0	42	-1.0	-48.93	354.66	5.83	-43.11
CCCC(NC(=O)C1=CC2=C(C=CC3=CC=CC=C23)N1)C1=N[N-]N=N1	REAL000000000300	1	42	-1.0	-48.94	354.60	5.83	-43.11
CCCC(NC(=O)C1=CC2=C(C=CC3=CC=CC=C23)N1)C1=NNN=N1	REAL000000000300	1	43	0.0	-13.65	358.04	5.84	-7.81
CCCC(NC(=O)CCC1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL000000000301	0	38	-1.0	-42.83	350.87	6.04	-36.79
CCCC(NC(=O)CCC1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL000000000301	1	38	-1.0	-42.82	350.81	6.04	-36.78
CCCC(NC(=O)CCC1=CC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000000301	1	39	0.0	-10.49	354.24	6.05	-4.44
CCCC(NC(=O)C1CCCN(C2=NC=CC=N2)C1)C1=NN=N[N-]1	REAL000000000302	0	45	-1.0	-47.81	362.56	4.42	-43.40
CCCC(NC(=O)C1CCCN(C2=NC=CC=N2)C1)C1=N[N-]N=N1	REAL000000000302	1	45	-1.0	-47.82	362.50	4.42	-43.40
CCCC(NC(=O)C1CCCN(C2=NC=CC=N2)C1)C1=NNN=N1	REAL000000000302	1	46	0.0	-12.49	365.94	4.43	-8.07
CCCC(NC(=O)CC1=CN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL000000000303	0	42	-1.0	-52.66	357.81	5.53	-47.13
CCCC(NC(=O)CC1=CN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL000000000303	1	42	-1.0	-52.66	357.75	5.53	-47.13
CCCC(NC(=O)CC1=CN(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000000303	1	43	0.0	-17.19	361.19	5.54	-11.65
CCCC(NC(=O)C1=CC=CC(CN2C(=O)CNC2=O)=C1)C1=NN=N[N-]1	REAL000000000304	0	44	-1.0	-57.77	377.16	2.26	-55.51
CCCC(NC(=O)C1=CC=CC(CN2C(=O)CNC2=O)=C1)C1=N[N-]N=N1	REAL000000000304	1	44	-1.0	-57.78	377.10	2.25	-55.53
CCCC(NC(=O)C1=CC=CC(CN2C(=O)CNC2=O)=C1)C1=NNN=N1	REAL000000000304	1	45	0.0	-20.05	380.54	2.27	-17.78
CCCC(NC(=O)C1=CC2=CC=C(Br)C=C2N1)C1=NN=N[N-]1	REAL000000000305	0	36	-1.0	-43.43	329.38	4.19	-39.24
CCCC(NC(=O)C1=CC2=CC=C(Br)C=C2N1)C1=N[N-]N=N1	REAL000000000305	1	36	-1.0	-43.43	329.32	4.18	-39.25
CCCC(NC(=O)C1=CC2=CC=C(Br)C=C2N1)C1=NNN=N1	REAL000000000305	1	37	0.0	-10.27	332.76	4.20	-6.07
CCCC(NC(=O)C1=CC2=CC(F)=CC=C2N1)C1=NN=N[N-]1	REAL000000000306	0	36	-1.0	-44.96	314.51	3.64	-41.32
CCCC(NC(=O)C1=CC2=CC(F)=CC=C2N1)C1=N[N-]N=N1	REAL000000000306	1	36	-1.0	-44.96	314.46	3.64	-41.32
CCCC(NC(=O)C1=CC2=CC(F)=CC=C2N1)C1=NNN=N1	REAL000000000306	1	37	0.0	-11.98	317.89	3.65	-8.34
CCCC(NC(=O)CCOC1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL000000000307	0	45	-1.0	-45.81	367.25	5.18	-40.63
CCCC(NC(=O)CCOC1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL000000000307	1	45	-1.0	-45.81	367.19	5.18	-40.63
CCCC(NC(=O)CCOC1=CC=C(C)C(C)=C1)C1=NNN=N1	REAL000000000307	1	46	0.0	-8.54	363.43	4.86	-3.67
CCCC(NC(=O)CCOC1=CC(C)=CC(C)=C1)C1=NN=N[N-]1	REAL000000000308	0	45	-1.0	-45.76	371.66	5.31	-40.45
CCCC(NC(=O)CCOC1=CC(C)=CC(C)=C1)C1=N[N-]N=N1	REAL000000000308	1	45	-1.0	-45.75	371.61	5.31	-40.44
CCCC(NC(=O)CCOC1=CC(C)=CC(C)=C1)C1=NNN=N1	REAL000000000308	1	46	0.0	-11.25	375.04	5.32	-5.93
CCCC(NC(=O)C1=CC2=CC(Br)=CC=C2N1)C1=NN=N[N-]1	REAL000000000309	0	36	-1.0	-44.28	329.37	4.19	-40.09
CCCC(NC(=O)C1=CC2=CC(Br)=CC=C2N1)C1=N[N-]N=N1	REAL000000000309	1	36	-1.0	-44.28	329.31	4.18	-40.10
CCCC(NC(=O)C1=CC2=CC(Br)=CC=C2N1)C1=NNN=N1	REAL000000000309	1	37	0.0	-11.14	332.75	4.20	-6.94
CCCC(NC(=O)CC(NC(C)=O)C1=CC=CS1)C1=NN=N[N-]1	REAL000000000310	0	42	-1.0	-53.05	368.87	2.97	-50.08
CCCC(NC(=O)CC(NC(C)=O)C1=CC=CS1)C1=N[N-]N=N1	REAL000000000310	1	42	-1.0	-53.05	368.81	2.96	-50.09
CCCC(NC(=O)CC(NC(C)=O)C1=CC=CS1)C1=NNN=N1	REAL000000000310	1	43	0.0	-17.35	372.23	2.99	-14.36
CCCC(NC(=O)C1=CC=C(C(F)(F)F)N=C1)C1=NN=N[N-]1	REAL000000000311	0	34	-1.0	-42.28	309.04	2.90	-39.39
CCCC(NC(=O)C1=CC=C(C(F)(F)F)N=C1)C1=N[N-]N=N1	REAL000000000311	1	34	-1.0	-42.28	308.98	2.89	-39.39
CCCC(NC(=O)C1=CC=C(C(F)(F)F)N=C1)C1=NNN=N1	REAL000000000311	1	35	0.0	-10.69	312.41	2.89	-7.80
CCCC(NC(=O)C1=C2N=C(C)C=C(C)N2N=C1)C1=NN=N[N-]1	REAL000000000312	0	40	-1.0	-59.70	341.70	3.75	-55.95
CCCC(NC(=O)C1=C2N=C(C)C=C(C)N2N=C1)C1=N[N-]N=N1	REAL000000000312	1	40	-1.0	-59.70	341.64	3.75	-55.95
CCCC(NC(=O)C1=C2N=C(C)C=C(C)N2N=C1)C1=NNN=N1	REAL000000000312	1	41	0.0	-20.60	345.08	3.76	-16.84
CCCC(NC(=O)C1=CC=CC(OCC2CCCO2)=C1)C1=NN=N[N-]1	REAL000000000313	0	47	-1.0	-54.12	382.77	4.34	-49.77
CCCC(NC(=O)C1=CC=CC(OCC2CCCO2)=C1)C1=N[N-]N=N1	REAL000000000313	1	47	-1.0	-54.12	382.71	4.34	-49.78
CCCC(NC(=O)C1=CC=CC(OCC2CCCO2)=C1)C1=NNN=N1	REAL000000000313	1	48	0.0	-16.66	386.14	4.35	-12.31
CCCC(NC(=O)COC1=CC=C(Br)C=C1Cl)C1=NN=N[N-]1	REAL000000000314	0	36	-1.0	-49.27	345.22	5.37	-43.91
CCCC(NC(=O)COC1=CC=C(Br)C=C1Cl)C1=N[N-]N=N1	REAL000000000314	1	36	-1.0	-49.27	345.16	5.37	-43.91
CCCC(NC(=O)COC1=CC=C(Br)C=C1Cl)C1=NNN=N1	REAL000000000314	1	37	0.0	-15.47	348.59	5.38	-10.09
CCCC(NC(=O)COC1=CC=C(OC2=CC=C(C)C=C2)C=C1)C1=NN=N[N-]1	REAL000000000315	0	50	-1.0	-49.34	417.99	7.72	-41.62
CCCC(NC(=O)COC1=CC=C(OC2=CC=C(C)C=C2)C=C1)C1=N[N-]N=N1	REAL000000000315	1	50	-1.0	-49.33	417.94	7.71	-41.62
CCCC(NC(=O)COC1=CC=C(OC2=CC=C(C)C=C2)C=C1)C1=NNN=N1	REAL000000000315	1	51	0.0	-15.35	421.37	7.73	-7.62
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=N1)C1=NN=N[N-]1	REAL000000000316	0	34	-1.0	-42.61	310.70	2.91	-39.71
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=N1)C1=N[N-]N=N1	REAL000000000316	1	34	-1.0	-42.62	310.64	2.90	-39.72
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=N1)C1=NNN=N1	REAL000000000316	1	35	0.0	-8.56	314.07	2.92	-5.65
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(C)C(F)=C2)C1)C1=NN=N[N-]1	REAL000000000317	0	46	-1.0	-46.07	380.38	5.33	-40.74
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(C)C(F)=C2)C1)C1=N[N-]N=N1	REAL000000000317	1	46	-1.0	-46.07	380.32	5.33	-40.74
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(C)C(F)=C2)C1)C1=NNN=N1	REAL000000000317	1	47	0.0	-17.62	383.75	5.33	-12.29
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C1=NN=N[N-]1	REAL000000000318	0	44	-1.0	-52.94	383.33	1.50	-51.44
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C1=N[N-]N=N1	REAL000000000318	1	44	-1.0	-52.94	383.28	1.50	-51.44
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C1=NNN=N1	REAL000000000318	1	45	0.0	-17.67	386.73	1.51	-16.15
CCCC(NC(=O)C1CCCN(S(=O)(=O)C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000000319	0	50	-1.0	-52.24	412.53	3.48	-48.76
CCCC(NC(=O)C1CCCN(S(=O)(=O)C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000000319	1	50	-1.0	-52.23	412.48	3.49	-48.74
CCCC(NC(=O)C1CCCN(S(=O)(=O)C2=CC=CC=C2)C1)C1=NNN=N1	REAL000000000319	1	51	0.0	-16.89	415.87	3.50	-13.39
CCCC(NC(=O)CCNC(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL000000000320	0	39	-1.0	-53.66	347.60	1.76	-51.90
CCCC(NC(=O)CCNC(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL000000000320	1	39	-1.0	-53.66	347.55	1.76	-51.90
CCCC(NC(=O)CCNC(=O)C1=CC=CS1)C1=NNN=N1	REAL000000000320	1	40	0.0	-15.38	343.79	1.45	-13.93
CCCC(NC(=O)CCCNC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000000321	0	45	-1.0	-49.29	376.96	3.59	-45.70
CCCC(NC(=O)CCCNC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000000321	1	45	-1.0	-49.28	376.90	3.58	-45.70
CCCC(NC(=O)CCCNC(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000000321	1	46	0.0	-15.70	380.33	3.60	-12.10
CCCC(NC(=O)CC1=CC(C(C)=O)=CC=C1OC)C1=NN=N[N-]1	REAL000000000322	0	44	-1.0	-56.06	369.83	4.20	-51.87
CCCC(NC(=O)CC1=CC(C(C)=O)=CC=C1OC)C1=N[N-]N=N1	REAL000000000322	1	44	-1.0	-56.06	369.77	4.20	-51.87
CCCC(NC(=O)CC1=CC(C(C)=O)=CC=C1OC)C1=NNN=N1	REAL000000000322	1	45	0.0	-13.96	366.04	3.88	-10.08
CCCC(NC(=O)CCC1=CC=C(CC)C=C1)C1=NN=N[N-]1	REAL000000000323	0	44	-1.0	-45.08	363.27	6.55	-38.53
CCCC(NC(=O)CCC1=CC=C(CC)C=C1)C1=N[N-]N=N1	REAL000000000323	1	44	-1.0	-45.08	363.21	6.55	-38.52
CCCC(NC(=O)CCC1=CC=C(CC)C=C1)C1=NNN=N1	REAL000000000323	1	45	0.0	-9.96	366.64	6.56	-3.40
CCCC(NC(=O)CCC1=CC=CC(OC)=C1OC)C1=NN=N[N-]1	REAL000000000324	0	46	-1.0	-46.86	379.43	4.40	-42.46
CCCC(NC(=O)CCC1=CC=CC(OC)=C1OC)C1=N[N-]N=N1	REAL000000000324	1	46	-1.0	-46.86	379.37	4.40	-42.46
CCCC(NC(=O)CCC1=CC=CC(OC)=C1OC)C1=NNN=N1	REAL000000000324	1	47	0.0	-13.22	382.80	4.41	-8.81
CCCC(NC(=O)C1=CC=C2C=C(OC)C=CC2=C1)C1=NN=N[N-]1	REAL000000000325	0	42	-1.0	-47.89	349.85	5.21	-42.68
CCCC(NC(=O)C1=CC=C2C=C(OC)C=CC2=C1)C1=N[N-]N=N1	REAL000000000325	1	42	-1.0	-47.89	349.80	5.21	-42.68
CCCC(NC(=O)C1=CC=C2C=C(OC)C=CC2=C1)C1=NNN=N1	REAL000000000325	1	43	0.0	-9.32	346.03	4.89	-4.43
CCCC(NC(=O)C1=CC(Br)=CC=C1F)C1=NN=N[N-]1	REAL000000000326	0	32	-1.0	-47.21	300.20	4.35	-42.87
CCCC(NC(=O)C1=CC(Br)=CC=C1F)C1=N[N-]N=N1	REAL000000000326	1	32	-1.0	-47.21	300.14	4.34	-42.88
CCCC(NC(=O)C1=CC(Br)=CC=C1F)C1=NNN=N1	REAL000000000326	1	33	0.0	-11.54	303.57	4.35	-7.18
CCCC(NC(=O)C(C)NC1=NS(=O)(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000000327	0	44	-1.0	-49.88	382.57	0.81	-49.08
CCCC(NC(=O)C(C)NC1=NS(=O)(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000000327	1	44	-1.0	-49.87	382.51	0.80	-49.07
CCCC(NC(=O)C(C)NC1=NS(=O)(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000000327	1	45	0.0	-20.16	385.94	0.82	-19.34
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL000000000328	0	41	-1.0	-52.30	373.90	0.43	-51.88
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL000000000328	1	41	-1.0	-52.30	373.84	0.43	-51.87
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(C#N)C=C1)C1=NNN=N1	REAL000000000328	1	42	0.0	-18.91	377.26	0.44	-18.47
CCCC(NC(=O)CSCC1=C(C)ON=C1C)C1=NN=N[N-]1	REAL000000000329	0	41	-1.0	-50.84	360.53	4.48	-46.36
CCCC(NC(=O)CSCC1=C(C)ON=C1C)C1=N[N-]N=N1	REAL000000000329	1	41	-1.0	-50.84	360.48	4.47	-46.37
CCCC(NC(=O)CSCC1=C(C)ON=C1C)C1=NNN=N1	REAL000000000329	1	42	0.0	-16.72	363.91	4.49	-12.23
CCCC(NC(=O)C1=C(CSC)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL000000000330	0	42	-1.0	-46.60	368.08	5.94	-40.65
CCCC(NC(=O)C1=C(CSC)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL000000000330	1	42	-1.0	-46.60	368.02	5.93	-40.66
CCCC(NC(=O)C1=C(CSC)C2=CC=CC=C2O1)C1=NNN=N1	REAL000000000330	1	43	0.0	-10.91	371.45	5.95	-4.96
CCCC(NC(=O)CCCNC1=NS(=O)(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000000331	0	47	-1.0	-57.48	406.67	1.44	-56.04
CCCC(NC(=O)CCCNC1=NS(=O)(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000000331	1	47	-1.0	-57.47	406.61	1.43	-56.05
CCCC(NC(=O)CCCNC1=NS(=O)(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000000331	1	48	0.0	-25.10	410.04	1.44	-23.65
CCCC(NC(=O)C1=CC(Cl)=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL000000000332	0	40	-1.0	-43.30	352.96	3.54	-39.76
CCCC(NC(=O)C1=CC(Cl)=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL000000000332	1	40	-1.0	-43.30	352.90	3.53	-39.77
CCCC(NC(=O)C1=CC(Cl)=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000000332	1	41	0.0	-10.77	356.33	3.55	-7.22
CCCC(NC(=O)CSCC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000000333	0	39	-1.0	-48.03	349.81	5.76	-42.27
CCCC(NC(=O)CSCC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000000333	1	39	-1.0	-48.03	349.76	5.75	-42.28
CCCC(NC(=O)CSCC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000000333	1	40	0.0	-10.97	346.02	5.44	-5.54
CCCC(NC(=O)CSCC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL000000000334	0	42	-1.0	-48.23	364.81	6.36	-41.87
CCCC(NC(=O)CSCC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL000000000334	1	42	-1.0	-48.22	364.76	6.35	-41.87
CCCC(NC(=O)CSCC1=CC=CC(C)=C1)C1=NNN=N1	REAL000000000334	1	43	0.0	-13.30	368.19	6.37	-6.92
CCCC(NC(=O)C1=CC=C(C=NOC)C=C1)C1=NN=N[N-]1	REAL000000000335	0	39	-1.0	-46.52	337.79	3.76	-42.77
CCCC(NC(=O)C1=CC=C(C=NOC)C=C1)C1=N[N-]N=N1	REAL000000000335	1	39	-1.0	-46.51	337.73	3.76	-42.75
CCCC(NC(=O)C1=CC=C(C=NOC)C=C1)C1=NNN=N1	REAL000000000335	1	40	0.0	-9.27	333.99	3.44	-5.82
CCCCOC1=CC=C(C=CC(=O)NC(CCC)C2=NN=N[N-]2)C=C1OC	REAL000000000336	0	53	-1.0	-48.36	432.36	6.60	-41.76
CCCCOC1=CC=C(C=CC(=O)NC(CCC)C2=N[N-]N=N2)C=C1OC	REAL000000000336	1	53	-1.0	-48.35	432.31	6.60	-41.75
CCCCOC1=CC=C(C=CC(=O)NC(CCC)C2=NNN=N2)C=C1OC	REAL000000000336	1	54	0.0	-14.15	435.74	6.61	-7.54
CCCOC1=C(Cl)C=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1OCC	REAL000000000337	0	49	-1.0	-43.62	418.16	6.23	-37.40
CCCOC1=C(Cl)C=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1OCC	REAL000000000337	1	49	-1.0	-43.62	418.11	6.22	-37.41
CCCOC1=C(Cl)C=C(C(=O)NC(CCC)C2=NNN=N2)C=C1OCC	REAL000000000337	1	50	0.0	-10.49	421.54	6.23	-4.26
CCCC(NC(=O)C1CC(=O)N(C(C)C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000000338	0	49	-1.0	-50.99	394.34	6.14	-44.85
CCCC(NC(=O)C1CC(=O)N(C(C)C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000000338	1	49	-1.0	-50.98	394.28	6.13	-44.86
CCCC(NC(=O)C1CC(=O)N(C(C)C2=CC=CC=C2)C1)C1=NNN=N1	REAL000000000338	1	50	0.0	-12.73	390.52	5.81	-6.93
CCCC(NC(=O)CC1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL000000000339	0	45	-1.0	-47.32	361.67	6.81	-40.51
CCCC(NC(=O)CC1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL000000000339	1	45	-1.0	-47.32	361.62	6.81	-40.51
CCCC(NC(=O)CC1=CC=C2CCCCC2=C1)C1=NNN=N1	REAL000000000339	1	46	0.0	-11.75	365.06	6.82	-4.92
CCCC(NC(=O)CCCN(C)S(=O)(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000000340	0	49	-1.0	-53.80	423.23	3.41	-50.40
CCCC(NC(=O)CCCN(C)S(=O)(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000000340	1	49	-1.0	-53.80	423.17	3.41	-50.39
CCCC(NC(=O)CCCN(C)S(=O)(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000000340	1	50	0.0	-19.89	426.61	3.42	-16.48
CCCOC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1OCCC	REAL000000000341	0	52	-1.0	-47.82	419.67	6.36	-41.46
CCCOC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1OCCC	REAL000000000341	1	52	-1.0	-47.82	419.62	6.36	-41.46
CCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1OCCC	REAL000000000341	1	53	0.0	-13.30	423.05	6.37	-6.94
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC=C2F)O1)C1=NN=N[N-]1	REAL000000000342	0	43	-1.0	-51.17	379.44	6.90	-44.27
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC=C2F)O1)C1=N[N-]N=N1	REAL000000000342	1	43	-1.0	-51.17	379.38	6.89	-44.28
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC=C2F)O1)C1=NNN=N1	REAL000000000342	1	44	0.0	-13.55	382.81	6.91	-6.64
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NCCOC)=C1)C1=NN=N[N-]1	REAL000000000343	0	47	-1.0	-55.12	405.33	-0.23	-55.35
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NCCOC)=C1)C1=N[N-]N=N1	REAL000000000343	1	47	-1.0	-55.12	405.28	-0.23	-55.35
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NCCOC)=C1)C1=NNN=N1	REAL000000000343	1	48	0.0	-20.02	408.71	-0.23	-20.25
CCCC(NC(=O)CSC1=NC=CN1C1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL000000000344	0	49	-1.0	-48.31	417.67	7.90	-40.41
CCCC(NC(=O)CSC1=NC=CN1C1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL000000000344	1	49	-1.0	-48.32	417.61	7.90	-40.42
CCCC(NC(=O)CSC1=NC=CN1C1=CC=C(C)C(C)=C1)C1=NNN=N1	REAL000000000344	1	50	0.0	-13.36	421.73	7.95	-5.41
CCCC(NC(=O)CSC1=NC=CN1C1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL000000000345	0	47	-1.0	-48.84	408.83	6.00	-42.84
CCCC(NC(=O)CSC1=NC=CN1C1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL000000000345	1	47	-1.0	-48.85	408.77	5.99	-42.85
CCCC(NC(=O)CSC1=NC=CN1C1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000000345	1	48	0.0	-14.17	412.23	6.01	-8.15
CCCCOC1=CC=C(C(=O)NCC(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000000346	0	52	-1.0	-44.18	427.58	3.99	-40.19
CCCCOC1=CC=C(C(=O)NCC(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000000346	1	52	-1.0	-44.18	427.52	3.99	-40.19
CCCCOC1=CC=C(C(=O)NCC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000000346	1	53	0.0	-12.40	430.96	4.00	-8.40
CCCC(NC(=O)CSCC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000000347	0	39	-1.0	-47.53	364.70	6.31	-41.22
CCCC(NC(=O)CSCC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000000347	1	39	-1.0	-47.53	364.64	6.30	-41.23
CCCC(NC(=O)CSCC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000000347	1	40	0.0	-13.42	368.08	6.32	-7.10
CCCC(NC(=O)CCCC1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL000000000348	0	43	-1.0	-53.29	373.54	5.33	-47.97
CCCC(NC(=O)CCCC1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL000000000348	1	43	-1.0	-53.29	373.49	5.33	-47.96
CCCC(NC(=O)CCCC1=NC2=CC=CC=C2S1)C1=NNN=N1	REAL000000000348	1	44	0.0	-16.34	376.92	5.34	-11.00
CCCC(NC(=O)C(C)NC(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000000349	0	42	-1.0	-44.60	369.60	3.51	-41.09
CCCC(NC(=O)C(C)NC(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000000349	1	42	-1.0	-44.59	369.55	3.50	-41.09
CCCC(NC(=O)C(C)NC(=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000349	1	43	0.0	-9.01	365.81	3.19	-5.82
CCCC(NC(=O)CCCNC(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000000350	0	45	-1.0	-47.66	393.68	4.10	-43.56
CCCC(NC(=O)CCCNC(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000000350	1	45	-1.0	-47.66	393.62	4.09	-43.57
CCCC(NC(=O)CCCNC(=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000350	1	46	0.0	-14.67	397.05	4.11	-10.56
CCCC(NC(=O)CN1C(=O)C2CCCCC2C1=O)C1=NN=N[N-]1	REAL000000000351	0	45	-1.0	-51.87	366.99	3.60	-48.27
CCCC(NC(=O)CN1C(=O)C2CCCCC2C1=O)C1=N[N-]N=N1	REAL000000000351	1	45	-1.0	-51.87	366.93	3.59	-48.27
CCCC(NC(=O)CN1C(=O)C2CCCCC2C1=O)C1=NNN=N1	REAL000000000351	1	46	0.0	-15.02	370.32	3.62	-11.40
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(C)=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000000352	0	49	-1.0	-49.34	399.12	8.16	-41.18
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(C)=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000000352	1	49	-1.0	-49.34	399.06	8.15	-41.19
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(C)=C2)C(C)=C1)C1=NNN=N1	REAL000000000352	1	50	0.0	-11.48	405.72	8.28	-3.21
CCCCOC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1OC	REAL000000000353	0	49	-1.0	-47.82	397.82	5.41	-42.40
CCCCOC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1OC	REAL000000000353	1	49	-1.0	-47.81	397.76	5.41	-42.40
CCCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1OC	REAL000000000353	1	50	0.0	-13.56	401.20	5.42	-8.14
CCCC(NC(=O)CCCOC1=CC=C(Cl)C(C)=C1)C1=NN=N[N-]1	REAL000000000354	0	45	-1.0	-47.92	385.80	5.84	-42.08
CCCC(NC(=O)CCCOC1=CC=C(Cl)C(C)=C1)C1=N[N-]N=N1	REAL000000000354	1	45	-1.0	-47.91	385.74	5.84	-42.07
CCCC(NC(=O)CCCOC1=CC=C(Cl)C(C)=C1)C1=NNN=N1	REAL000000000354	1	46	0.0	-10.40	381.99	5.52	-4.88
CCCC(NC(=O)CSC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL000000000355	0	38	-1.0	-46.64	345.70	5.46	-41.18
CCCC(NC(=O)CSC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL000000000355	1	38	-1.0	-46.64	345.64	5.46	-41.17
CCCC(NC(=O)CSC1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000000355	1	39	0.0	-15.79	349.07	5.47	-10.32
CCCC(NC(=O)CCC(=O)C1=CC=C(OCC)C=C1)C1=NN=N[N-]1	REAL000000000356	0	47	-1.0	-45.07	391.75	5.21	-39.86
CCCC(NC(=O)CCC(=O)C1=CC=C(OCC)C=C1)C1=N[N-]N=N1	REAL000000000356	1	47	-1.0	-45.06	391.69	5.21	-39.85
CCCC(NC(=O)CCC(=O)C1=CC=C(OCC)C=C1)C1=NNN=N1	REAL000000000356	1	48	0.0	-10.00	387.94	4.90	-5.10
CCCC(NC(=O)COC1=CC=C2C=CC=CC2=C1)C1=NN=N[N-]1	REAL000000000357	0	42	-1.0	-51.43	353.91	6.46	-44.97
CCCC(NC(=O)COC1=CC=C2C=CC=CC2=C1)C1=N[N-]N=N1	REAL000000000357	1	42	-1.0	-51.43	353.86	6.45	-44.98
CCCC(NC(=O)COC1=CC=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000000357	1	43	0.0	-16.28	357.29	6.46	-9.82
CCCC(NC(=O)CCSC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000000358	0	39	-1.0	-45.23	339.17	5.60	-39.63
CCCC(NC(=O)CCSC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000000358	1	39	-1.0	-45.22	339.11	5.59	-39.63
CCCC(NC(=O)CCSC1=CC=CC=C1)C1=NNN=N1	REAL000000000358	1	40	0.0	-10.76	342.55	5.60	-5.16
CCCC(NC(=O)C1=CC=C(N2CCC(C)CC2)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000000359	0	52	-1.0	-50.54	418.00	7.53	-43.01
CCCC(NC(=O)C1=CC=C(N2CCC(C)CC2)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000000359	1	52	-1.0	-50.54	417.94	7.53	-43.01
CCCC(NC(=O)C1=CC=C(N2CCC(C)CC2)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000359	1	53	0.0	-17.98	421.38	7.54	-10.44
CCCC(NC(=O)CCSC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000000360	0	42	-1.0	-45.29	360.58	6.27	-39.02
CCCC(NC(=O)CCSC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000000360	1	42	-1.0	-45.28	360.52	6.27	-39.02
CCCC(NC(=O)CCSC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000000360	1	43	0.0	-8.04	356.78	5.95	-2.09
CCCC(NC(=O)COC1=CC=C2C(C)=CC(=O)OC2=C1)C1=NN=N[N-]1	REAL000000000361	0	44	-1.0	-59.18	373.73	6.29	-52.89
CCCC(NC(=O)COC1=CC=C2C(C)=CC(=O)OC2=C1)C1=N[N-]N=N1	REAL000000000361	1	44	-1.0	-59.17	373.67	6.28	-52.89
CCCC(NC(=O)COC1=CC=C2C(C)=CC(=O)OC2=C1)C1=NNN=N1	REAL000000000361	1	45	0.0	-26.05	377.10	6.30	-19.75
CCCC(NC(=O)C(CC)OC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000000362	0	42	-1.0	-49.01	340.36	5.40	-43.61
CCCC(NC(=O)C(CC)OC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000000362	1	42	-1.0	-49.01	340.31	5.40	-43.61
CCCC(NC(=O)C(CC)OC1=CC=CC=C1)C1=NNN=N1	REAL000000000362	1	43	0.0	-13.87	343.74	5.41	-8.45
CCCC(NC(=O)CSC1=NN=NN1C1=CC(C)=CC=C1C)C1=NN=N[N-]1	REAL000000000363	0	47	-1.0	-46.16	409.13	5.75	-40.41
CCCC(NC(=O)CSC1=NN=NN1C1=CC(C)=CC=C1C)C1=N[N-]N=N1	REAL000000000363	1	47	-1.0	-46.16	409.07	5.75	-40.40
CCCC(NC(=O)CSC1=NN=NN1C1=CC(C)=CC=C1C)C1=NNN=N1	REAL000000000363	1	48	0.0	-11.78	405.31	5.44	-6.34
CCCC(NC(=O)CSC1=NN=C(C2=CC=C(Cl)C=C2)O1)C1=NN=N[N-]1	REAL000000000364	0	41	-1.0	-44.43	388.86	1.38	-43.06
CCCC(NC(=O)CSC1=NN=C(C2=CC=C(Cl)C=C2)O1)C1=N[N-]N=N1	REAL000000000364	1	41	-1.0	-44.43	388.81	1.38	-43.05
CCCC(NC(=O)CSC1=NN=C(C2=CC=C(Cl)C=C2)O1)C1=NNN=N1	REAL000000000364	1	42	0.0	-12.13	392.24	1.39	-10.74
CCCC(NC(=O)C1=CC=C(OC(F)F)C=C1)C1=NN=N[N-]1	REAL000000000365	0	36	-1.0	-47.31	313.50	3.23	-44.08
CCCC(NC(=O)C1=CC=C(OC(F)F)C=C1)C1=N[N-]N=N1	REAL000000000365	1	36	-1.0	-47.31	313.44	3.23	-44.08
CCCC(NC(=O)C1=CC=C(OC(F)F)C=C1)C1=NNN=N1	REAL000000000365	1	37	0.0	-12.15	316.88	3.24	-8.90
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL000000000366	0	49	-1.0	-49.98	413.56	1.87	-48.10
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL000000000366	1	49	-1.0	-49.97	413.50	1.88	-48.09
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=C(C)C(C)=C1)C1=NNN=N1	REAL000000000366	1	50	0.0	-17.92	416.94	1.89	-16.04
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL000000000367	0	46	-1.0	-51.48	391.51	1.25	-50.24
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL000000000367	1	46	-1.0	-51.47	391.45	1.24	-50.24
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(C)C(C)=C1)C1=NNN=N1	REAL000000000367	1	47	0.0	-16.43	394.87	1.26	-15.17
CCCC(NC(=O)COC1=CC(C)=CC=C1Cl)C1=NN=N[N-]1	REAL000000000368	0	39	-1.0	-51.07	345.33	5.43	-45.64
CCCC(NC(=O)COC1=CC(C)=CC=C1Cl)C1=N[N-]N=N1	REAL000000000368	1	39	-1.0	-51.07	345.27	5.42	-45.65
CCCC(NC(=O)COC1=CC(C)=CC=C1Cl)C1=NNN=N1	REAL000000000368	1	40	0.0	-15.83	348.71	5.44	-10.39
CCCC(NC(=O)COC1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL000000000369	0	43	-1.0	-49.94	353.45	6.13	-43.80
CCCC(NC(=O)COC1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL000000000369	1	43	-1.0	-49.94	353.40	6.13	-43.81
CCCC(NC(=O)COC1=CC=C2CCCC2=C1)C1=NNN=N1	REAL000000000369	1	44	0.0	-14.67	356.80	6.14	-8.53
CCCC(NC(=O)CC1OC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000000370	0	39	-1.0	-52.49	336.27	5.24	-47.24
CCCC(NC(=O)CC1OC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000000370	1	39	-1.0	-52.49	336.21	5.25	-47.25
CCCC(NC(=O)CC1OC(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000000370	1	40	0.0	-19.15	339.66	5.21	-13.94
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C=C1C)C1=NN=N[N-]1	REAL000000000371	0	42	-1.0	-47.55	361.34	6.07	-41.48
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C=C1C)C1=N[N-]N=N1	REAL000000000371	1	42	-1.0	-47.55	361.29	6.07	-41.48
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C=C1C)C1=NNN=N1	REAL000000000371	1	43	0.0	-9.69	357.52	5.65	-4.04
CCCC(NC(=O)CCC(=O)C1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL000000000372	0	37	-1.0	-43.50	348.49	4.68	-38.83
CCCC(NC(=O)CCC(=O)C1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL000000000372	1	37	-1.0	-43.50	348.43	4.67	-38.84
CCCC(NC(=O)CCC(=O)C1=CC=C(Cl)S1)C1=NNN=N1	REAL000000000372	1	38	0.0	-9.92	351.86	4.68	-5.24
CCCC(NC(=O)C1=CC=C2SCC(=O)NC2=C1)C1=NN=N[N-]1	REAL000000000373	0	38	-1.0	-47.39	334.30	2.68	-44.72
CCCC(NC(=O)C1=CC=C2SCC(=O)NC2=C1)C1=N[N-]N=N1	REAL000000000373	1	38	-1.0	-47.39	334.24	2.67	-44.72
CCCC(NC(=O)C1=CC=C2SCC(=O)NC2=C1)C1=NNN=N1	REAL000000000373	1	39	0.0	-14.23	337.69	2.69	-11.54
CCCCN1C(=O)C2=CC=C(C(=O)NC(CCC)C3=NN=N[N-]3)C=C2C1=O	REAL000000000374	0	48	-1.0	-47.85	405.03	5.45	-42.40
CCCCN1C(=O)C2=CC=C(C(=O)NC(CCC)C3=N[N-]N=N3)C=C2C1=O	REAL000000000374	1	48	-1.0	-47.84	404.97	5.45	-42.40
CCCCN1C(=O)C2=CC=C(C(=O)NC(CCC)C3=NNN=N3)C=C2C1=O	REAL000000000374	1	49	0.0	-11.99	401.22	5.14	-6.86
CCCOC1=CC=C(OCC(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000000375	0	46	-1.0	-49.07	380.75	5.26	-43.82
CCCOC1=CC=C(OCC(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000000375	1	46	-1.0	-49.07	380.69	5.26	-43.81
CCCOC1=CC=C(OCC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000000375	1	47	0.0	-14.85	384.12	5.26	-9.59
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1)C1=NN=N[N-]1	REAL000000000376	0	48	-1.0	-50.13	402.66	1.24	-48.90
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1)C1=N[N-]N=N1	REAL000000000376	1	48	-1.0	-50.13	402.61	1.23	-48.90
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1)C1=NNN=N1	REAL000000000376	1	49	0.0	-13.23	398.87	0.91	-12.32
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1)C1=NN=N[N-]1	REAL000000000377	0	50	-1.0	-49.20	411.42	3.67	-45.54
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1)C1=N[N-]N=N1	REAL000000000377	1	50	-1.0	-49.21	411.36	3.66	-45.55
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1)C1=NNN=N1	REAL000000000377	1	51	0.0	-11.86	407.62	3.34	-8.52
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(CC)CC)C=C1)C1=NN=N[N-]1	REAL000000000378	0	49	-1.0	-47.82	411.04	3.39	-44.44
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(CC)CC)C=C1)C1=N[N-]N=N1	REAL000000000378	1	49	-1.0	-47.81	410.98	3.39	-44.43
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(CC)CC)C=C1)C1=NNN=N1	REAL000000000378	1	50	0.0	-15.69	414.42	3.40	-12.29
CCCC(NC(=O)CSC1=CC=C(Br)C=C1C)C1=NN=N[N-]1	REAL000000000379	0	39	-1.0	-44.89	357.28	5.99	-38.90
CCCC(NC(=O)CSC1=CC=C(Br)C=C1C)C1=N[N-]N=N1	REAL000000000379	1	39	-1.0	-44.89	357.23	5.98	-38.91
CCCC(NC(=O)CSC1=CC=C(Br)C=C1C)C1=NNN=N1	REAL000000000379	1	40	0.0	-11.77	360.66	6.00	-5.77
CCCC(NC(=O)C1=CC2=CC=CC=C2OC1=O)C1=NN=N[N-]1	REAL000000000380	0	37	-1.0	-51.01	321.16	5.10	-45.91
CCCC(NC(=O)C1=CC=C(OCC)C(OCC)=C1)C1=NN=N[N-]1	REAL000000000381	0	46	-1.0	-48.27	376.68	4.75	-43.53
CCCC(NC(=O)C1=CC=C(OCC)C(OCC)=C1)C1=N[N-]N=N1	REAL000000000381	1	46	-1.0	-48.28	376.62	4.75	-43.53
CCCC(NC(=O)C1=CC=C(OCC)C(OCC)=C1)C1=NNN=N1	REAL000000000381	1	47	0.0	-13.80	380.06	4.75	-9.04
CCCC(NC(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000000382	0	38	-1.0	-52.64	329.74	4.43	-48.21
CCCC(NC(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000000382	1	38	-1.0	-52.62	329.68	4.42	-48.21
CCCC(NC(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000382	1	39	0.0	-20.14	333.12	4.44	-15.71
CCCC(NC(=O)C1CCC(C(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000000383	0	50	-1.0	-44.99	362.41	5.80	-39.19
CCCC(NC(=O)C1CCC(C(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000000383	1	50	-1.0	-45.00	362.34	5.79	-39.21
CCCC(NC(=O)C1CCC(C(C)(C)C)CC1)C1=NNN=N1	REAL000000000383	1	51	0.0	-8.58	365.78	5.81	-2.78
CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1C)C1=NN=N[N-]1	REAL000000000384	0	37	-1.0	-47.68	312.64	4.83	-42.84
CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1C)C1=N[N-]N=N1	REAL000000000384	1	37	-1.0	-47.67	312.59	4.83	-42.85
CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1C)C1=NNN=N1	REAL000000000384	1	38	0.0	-11.67	308.83	4.51	-7.15
CCCC(NC(=O)CC(C1=CC=CC=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000000385	0	48	-1.0	-47.85	387.78	8.20	-39.65
CCCC(NC(=O)CC(C1=CC=CC=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000000385	1	48	-1.0	-47.85	387.72	8.21	-39.65
CCCC(NC(=O)CC(C1=CC=CC=C1)C1=CC=CC=C1)C1=NNN=N1	REAL000000000385	1	49	0.0	-11.64	391.16	8.22	-3.42
CCCC(NC(=O)C1=CC(F)=C(F)C=C1Cl)C1=NN=N[N-]1	REAL000000000386	0	32	-1.0	-41.71	299.55	4.30	-37.41
CCCC(NC(=O)C1=CC(F)=C(F)C=C1Cl)C1=N[N-]N=N1	REAL000000000386	1	32	-1.0	-41.71	299.50	4.29	-37.42
CCCC(NC(=O)C1=CC(F)=C(F)C=C1Cl)C1=NNN=N1	REAL000000000386	1	33	0.0	-9.46	302.93	4.30	-5.16
CCCC(NC(=O)COC1=CC(C)=CC(C)=C1)C1=NN=N[N-]1	REAL000000000387	0	42	-1.0	-49.45	350.71	5.56	-43.89
CCCC(NC(=O)COC1=CC(C)=CC(C)=C1)C1=N[N-]N=N1	REAL000000000387	1	42	-1.0	-49.45	350.66	5.56	-43.89
CCCC(NC(=O)COC1=CC(C)=CC(C)=C1)C1=NNN=N1	REAL000000000387	1	43	0.0	-14.30	354.09	5.57	-8.73
CCCC(NC(=O)COC1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000000388	0	39	-1.0	-50.17	346.61	5.21	-44.95
CCCC(NC(=O)COC1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000000388	1	39	-1.0	-50.16	346.55	5.21	-44.95
CCCC(NC(=O)COC1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000000388	1	40	0.0	-16.23	349.98	5.22	-11.00
CCCC(NC(=O)COC1=CC=CC=C1OC)C1=NN=N[N-]1	REAL000000000389	0	40	-1.0	-53.82	337.14	3.99	-49.83
CCCC(NC(=O)COC1=CC=CC=C1OC)C1=N[N-]N=N1	REAL000000000389	1	40	-1.0	-53.83	337.09	3.98	-49.84
CCCC(NC(=O)COC1=CC=CC=C1OC)C1=NNN=N1	REAL000000000389	1	41	0.0	-17.72	340.52	4.00	-13.72
CCCC(NC(=O)CNC(=O)C1=CC=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL000000000390	0	47	-1.0	-46.36	391.94	1.39	-44.97
CCCC(NC(=O)CNC(=O)C1=CC=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL000000000390	1	47	-1.0	-46.36	391.88	1.39	-44.96
CCCC(NC(=O)CNC(=O)C1=CC=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000000390	1	48	0.0	-15.04	395.31	1.40	-13.64
CCCC(NC(=O)CNC(=O)C1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000000391	0	51	-1.0	-44.37	409.44	4.48	-39.89
CCCC(NC(=O)CNC(=O)C1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000000391	1	51	-1.0	-44.36	409.38	4.48	-39.88
CCCC(NC(=O)CNC(=O)C1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000000391	1	52	0.0	-11.76	412.81	4.49	-7.27
CCCC(NC(=O)COC1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL000000000392	0	42	-1.0	-49.63	346.30	5.42	-44.21
CCCC(NC(=O)COC1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL000000000392	1	42	-1.0	-49.63	346.24	5.42	-44.21
CCCC(NC(=O)COC1=CC=C(C)C(C)=C1)C1=NNN=N1	REAL000000000392	1	43	0.0	-14.40	349.67	5.43	-8.97
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000000393	0	43	-1.0	-51.48	374.47	0.71	-50.76
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000000393	1	43	-1.0	-51.47	374.41	0.70	-50.77
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000000393	1	44	0.0	-16.43	377.86	0.72	-15.71
CCCC(NC(=O)COC1=CC=C(C(=O)C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000000394	0	48	-1.0	-50.57	404.46	7.47	-43.10
CCCC(NC(=O)COC1=CC=C(C(=O)C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000000394	1	48	-1.0	-50.57	404.40	7.47	-43.10
CCCC(NC(=O)COC1=CC=C(C(=O)C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000000394	1	49	0.0	-17.45	407.84	7.47	-9.97
CCCC(NC(=O)C1=CC(OC)=CC=C1OC)C1=NN=N[N-]1	REAL000000000395	0	40	-1.0	-51.55	331.12	3.50	-48.05
CCCC(NC(=O)C1=CC(OC)=CC=C1OC)C1=N[N-]N=N1	REAL000000000395	1	40	-1.0	-51.55	331.07	3.51	-48.04
CCCC(NC(=O)C1=CC(OC)=CC=C1OC)C1=NNN=N1	REAL000000000395	1	41	0.0	-10.69	327.30	3.08	-7.61
CCCC(NC(=O)C1=NNC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000000396	0	37	-1.0	-43.33	317.89	1.52	-41.81
CCCC(NC(=O)C1=NNC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000000396	1	37	-1.0	-43.33	317.83	1.51	-41.82
CCCC(NC(=O)C1=NNC(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000000396	1	38	0.0	-11.00	321.27	1.53	-9.48
CCCC(NC(=O)COC1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL000000000397	0	36	-1.0	-49.39	340.65	5.26	-44.13
CCCC(NC(=O)COC1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL000000000397	1	36	-1.0	-49.38	340.60	5.26	-44.13
CCCC(NC(=O)COC1=CC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000000397	1	37	0.0	-15.56	344.03	5.28	-10.28
CCCC(NC(=O)C1=CC=CC=C1Br)C1=NN=N[N-]1	REAL000000000398	0	32	-1.0	-47.83	290.62	4.27	-43.56
CCCC(NC(=O)C1=CC=CC=C1Br)C1=N[N-]N=N1	REAL000000000398	1	32	-1.0	-47.83	290.57	4.28	-43.55
CCCC(NC(=O)C1=CC=CC=C1Br)C1=NNN=N1	REAL000000000398	1	33	0.0	-11.85	294.00	4.29	-7.57
CCCC(NC(=O)CN1C=NC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL000000000399	0	40	-1.0	-60.58	344.63	4.82	-55.77
CCCC(NC(=O)CN1C=NC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL000000000399	1	40	-1.0	-60.57	344.58	4.82	-55.75
CCCC(NC(=O)CN1C=NC2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000000399	1	41	0.0	-17.92	340.82	4.51	-13.41
CCCC(NC(=O)CCC(=O)N1CCOCC1)C1=NN=N[N-]1	REAL000000000400	0	43	-1.0	-45.18	348.94	1.26	-43.92
CCCC(NC(=O)CCC(=O)N1CCOCC1)C1=N[N-]N=N1	REAL000000000400	1	43	-1.0	-45.18	348.89	1.25	-43.93
CCCC(NC(=O)CCC(=O)N1CCOCC1)C1=NNN=N1	REAL000000000400	1	44	0.0	-12.24	352.33	1.26	-10.98
CCCC(NC(=O)C=CC1=CC=C(OC(F)F)C=C1)C1=NN=N[N-]1	REAL000000000401	0	40	-1.0	-48.37	348.05	4.42	-43.95
CCCC(NC(=O)C=CC1=CC=C(OC(F)F)C=C1)C1=N[N-]N=N1	REAL000000000401	1	40	-1.0	-48.37	348.00	4.42	-43.95
CCCC(NC(=O)C=CC1=CC=C(OC(F)F)C=C1)C1=NNN=N1	REAL000000000401	1	41	0.0	-10.42	344.22	4.10	-6.33
CCCC(NC(=O)CNC(=O)C1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000000402	0	42	-1.0	-42.97	372.01	3.14	-39.83
CCCC(NC(=O)CNC(=O)C1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000000402	1	42	-1.0	-42.96	371.96	3.14	-39.82
CCCC(NC(=O)CNC(=O)C1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000000402	1	43	0.0	-11.71	375.41	3.15	-8.56
CCCC(NC(=O)CNC(=O)C1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL000000000403	0	39	-1.0	-43.16	365.20	3.12	-40.03
CCCC(NC(=O)CNC(=O)C1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL000000000403	1	39	-1.0	-43.16	365.15	3.12	-40.04
CCCC(NC(=O)CNC(=O)C1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000000403	1	40	0.0	-11.03	368.58	3.13	-7.89
CCCC(NC(=O)CNC(=O)C1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL000000000404	0	43	-1.0	-46.44	362.80	1.46	-44.99
CCCC(NC(=O)CNC(=O)C1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL000000000404	1	43	-1.0	-46.44	362.75	1.45	-44.99
CCCC(NC(=O)CNC(=O)C1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000000404	1	44	0.0	-14.39	366.18	1.46	-12.93
CCCC(NC(=O)CNC(=O)C1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL000000000405	0	42	-1.0	-45.62	359.34	0.83	-44.79
CCCC(NC(=O)CNC(=O)C1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL000000000405	1	42	-1.0	-45.61	359.29	0.82	-44.79
CCCC(NC(=O)CNC(=O)C1=CC=C2OCOC2=C1)C1=NNN=N1	REAL000000000405	1	43	0.0	-14.40	362.72	0.83	-13.56
CCCC(NC(=O)CNC(=O)C1=CC(OC)=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL000000000406	0	51	-1.0	-45.82	425.11	1.34	-44.49
CCCC(NC(=O)CNC(=O)C1=CC(OC)=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL000000000406	1	51	-1.0	-45.83	425.05	1.33	-44.50
CCCC(NC(=O)CNC(=O)C1=CC(OC)=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000000406	1	52	0.0	-14.88	428.49	1.35	-13.53
CCCC(NC(=O)CNC(=O)C1=CC=C(Br)O1)C1=NN=N[N-]1	REAL000000000407	0	36	-1.0	-44.36	339.24	0.86	-43.50
CCCC(NC(=O)CNC(=O)C1=CC=C(Br)O1)C1=N[N-]N=N1	REAL000000000407	1	36	-1.0	-44.36	339.18	0.86	-43.49
CCCC(NC(=O)CNC(=O)C1=CC=C(Br)O1)C1=NNN=N1	REAL000000000407	1	37	0.0	-8.84	335.43	0.55	-8.29
CCCC(NC(=O)CNC(=O)C1=CC(OC)=CC(OC)=C1)C1=NN=N[N-]1	REAL000000000408	0	47	-1.0	-47.61	392.26	0.76	-46.85
CCCC(NC(=O)CNC(=O)C1=CC(OC)=CC(OC)=C1)C1=N[N-]N=N1	REAL000000000408	1	47	-1.0	-47.62	392.20	0.75	-46.86
CCCC(NC(=O)CNC(=O)C1=CC(OC)=CC(OC)=C1)C1=NNN=N1	REAL000000000408	1	48	0.0	-12.17	388.45	0.44	-11.73
CCCC(NC(=O)CNC(=O)C1=CC=C(OCC)C=C1)C1=NN=N[N-]1	REAL000000000409	0	46	-1.0	-44.61	384.58	2.40	-42.21
CCCC(NC(=O)CNC(=O)C1=CC=C(OCC)C=C1)C1=N[N-]N=N1	REAL000000000409	1	46	-1.0	-44.60	384.52	2.39	-42.21
CCCC(NC(=O)CNC(=O)C1=CC=C(OCC)C=C1)C1=NNN=N1	REAL000000000409	1	47	0.0	-10.70	380.77	2.09	-8.61
CCCC(NC(=O)C1CCCN(C(=O)OCC)C1)C1=NN=N[N-]1	REAL000000000410	0	46	-1.0	-46.38	370.15	3.48	-42.90
CCCC(NC(=O)C1CCCN(C(=O)OCC)C1)C1=N[N-]N=N1	REAL000000000410	1	46	-1.0	-46.39	370.09	3.47	-42.92
CCCC(NC(=O)C1CCCN(C(=O)OCC)C1)C1=NNN=N1	REAL000000000410	1	47	0.0	-9.72	366.34	3.15	-6.56
CCCC(NC(=O)CCN1C2=CC=CC=C2SC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000000411	0	49	-1.0	-45.81	410.99	8.42	-37.39
CCCC(NC(=O)CCN1C2=CC=CC=C2SC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000000411	1	49	-1.0	-45.81	410.93	8.41	-37.40
CCCC(NC(=O)CCN1C2=CC=CC=C2SC2=CC=CC=C21)C1=NNN=N1	REAL000000000411	1	50	0.0	-13.77	408.79	8.18	-5.59
CCCCOC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000000412	0	45	-1.0	-46.31	368.61	5.50	-40.81
CCCCOC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000000412	1	45	-1.0	-46.29	368.55	5.49	-40.80
CCCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000000412	1	46	0.0	-11.29	371.99	5.51	-5.79
CCCC(NC(=O)CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL000000000413	0	37	-1.0	-47.70	327.20	4.99	-42.71
CCCC(NC(=O)CC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL000000000413	1	37	-1.0	-47.69	327.14	4.99	-42.70
CCCC(NC(=O)CC1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000000413	1	38	0.0	-16.38	330.58	4.99	-11.39
CCCC(NC(=O)CCSC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL000000000414	0	39	-1.0	-44.77	354.19	6.06	-38.71
CCCC(NC(=O)CCSC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL000000000414	1	39	-1.0	-44.76	354.13	6.05	-38.71
CCCC(NC(=O)CCSC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000000414	1	40	0.0	-8.46	350.37	5.73	-2.73
CCCC(NC(=O)CNC(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C1=NN=N[N-]1	REAL000000000415	0	44	-1.0	-43.94	377.47	3.33	-40.61
CCCC(NC(=O)CNC(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C1=N[N-]N=N1	REAL000000000415	1	44	-1.0	-43.94	377.41	3.33	-40.61
CCCC(NC(=O)CNC(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C1=NNN=N1	REAL000000000415	1	45	0.0	-11.65	373.65	3.01	-8.64
CCCC(NC(=O)C1=C(C)C(C(=O)OCC)=C(C)N1)C1=NN=N[N-]1	REAL000000000416	0	45	-1.0	-49.60	379.06	4.31	-45.29
CCCC(NC(=O)C1=C(C)C(C(=O)OCC)=C(C)N1)C1=N[N-]N=N1	REAL000000000416	1	45	-1.0	-49.61	379.00	4.31	-45.29
CCCC(NC(=O)C1=C(C)C(C(=O)OCC)=C(C)N1)C1=NNN=N1	REAL000000000416	1	46	0.0	-15.32	382.44	4.32	-11.00
CCCC(NC(=O)CCN1C(=O)C2CCCCC2C1=O)C1=NN=N[N-]1	REAL000000000417	0	48	-1.0	-49.84	388.01	4.00	-45.84
CCCC(NC(=O)CCN1C(=O)C2CCCCC2C1=O)C1=N[N-]N=N1	REAL000000000417	1	48	-1.0	-49.83	387.96	3.99	-45.84
CCCC(NC(=O)CCN1C(=O)C2CCCCC2C1=O)C1=NNN=N1	REAL000000000417	1	49	0.0	-13.91	391.33	4.02	-9.90
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C)=C1)C1=NN=N[N-]1	REAL000000000418	0	40	-1.0	-47.66	332.13	4.63	-43.03
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C)=C1)C1=N[N-]N=N1	REAL000000000418	1	40	-1.0	-47.65	332.07	4.62	-43.03
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C)=C1)C1=NNN=N1	REAL000000000418	1	41	0.0	-13.06	335.50	4.64	-8.42
CCCC(NC(=O)C=CC1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000000419	0	38	-1.0	-50.57	337.08	5.51	-45.06
CCCC(NC(=O)C=CC1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000000419	1	38	-1.0	-50.57	337.02	5.50	-45.07
CCCC(NC(=O)C=CC1=CC=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000419	1	39	0.0	-17.24	340.45	5.52	-11.72
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C2=CC=CO2)=C1)C1=NN=N[N-]1	REAL000000000420	0	44	-1.0	-48.40	372.85	5.80	-42.60
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C2=CC=CO2)=C1)C1=N[N-]N=N1	REAL000000000420	1	44	-1.0	-48.39	372.79	5.80	-42.59
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C2=CC=CO2)=C1)C1=NNN=N1	REAL000000000420	1	45	0.0	-13.31	376.22	5.81	-7.50
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C2=CC=CC=N2)=C1)C1=NN=N[N-]1	REAL000000000421	0	46	-1.0	-49.73	384.71	6.14	-43.59
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C2=CC=CC=N2)=C1)C1=N[N-]N=N1	REAL000000000421	1	46	-1.0	-49.73	384.65	6.13	-43.60
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C2=CC=CC=N2)=C1)C1=NNN=N1	REAL000000000421	1	47	0.0	-13.19	388.08	6.15	-7.05
CCCC(NC(=O)CC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000000422	0	35	-1.0	-45.36	320.27	4.94	-40.42
CCCC(NC(=O)CC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000000422	1	35	-1.0	-45.36	320.22	4.93	-40.43
CCCC(NC(=O)CC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000000422	1	36	0.0	-8.95	316.46	4.61	-4.34
CCCC(NC(=O)CC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000000423	0	37	-1.0	-60.11	319.59	4.67	-55.44
CCCC(NC(=O)CC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000000423	1	37	-1.0	-60.11	319.53	4.66	-55.45
CCCC(NC(=O)CC1=CC=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000000423	1	38	0.0	-18.56	322.97	4.68	-13.88
CCCC(NC(=O)COC1=CC(Cl)=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL000000000424	0	36	-1.0	-46.94	355.82	5.73	-41.21
CCCC(NC(=O)COC1=CC(Cl)=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL000000000424	1	36	-1.0	-46.94	355.77	5.72	-41.21
CCCC(NC(=O)COC1=CC(Cl)=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000000424	1	37	0.0	-10.45	352.01	5.31	-5.13
CCCC(NC(=O)CNC(=O)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000000425	0	43	-1.0	-44.84	362.73	1.47	-43.38
CCCC(NC(=O)CNC(=O)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000000425	1	43	-1.0	-44.84	362.67	1.47	-43.37
CCCC(NC(=O)CNC(=O)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000000425	1	44	0.0	-10.92	358.91	1.15	-9.76
CCCC(NC(=O)C1=CC(=O)NC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000000426	0	38	-1.0	-46.04	321.08	2.72	-43.31
CCCC(NC(=O)C1=CC(=O)NC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000000426	1	38	-1.0	-46.03	321.02	2.71	-43.32
CCCC(NC(=O)C1=CC(=O)NC2=CC=CC=C21)C1=NNN=N1	REAL000000000426	1	39	0.0	-12.38	324.45	2.73	-9.64
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)N(CC)CC)=C1)C1=NN=N[N-]1	REAL000000000427	0	49	-1.0	-52.93	413.53	3.38	-49.55
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)N(CC)CC)=C1)C1=N[N-]N=N1	REAL000000000427	1	49	-1.0	-52.94	413.47	3.37	-49.56
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)N(CC)CC)=C1)C1=NNN=N1	REAL000000000427	1	50	0.0	-18.60	411.52	3.14	-15.46
CCCC(NC(=O)COC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000000428	0	50	-1.0	-50.41	419.16	7.48	-42.93
CCCC(NC(=O)COC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000000428	1	50	-1.0	-50.40	419.10	7.48	-42.92
CCCC(NC(=O)COC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000000428	1	51	0.0	-16.20	422.53	7.49	-8.71
CCCC(NC(=O)CCOC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000000429	0	42	-1.0	-45.38	350.25	4.65	-40.73
CCCC(NC(=O)CCOC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000000429	1	42	-1.0	-45.37	350.20	4.64	-40.74
CCCC(NC(=O)CCOC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000000429	1	43	0.0	-11.02	353.63	4.65	-6.36
CCCC(NC(=O)CCSC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000000430	0	39	-1.0	-43.77	355.90	6.12	-37.66
CCCC(NC(=O)CCSC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000000430	1	39	-1.0	-43.77	355.84	6.11	-37.66
CCCC(NC(=O)CCSC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000430	1	40	0.0	-10.14	359.28	6.13	-4.02
CCCC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL000000000431	0	49	-1.0	-52.55	417.99	6.84	-45.71
CCCC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL000000000431	1	49	-1.0	-52.55	417.93	6.83	-45.71
CCCC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C1=CC=CS1)C1=NNN=N1	REAL000000000431	1	50	0.0	-13.07	420.75	5.46	-7.61
CCCC(NC(=O)COC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000000432	0	40	-1.0	-49.56	337.39	3.51	-46.05
CCCC(NC(=O)COC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000000432	1	40	-1.0	-49.56	337.34	3.51	-46.05
CCCC(NC(=O)COC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000000432	1	41	0.0	-15.28	340.77	3.52	-11.76
CCCC(NC(=O)CCC1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL000000000433	0	40	-1.0	-46.87	352.04	4.55	-42.33
CCCC(NC(=O)CCC1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL000000000433	1	40	-1.0	-46.87	351.99	4.55	-42.32
CCCC(NC(=O)CCC1=NC2=CC=CC=C2S1)C1=NNN=N1	REAL000000000433	1	41	0.0	-13.35	355.42	4.56	-8.80
CCCC(NC(=O)COC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL000000000434	0	36	-1.0	-51.47	323.93	4.76	-46.71
CCCC(NC(=O)COC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL000000000434	1	36	-1.0	-51.47	323.87	4.75	-46.72
CCCC(NC(=O)COC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000000434	1	37	0.0	-16.21	327.31	4.77	-11.45
CCCC(NC(=O)CCSC1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL000000000435	0	45	-1.0	-45.70	377.57	6.81	-38.90
CCCC(NC(=O)CCSC1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL000000000435	1	45	-1.0	-45.69	377.51	6.80	-38.89
CCCC(NC(=O)CCSC1=CC=C(C)C(C)=C1)C1=NNN=N1	REAL000000000435	1	46	0.0	-11.02	380.94	6.82	-4.20
CCCC(NC(=O)C1=CC=C(C(=O)OC)C=C1)C1=NN=N[N-]1	REAL000000000436	0	38	-1.0	-46.62	329.10	4.31	-42.31
CCCC(NC(=O)C1=CC=C(C(=O)OC)C=C1)C1=N[N-]N=N1	REAL000000000436	1	38	-1.0	-46.61	329.05	4.30	-42.31
CCCC(NC(=O)C1=CC=C(C(=O)OC)C=C1)C1=NNN=N1	REAL000000000436	1	39	0.0	-13.51	332.48	4.31	-9.20
CCCC(NC(=O)C1=CC=C(COC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000000437	0	46	-1.0	-47.87	385.62	6.93	-40.95
CCCC(NC(=O)C1=CC=C(COC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000000437	1	46	-1.0	-47.88	385.56	6.92	-40.96
CCCC(NC(=O)C1=CC=C(COC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000000437	1	47	0.0	-12.65	389.00	6.94	-5.71
CCCC(NC(=O)C1=CC=CC(OCC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000000438	0	46	-1.0	-51.16	385.60	6.93	-44.23
CCCC(NC(=O)C1=CC=CC(OCC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000000438	1	46	-1.0	-51.17	385.54	6.92	-44.25
CCCC(NC(=O)C1=CC=CC(OCC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000000438	1	47	0.0	-14.71	388.97	6.94	-7.77
CCCC(NC(=O)CC1=CC=C(OCC)C=C1)C1=NN=N[N-]1	REAL000000000439	0	42	-1.0	-48.01	350.34	4.56	-43.45
CCCC(NC(=O)CC1=CC=C(OCC)C=C1)C1=N[N-]N=N1	REAL000000000439	1	42	-1.0	-48.01	350.28	4.55	-43.46
CCCC(NC(=O)CC1=CC=C(OCC)C=C1)C1=NNN=N1	REAL000000000439	1	43	0.0	-12.95	353.71	4.57	-8.38
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2C)C(C)=C1)C1=NN=N[N-]1	REAL000000000440	0	49	-1.0	-49.60	401.05	8.48	-41.13
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2C)C(C)=C1)C1=N[N-]N=N1	REAL000000000440	1	49	-1.0	-49.60	400.99	8.47	-41.14
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2C)C(C)=C1)C1=NNN=N1	REAL000000000440	1	50	0.0	-8.55	397.22	8.15	-0.39
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000000441	0	40	-1.0	-51.16	350.66	2.24	-48.92
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000000441	1	40	-1.0	-51.16	350.60	2.23	-48.92
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000441	1	41	0.0	-21.34	354.04	2.25	-19.08
CCCC(NC(=O)COC1=CC=C(OCC)C=C1)C1=NN=N[N-]1	REAL000000000442	0	43	-1.0	-49.40	359.25	4.45	-44.95
CCCC(NC(=O)COC1=CC=C(OCC)C=C1)C1=N[N-]N=N1	REAL000000000442	1	43	-1.0	-49.40	359.19	4.44	-44.96
CCCC(NC(=O)COC1=CC=C(OCC)C=C1)C1=NNN=N1	REAL000000000442	1	44	0.0	-15.14	362.63	4.46	-10.68
CCCC(NC(=O)C1=CC=C2SC(C)C(=O)NC2=C1)C1=NN=N[N-]1	REAL000000000443	0	41	-1.0	-46.81	353.78	3.39	-43.42
CCCC(NC(=O)C1=CC=C2SC(C)C(=O)NC2=C1)C1=N[N-]N=N1	REAL000000000443	1	41	-1.0	-46.81	353.72	3.38	-43.43
CCCC(NC(=O)C1=CC=C2SC(C)C(=O)NC2=C1)C1=NNN=N1	REAL000000000443	1	42	0.0	-13.68	357.16	3.40	-10.28
CCCC(NC(=O)COC1=CC=C2C=CC(=O)OC2=C1)C1=NN=N[N-]1	REAL000000000444	0	41	-1.0	-59.81	355.59	5.71	-54.10
CCCC(NC(=O)COC1=CC=C2C=CC(=O)OC2=C1)C1=N[N-]N=N1	REAL000000000444	1	41	-1.0	-59.81	355.54	5.71	-54.11
CCCC(NC(=O)COC1=CC=C2C=CC(=O)OC2=C1)C1=NNN=N1	REAL000000000444	1	42	0.0	-26.33	358.97	5.72	-20.61
CCCC(NC(=O)C=CC1=CC=C(OCC#N)C(OC)=C1)C1=NN=N[N-]1	REAL000000000445	0	45	-1.0	-54.35	388.73	4.78	-49.57
CCCC(NC(=O)C=CC1=CC=C(OCC#N)C(OC)=C1)C1=N[N-]N=N1	REAL000000000445	1	45	-1.0	-54.35	388.67	4.78	-49.57
CCCC(NC(=O)C=CC1=CC=C(OCC#N)C(OC)=C1)C1=NNN=N1	REAL000000000445	1	46	0.0	-20.73	392.10	4.79	-15.94
CCCC(NC(=O)CCC(=O)C1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL000000000446	0	46	-1.0	-47.42	385.04	4.12	-43.30
CCCC(NC(=O)CCC(=O)C1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL000000000446	1	46	-1.0	-47.43	384.98	4.13	-43.30
CCCC(NC(=O)CCC(=O)C1=CC=C2OCCOC2=C1)C1=NNN=N1	REAL000000000446	1	47	0.0	-12.40	381.23	3.81	-8.59
CCCC(NC(=O)C1=NOC(C2=CC=C(Cl)C=C2)=C1)C1=NN=N[N-]1	REAL000000000447	0	38	-1.0	-43.38	349.71	5.18	-38.20
CCCC(NC(=O)C1=NOC(C2=CC=C(Cl)C=C2)=C1)C1=N[N-]N=N1	REAL000000000447	1	38	-1.0	-43.37	349.66	5.17	-38.21
CCCC(NC(=O)C1=NOC(C2=CC=C(Cl)C=C2)=C1)C1=NNN=N1	REAL000000000447	1	39	0.0	-9.26	353.09	5.19	-4.07
CCCC(NC(=O)C1=CC=C(Cl)C(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000000448	0	37	-1.0	-52.79	341.57	-0.84	-53.63
CCCC(NC(=O)C1=CC=C(Cl)C(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000000448	1	37	-1.0	-52.78	341.51	-0.85	-53.64
CCCC(NC(=O)C1=CC=C(Cl)C(S(N)(=O)=O)=C1)C1=NNN=N1	REAL000000000448	1	38	0.0	-18.92	345.00	-0.84	-19.75
CCCC(NC(=O)CNC(=O)C1=CC(C)=CC(C)=C1)C1=NN=N[N-]1	REAL000000000449	0	45	-1.0	-45.10	376.13	3.48	-41.62
CCCC(NC(=O)CNC(=O)C1=CC(C)=CC(C)=C1)C1=N[N-]N=N1	REAL000000000449	1	45	-1.0	-45.10	376.07	3.48	-41.62
CCCC(NC(=O)CNC(=O)C1=CC(C)=CC(C)=C1)C1=NNN=N1	REAL000000000449	1	46	0.0	-12.31	379.51	3.49	-8.81
CCCC(NC(=O)CNC(=O)C1CCCCC1)C1=NN=N[N-]1	REAL000000000450	0	45	-1.0	-43.00	359.11	2.40	-40.59
CCCC(NC(=O)CNC(=O)C1CCCCC1)C1=N[N-]N=N1	REAL000000000450	1	45	-1.0	-42.99	359.06	2.41	-40.59
CCCC(NC(=O)CNC(=O)C1CCCCC1)C1=NNN=N1	REAL000000000450	1	46	0.0	-10.86	362.49	2.41	-8.44
CCCC(NC(=O)CNC(=O)C1=CC=CC=C1OCC)C1=NN=N[N-]1	REAL000000000451	0	46	-1.0	-48.54	382.50	3.64	-44.90
CCCC(NC(=O)CNC(=O)C1=CC=CC=C1OCC)C1=N[N-]N=N1	REAL000000000451	1	46	-1.0	-48.54	382.44	3.63	-44.91
CCCC(NC(=O)CNC(=O)C1=CC=CC=C1OCC)C1=NNN=N1	REAL000000000451	1	47	0.0	-13.08	378.70	3.32	-9.77
CCCC(NC(=O)CNC(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL000000000452	0	36	-1.0	-44.74	325.47	1.13	-43.61
CCCC(NC(=O)CNC(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL000000000452	1	36	-1.0	-44.73	325.42	1.13	-43.61
CCCC(NC(=O)CNC(=O)C1=CC=CS1)C1=NNN=N1	REAL000000000452	1	37	0.0	-9.81	321.66	0.81	-8.99
CCCC(NC(=O)C1=CC=C(COC2=CC=C(Cl)C=C2)C=C1)C1=NN=N[N-]1	REAL000000000453	0	46	-1.0	-47.34	402.35	7.44	-39.90
CCCC(NC(=O)C1=CC=C(COC2=CC=C(Cl)C=C2)C=C1)C1=N[N-]N=N1	REAL000000000453	1	46	-1.0	-47.34	402.29	7.43	-39.91
CCCC(NC(=O)C1=CC=C(COC2=CC=C(Cl)C=C2)C=C1)C1=NNN=N1	REAL000000000453	1	47	0.0	-9.44	398.55	7.11	-2.33
CCCC(NC(=O)CNC(=O)C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL000000000454	0	39	-1.0	-44.27	339.74	2.22	-42.05
CCCC(NC(=O)CNC(=O)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL000000000454	1	39	-1.0	-44.26	339.68	2.21	-42.06
CCCC(NC(=O)CNC(=O)C1=CC=CC(F)=C1)C1=NNN=N1	REAL000000000454	1	40	0.0	-13.16	343.12	2.23	-10.93
CCCC(NC(=O)C=CC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL000000000455	0	36	-1.0	-46.20	330.19	5.45	-40.75
CCCC(NC(=O)C=CC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL000000000455	1	36	-1.0	-46.21	330.13	5.45	-40.76
CCCC(NC(=O)C=CC1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000000455	1	37	0.0	-11.57	333.56	5.46	-6.10
CCCC(NC(=O)CNC(=O)C1=CC=C(OCC)C(OCC)=C1)C1=NN=N[N-]1	REAL000000000456	0	53	-1.0	-46.05	435.64	3.24	-42.82
CCCC(NC(=O)CNC(=O)C1=CC=C(OCC)C(OCC)=C1)C1=N[N-]N=N1	REAL000000000456	1	53	-1.0	-46.05	435.59	3.24	-42.81
CCCC(NC(=O)CNC(=O)C1=CC=C(OCC)C(OCC)=C1)C1=NNN=N1	REAL000000000456	1	54	0.0	-14.77	439.02	3.24	-11.53
CCCC(NC(=O)C1=NC(N2N=C(C)C=C2C)=CC=C1Cl)C1=NN=N[N-]1	REAL000000000457	0	44	-1.0	-45.59	385.51	6.09	-39.50
CCCC(NC(=O)C1=NC(N2N=C(C)C=C2C)=CC=C1Cl)C1=N[N-]N=N1	REAL000000000457	1	44	-1.0	-45.59	385.45	6.09	-39.50
CCCC(NC(=O)C1=NC(N2N=C(C)C=C2C)=CC=C1Cl)C1=NNN=N1	REAL000000000457	1	45	0.0	-11.78	388.88	6.10	-5.68
CCCC(NC(=O)C1=NN(CC)C(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000000458	0	43	-1.0	-44.52	360.19	4.01	-40.51
CCCC(NC(=O)C1=NN(CC)C(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000000458	1	43	-1.0	-44.52	360.13	4.01	-40.51
CCCC(NC(=O)C1=NN(CC)C(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000000458	1	44	0.0	-11.66	363.57	4.02	-7.64
CCCC(NC(=O)CSC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000000459	0	36	-1.0	-45.12	334.23	5.30	-39.82
CCCC(NC(=O)CSC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000000459	1	36	-1.0	-45.12	334.17	5.31	-39.81
CCCC(NC(=O)CSC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000459	1	37	0.0	-12.06	337.60	5.31	-6.75
CCCC(NC(=O)CC1=CSC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL000000000460	0	41	-1.0	-56.26	362.65	5.28	-50.98
CCCC(NC(=O)CC1=CSC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL000000000460	1	41	-1.0	-56.26	362.60	5.28	-50.98
CCCC(NC(=O)CC1=CSC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000000460	1	42	0.0	-16.50	366.03	5.29	-11.21
CCCC(NC(=O)C1=CC=C2NC3=C(CCCC3)C2=C1)C1=NN=N[N-]1	REAL000000000461	0	46	-1.0	-51.64	369.02	6.14	-45.50
CCCC(NC(=O)C1=CC=C2NC3=C(CCCC3)C2=C1)C1=N[N-]N=N1	REAL000000000461	1	46	-1.0	-51.64	368.96	6.13	-45.51
CCCC(NC(=O)C1=CC=C2NC3=C(CCCC3)C2=C1)C1=NNN=N1	REAL000000000461	1	47	0.0	-14.07	372.61	6.14	-7.93
CCCC(NC(=O)CCOC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL000000000462	0	39	-1.0	-43.35	350.14	4.58	-38.76
CCCC(NC(=O)CCOC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL000000000462	1	39	-1.0	-43.34	350.09	4.58	-38.75
CCCC(NC(=O)CCOC1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000000462	1	40	0.0	-10.28	353.52	4.59	-5.69
CCCC(NC(=O)CSC1=NC2=CC=CC=C2N1CC)C1=NN=N[N-]1	REAL000000000463	0	45	-1.0	-48.01	390.20	6.32	-41.69
CCCC(NC(=O)CSC1=NC2=CC=CC=C2N1CC)C1=N[N-]N=N1	REAL000000000463	1	45	-1.0	-48.00	390.14	6.32	-41.68
CCCC(NC(=O)CSC1=NC2=CC=CC=C2N1CC)C1=NNN=N1	REAL000000000463	1	46	0.0	-11.20	386.39	6.00	-5.20
CCCC(NC(=O)C1=CC=C(N2CCCC2=O)C=C1)C1=NN=N[N-]1	REAL000000000464	0	43	-1.0	-51.63	351.98	4.79	-46.83
CCCC(NC(=O)C1=CC=C(N2CCCC2=O)C=C1)C1=N[N-]N=N1	REAL000000000464	1	43	-1.0	-51.62	351.92	4.78	-46.84
CCCC(NC(=O)C1=CC=C(N2CCCC2=O)C=C1)C1=NNN=N1	REAL000000000464	1	44	0.0	-13.09	348.14	4.47	-8.63
CCCC(NC(=O)C1=CC=C2NC3=C(CC(C)CC3)C2=C1)C1=NN=N[N-]1	REAL000000000465	0	49	-1.0	-51.78	390.02	6.74	-45.04
CCCC(NC(=O)C1=CC=C2NC3=C(CC(C)CC3)C2=C1)C1=N[N-]N=N1	REAL000000000465	1	49	-1.0	-51.78	389.97	6.73	-45.05
CCCC(NC(=O)C1=CC=C2NC3=C(CC(C)CC3)C2=C1)C1=NNN=N1	REAL000000000465	1	50	0.0	-14.00	393.40	6.75	-7.25
CCCC(NC(=O)C1=CC=CC(OCC(C)C)=C1)C1=NN=N[N-]1	REAL000000000466	0	45	-1.0	-49.54	367.29	5.38	-44.16
CCCC(NC(=O)C1=CC=CC(OCC(C)C)=C1)C1=N[N-]N=N1	REAL000000000466	1	45	-1.0	-49.55	367.23	5.37	-44.17
CCCC(NC(=O)C1=CC=CC(OCC(C)C)=C1)C1=NNN=N1	REAL000000000466	1	46	0.0	-9.37	363.47	5.06	-4.31
CCCC(NC(=O)C1=CC=C(CC(C)C)C=C1)C1=NN=N[N-]1	REAL000000000467	0	44	-1.0	-46.47	355.47	6.32	-40.15
CCCC(NC(=O)C1=CC=C(CC(C)C)C=C1)C1=N[N-]N=N1	REAL000000000467	1	44	-1.0	-46.47	355.41	6.32	-40.15
CCCC(NC(=O)C1=CC=C(CC(C)C)C=C1)C1=NNN=N1	REAL000000000467	1	45	0.0	-7.17	351.66	6.01	-1.16
CCCC(NC(=O)C1=CC=C(C2CCCCC2)C=C1)C1=NN=N[N-]1	REAL000000000468	0	48	-1.0	-46.08	376.14	7.47	-38.61
CCCC(NC(=O)C1=CC=C(C2CCCCC2)C=C1)C1=N[N-]N=N1	REAL000000000468	1	48	-1.0	-46.09	376.08	7.47	-38.62
CCCC(NC(=O)C1=CC=C(C2CCCCC2)C=C1)C1=NNN=N1	REAL000000000468	1	49	0.0	-10.15	379.52	7.47	-2.68
CCCC(NC(=O)C1=CC=C(COC(C)C)C=C1)C1=NN=N[N-]1	REAL000000000469	0	45	-1.0	-47.03	371.54	5.09	-41.94
CCCC(NC(=O)C1=CC=C(COC(C)C)C=C1)C1=N[N-]N=N1	REAL000000000469	1	45	-1.0	-47.04	371.48	5.10	-41.94
CCCC(NC(=O)C1=CC=C(COC(C)C)C=C1)C1=NNN=N1	REAL000000000469	1	46	0.0	-8.37	367.72	4.77	-3.60
CCCC(NC(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C1=NN=N[N-]1	REAL000000000470	0	40	-1.0	-46.89	343.93	1.10	-45.79
CCCC(NC(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C1=N[N-]N=N1	REAL000000000470	1	40	-1.0	-46.89	343.87	1.09	-45.80
CCCC(NC(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C1=NNN=N1	REAL000000000470	1	41	0.0	-15.40	347.30	1.11	-14.29
CCCC(NC(=O)C1=CC=C(N2CCCC2)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000000471	0	46	-1.0	-51.10	377.85	5.96	-45.14
CCCC(NC(=O)C1=CC=C(N2CCCC2)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000000471	1	46	-1.0	-51.09	377.79	5.95	-45.14
CCCC(NC(=O)C1=CC=C(N2CCCC2)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000471	1	47	0.0	-18.60	381.23	5.97	-12.64
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000000472	0	46	-1.0	-49.50	380.96	7.59	-41.90
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000000472	1	46	-1.0	-49.49	380.90	7.59	-41.90
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2)C(C)=C1)C1=NNN=N1	REAL000000000472	1	47	0.0	-11.63	384.34	7.60	-4.03
CCCC(NC(=O)C1=C(C)N(C2=CC=C(F)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000000473	0	46	-1.0	-47.88	387.36	7.66	-40.22
CCCC(NC(=O)C1=C(C)N(C2=CC=C(F)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000000473	1	46	-1.0	-47.88	387.30	7.66	-40.22
CCCC(NC(=O)C1=C(C)N(C2=CC=C(F)C=C2)C(C)=C1)C1=NNN=N1	REAL000000000473	1	47	0.0	-11.02	390.73	7.67	-3.34
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000000474	0	38	-1.0	-41.93	352.12	5.65	-36.28
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000000474	1	38	-1.0	-41.93	352.06	5.64	-36.29
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000000474	1	39	0.0	-9.65	355.50	5.66	-3.99
CCCC(NC(=O)C1=CC=C(OC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000000475	0	36	-1.0	-43.17	320.25	3.45	-39.72
CCCC(NC(=O)C1=CC=C(OC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000000475	1	36	-1.0	-43.16	320.19	3.44	-39.71
CCCC(NC(=O)C1=CC=C(OC(F)(F)F)C=C1)C1=NNN=N1	REAL000000000475	1	37	0.0	-9.60	323.62	3.46	-6.14
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C2=CC=CS2)=C1)C1=NN=N[N-]1	REAL000000000476	0	44	-1.0	-47.35	380.67	6.74	-40.60
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C2=CC=CS2)=C1)C1=N[N-]N=N1	REAL000000000476	1	44	-1.0	-47.35	380.61	6.74	-40.60
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C2=CC=CS2)=C1)C1=NNN=N1	REAL000000000476	1	45	0.0	-12.17	384.05	6.75	-5.42
CCCC(NC(=O)C1=CC2=C(S1)N(C1=CC=CC=C1)N=C2C)C1=NN=N[N-]1	REAL000000000477	0	45	-1.0	-47.74	395.59	6.75	-40.99
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N2CCCC2)C=C1)C1=NN=N[N-]1	REAL000000000478	0	47	-1.0	-49.86	396.23	2.79	-47.07
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N2CCCC2)C=C1)C1=N[N-]N=N1	REAL000000000478	1	47	-1.0	-49.86	396.18	2.79	-47.07
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N2CCCC2)C=C1)C1=NNN=N1	REAL000000000478	1	48	0.0	-15.47	399.61	2.80	-12.67
CCCC(NC(=O)CCC(=O)N1CC(=O)NC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000000479	0	47	-1.0	-48.59	389.57	2.83	-45.76
CCCC(NC(=O)CCC(=O)N1CC(=O)NC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000000479	1	47	-1.0	-48.59	389.51	2.83	-45.75
CCCC(NC(=O)CCC(=O)N1CC(=O)NC2=CC=CC=C21)C1=NNN=N1	REAL000000000479	1	48	0.0	-15.36	392.93	2.84	-12.52
CCCC(NC(=O)C1=CC=C(NC(C)=O)C=C1)C1=NN=N[N-]1	REAL000000000480	0	39	-1.0	-55.18	330.32	2.56	-52.62
CCCC(NC(=O)C1=CC=C(NC(C)=O)C=C1)C1=N[N-]N=N1	REAL000000000480	1	39	-1.0	-55.17	330.27	2.56	-52.62
CCCC(NC(=O)C1=CC=C(NC(C)=O)C=C1)C1=NNN=N1	REAL000000000480	1	40	0.0	-14.74	326.53	2.23	-12.50
CCCC(NC(=O)CCCC1=CNC2=CC=CC=C12)C1=NN=N[N-]1	REAL000000000481	0	45	-1.0	-51.94	373.79	5.97	-45.97
CCCC(NC(=O)CCCC1=CNC2=CC=CC=C12)C1=N[N-]N=N1	REAL000000000481	1	45	-1.0	-51.93	373.73	5.96	-45.97
CCCC(NC(=O)CCCC1=CNC2=CC=CC=C12)C1=NNN=N1	REAL000000000481	1	46	0.0	-11.91	369.97	5.65	-6.27
CCCC(NC(=O)C1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL000000000482	0	32	-1.0	-46.57	295.65	4.26	-42.31
CCCC(NC(=O)C1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL000000000482	1	32	-1.0	-46.57	295.59	4.27	-42.30
CCCC(NC(=O)C1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000000482	1	33	0.0	-11.79	299.03	4.27	-7.52
CCCC(NC(=O)CNC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000000483	0	39	-1.0	-45.10	333.33	2.14	-42.95
CCCC(NC(=O)CNC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000000483	1	39	-1.0	-45.09	333.27	2.13	-42.96
CCCC(NC(=O)CNC(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000000483	1	40	0.0	-12.45	336.71	2.16	-10.29
CCCC(NC(=O)C1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000000484	0	32	-1.0	-43.84	295.64	4.26	-39.58
CCCC(NC(=O)C1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000000484	1	32	-1.0	-43.84	295.58	4.26	-39.57
CCCC(NC(=O)C1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000000484	1	33	0.0	-9.92	299.02	4.27	-5.65
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL000000000485	0	43	-1.0	-52.10	369.92	1.67	-50.43
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL000000000485	1	43	-1.0	-52.11	369.87	1.66	-50.45
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C1=NNN=N1	REAL000000000485	1	44	0.0	-14.68	366.02	1.33	-13.35
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL000000000486	0	43	-1.0	-52.58	373.46	0.45	-52.13
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL000000000486	1	43	-1.0	-52.58	373.40	0.44	-52.14
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CC=C1F)C1=NNN=N1	REAL000000000486	1	44	0.0	-19.71	376.84	0.45	-19.26
CCCCCC1=CC=C(C(=O)CCC(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000000487	0	55	-1.0	-44.51	447.98	8.74	-35.76
CCCCCC1=CC=C(C(=O)CCC(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000000487	1	55	-1.0	-44.50	447.93	8.74	-35.77
CCCCCC1=CC=C(C(=O)CCC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000000487	1	56	0.0	-10.77	451.36	8.74	-2.03
CCCC(NC(=O)C=CC1=CC=C(OC(F)F)C(OC)=C1)C1=NN=N[N-]1	REAL000000000488	0	44	-1.0	-49.16	377.26	4.35	-44.82
CCCC(NC(=O)C=CC1=CC=C(OC(F)F)C(OC)=C1)C1=N[N-]N=N1	REAL000000000488	1	44	-1.0	-49.16	377.21	4.35	-44.81
CCCC(NC(=O)C=CC1=CC=C(OC(F)F)C(OC)=C1)C1=NNN=N1	REAL000000000488	1	45	0.0	-14.80	380.64	4.36	-10.45
CCCC(NC(=O)CCCOC1=CC=C(C(C)=O)C=C1)C1=NN=N[N-]1	REAL000000000489	0	47	-1.0	-53.36	391.44	5.17	-48.18
CCCC(NC(=O)CCCOC1=CC=C(C(C)=O)C=C1)C1=N[N-]N=N1	REAL000000000489	1	47	-1.0	-53.35	391.38	5.17	-48.18
CCCC(NC(=O)CCCOC1=CC=C(C(C)=O)C=C1)C1=NNN=N1	REAL000000000489	1	48	0.0	-15.92	386.94	4.82	-11.09
CCCC(NC(=O)C1=CC=CC(N2C(=O)C3=CC=CC=C3C2=O)=C1)C1=NN=N[N-]1	REAL000000000490	0	46	-1.0	-58.62	389.49	6.30	-52.32
CCCC(NC(=O)C1=CC=CC(N2C(=O)C3=CC=CC=C3C2=O)=C1)C1=N[N-]N=N1	REAL000000000490	1	46	-1.0	-58.63	389.43	6.31	-52.32
CCCC(NC(=O)C1=CC=CC(N2C(=O)C3=CC=CC=C3C2=O)=C1)C1=NNN=N1	REAL000000000490	1	47	0.0	-20.51	392.86	6.31	-14.20
CCCC(NC(=O)C1=CC=C(OC(C)C)C(OC)=C1)C1=NN=N[N-]1	REAL000000000491	0	46	-1.0	-48.12	372.72	4.44	-43.67
CCCC(NC(=O)C1=CC=C(OC(C)C)C(OC)=C1)C1=N[N-]N=N1	REAL000000000491	1	46	-1.0	-48.11	372.67	4.43	-43.67
CCCC(NC(=O)C1=CC=C(OC(C)C)C(OC)=C1)C1=NNN=N1	REAL000000000491	1	47	0.0	-13.67	376.10	4.45	-9.22
CCCC(NC(=O)C1=CC=C(OCCC(C)C)C(OC)=C1)C1=NN=N[N-]1	REAL000000000492	0	52	-1.0	-47.62	415.39	5.94	-41.69
CCCC(NC(=O)C1=CC=C(OCCC(C)C)C(OC)=C1)C1=N[N-]N=N1	REAL000000000492	1	52	-1.0	-47.62	415.33	5.94	-41.69
CCCC(NC(=O)C1=CC=C(OCCC(C)C)C(OC)=C1)C1=NNN=N1	REAL000000000492	1	53	0.0	-13.43	418.77	5.94	-7.49
CCCCCCOC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1OC	REAL000000000493	0	55	-1.0	-47.65	440.82	6.98	-40.68
CCCCCCOC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1OC	REAL000000000493	1	55	-1.0	-47.65	440.76	6.98	-40.68
CCCCCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1OC	REAL000000000493	1	56	0.0	-13.48	444.19	6.99	-6.49
CCCC(NC(=O)C1=CC=C(OCC2=CC=CC=C2)C(OC)=C1)C1=NN=N[N-]1	REAL000000000494	0	50	-1.0	-49.32	414.73	6.85	-42.47
CCCC(NC(=O)C1=CC=C(OCC2=CC=CC=C2)C(OC)=C1)C1=N[N-]N=N1	REAL000000000494	1	50	-1.0	-49.32	414.67	6.85	-42.46
CCCC(NC(=O)C1=CC=C(OCC2=CC=CC=C2)C(OC)=C1)C1=NNN=N1	REAL000000000494	1	51	0.0	-15.01	418.11	6.86	-8.14
CCCC(NC(=O)CN1C(=O)COC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000000495	0	41	-1.0	-57.36	345.46	3.10	-54.26
CCCC(NC(=O)CN1C(=O)COC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000000495	1	41	-1.0	-57.36	345.41	3.10	-54.26
CCCC(NC(=O)CN1C(=O)COC2=CC=CC=C21)C1=NNN=N1	REAL000000000495	1	42	0.0	-18.69	348.85	3.10	-15.59
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL000000000496	0	43	-1.0	-50.49	376.86	0.72	-49.77
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL000000000496	1	43	-1.0	-50.50	376.81	0.72	-49.78
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CC=C1Cl)C1=NNN=N1	REAL000000000496	1	44	0.0	-14.87	373.07	0.40	-14.46
CCCC(NC(=O)CCNS(=O)(=O)C1=C(C)C=C(C)C=C1C)C1=NN=N[N-]1	REAL000000000497	0	52	-1.0	-48.46	419.23	2.71	-45.75
CCCC(NC(=O)CCNS(=O)(=O)C1=C(C)C=C(C)C=C1C)C1=N[N-]N=N1	REAL000000000497	1	52	-1.0	-48.46	419.17	2.70	-45.76
CCCC(NC(=O)CCNS(=O)(=O)C1=C(C)C=C(C)C=C1C)C1=NNN=N1	REAL000000000497	1	53	0.0	-15.66	422.60	2.72	-12.95
CCCC(NC(=O)C1CCN(C(=O)C=CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL000000000498	0	53	-1.0	-53.21	424.57	6.99	-46.23
CCCC(NC(=O)C1CCN(C(=O)C=CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL000000000498	1	53	-1.0	-53.21	424.51	6.98	-46.23
CCCC(NC(=O)C1CCN(C(=O)C=CC2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000000498	1	54	0.0	-19.23	427.95	6.99	-12.23
CCCC(NC(=O)CCCNS(=O)(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000000499	0	46	-1.0	-52.12	403.03	1.54	-50.58
CCCC(NC(=O)CCCNS(=O)(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000000499	1	46	-1.0	-52.12	402.97	1.55	-50.57
CCCC(NC(=O)CCCNS(=O)(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000000499	1	47	0.0	-14.91	399.23	1.22	-13.69
CCCC(NC(=O)COC1=CC=CC=C1CC)C1=NN=N[N-]1	REAL000000000500	0	42	-1.0	-49.25	349.60	5.68	-43.57
CCCC(NC(=O)COC1=CC=CC=C1CC)C1=N[N-]N=N1	REAL000000000500	1	42	-1.0	-49.24	349.55	5.68	-43.56
CCCC(NC(=O)COC1=CC=CC=C1CC)C1=NNN=N1	REAL000000000500	1	43	0.0	-10.37	345.78	5.27	-5.10
CCCC(NC(=O)COC1=CC=CC=C1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000000501	0	49	-1.0	-52.39	407.26	8.69	-43.70
CCCC(NC(=O)COC1=CC=CC=C1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000000501	1	49	-1.0	-52.39	407.20	8.70	-43.70
CCCC(NC(=O)COC1=CC=CC=C1CC1=CC=CC=C1)C1=NNN=N1	REAL000000000501	1	50	0.0	-14.21	410.76	8.71	-5.50
CCCC(NC(=O)C=CC1=CC=C(OC(C)C)C(OC)=C1)C1=NN=N[N-]1	REAL000000000502	0	50	-1.0	-48.70	407.28	5.63	-43.07
CCCC(NC(=O)C=CC1=CC=C(OC(C)C)C(OC)=C1)C1=N[N-]N=N1	REAL000000000502	1	50	-1.0	-48.69	407.23	5.62	-43.07
CCCC(NC(=O)C=CC1=CC=C(OC(C)C)C(OC)=C1)C1=NNN=N1	REAL000000000502	1	51	0.0	-11.37	403.42	5.30	-6.07
CCCC(NC(=O)C1CC(=O)N(CC2=CC=CC=C2Cl)C1)C1=NN=N[N-]1	REAL000000000503	0	46	-1.0	-48.41	390.86	5.34	-43.07
CCCC(NC(=O)C1CC(=O)N(CC2=CC=CC=C2Cl)C1)C1=N[N-]N=N1	REAL000000000503	1	46	-1.0	-48.41	390.80	5.33	-43.08
CCCC(NC(=O)C1CC(=O)N(CC2=CC=CC=C2Cl)C1)C1=NNN=N1	REAL000000000503	1	47	0.0	-13.45	395.19	5.45	-8.00
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2CC)C1)C1=NN=N[N-]1	REAL000000000504	0	49	-1.0	-59.82	397.43	6.36	-53.47
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2CC)C1)C1=N[N-]N=N1	REAL000000000504	1	49	-1.0	-59.81	397.38	6.35	-53.46
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2CC)C1)C1=NNN=N1	REAL000000000504	1	50	0.0	-15.54	393.63	6.06	-9.47
CCCC(NC(=O)CSCC(=O)NC1=NOC(C)=C1)C1=NN=N[N-]1	REAL000000000505	0	42	-1.0	-56.13	373.08	3.15	-52.98
CCCC(NC(=O)CSCC(=O)NC1=NOC(C)=C1)C1=N[N-]N=N1	REAL000000000505	1	42	-1.0	-56.13	373.02	3.15	-52.97
CCCC(NC(=O)CSCC(=O)NC1=NOC(C)=C1)C1=NNN=N1	REAL000000000505	1	43	0.0	-21.54	376.45	3.16	-18.38
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C1=NN=N[N-]1	REAL000000000506	0	48	-1.0	-53.42	411.75	1.09	-52.33
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C1=N[N-]N=N1	REAL000000000506	1	48	-1.0	-53.42	411.69	1.08	-52.34
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C1=NNN=N1	REAL000000000506	1	49	0.0	-21.01	415.15	1.10	-19.91
CCCC(NC(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000000507	0	38	-1.0	-54.55	344.77	1.60	-52.95
CCCC(NC(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000000507	1	38	-1.0	-54.55	344.71	1.59	-52.95
CCCC(NC(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C1=NNN=N1	REAL000000000507	1	39	0.0	-15.47	340.95	1.28	-14.19
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C1=NN=N[N-]1	REAL000000000508	0	41	-1.0	-54.13	351.10	1.87	-52.27
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C1=N[N-]N=N1	REAL000000000508	1	41	-1.0	-54.14	351.04	1.86	-52.28
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C1=NNN=N1	REAL000000000508	1	42	0.0	-15.79	354.47	1.88	-13.91
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C1=NN=N[N-]1	REAL000000000509	0	45	-1.0	-59.69	395.85	0.53	-59.16
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C1=N[N-]N=N1	REAL000000000509	1	45	-1.0	-59.70	395.79	0.53	-59.17
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C1=NNN=N1	REAL000000000509	1	46	0.0	-24.32	396.94	0.45	-23.88
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NCCC#N)C=C1)C1=NN=N[N-]1	REAL000000000510	0	44	-1.0	-55.59	392.79	1.17	-54.42
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NCCC#N)C=C1)C1=N[N-]N=N1	REAL000000000510	1	44	-1.0	-55.63	392.76	1.16	-54.46
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NCCC#N)C=C1)C1=NNN=N1	REAL000000000510	1	45	0.0	-22.19	396.15	1.18	-21.00
CCCC(NC(=O)C1=CC=C2C(=C1)N=NN2CC)C1=NN=N[N-]1	REAL000000000511	0	40	-1.0	-51.51	340.08	2.99	-48.52
CCCC(NC(=O)C1=CC=C2C(=C1)N=NN2CC)C1=N[N-]N=N1	REAL000000000511	1	40	-1.0	-51.51	340.03	2.99	-48.52
CCCC(NC(=O)C1=CC=C2C(=C1)N=NN2CC)C1=NNN=N1	REAL000000000511	1	41	0.0	-17.93	343.46	3.00	-14.94
CCCC(NC(=O)C(C)SC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000000512	0	39	-1.0	-45.89	336.16	5.24	-40.65
CCCC(NC(=O)C(C)SC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000000512	1	39	-1.0	-45.89	336.11	5.25	-40.65
CCCC(NC(=O)C(C)SC1=CC=CC=C1)C1=NNN=N1	REAL000000000512	1	40	0.0	-11.54	339.54	5.25	-6.29
CCCC(NC(=O)C1=CC(Cl)=C(OCC(C)C)C(OC)=C1)C1=NN=N[N-]1	REAL000000000513	0	49	-1.0	-43.08	416.41	5.97	-37.10
CCCC(NC(=O)C1=CC(Cl)=C(OCC(C)C)C(OC)=C1)C1=N[N-]N=N1	REAL000000000513	1	49	-1.0	-43.07	416.36	5.96	-37.11
CCCC(NC(=O)C1=CC(Cl)=C(OCC(C)C)C(OC)=C1)C1=NNN=N1	REAL000000000513	1	50	0.0	-10.38	419.79	5.97	-4.41
CCCC(NC(=O)C1=CC=C(N(C)C)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000000514	0	42	-1.0	-51.22	354.59	4.94	-46.28
CCCC(NC(=O)C1=CC=C(N(C)C)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000000514	1	42	-1.0	-51.22	354.53	4.93	-46.29
CCCC(NC(=O)C1=CC=C(N(C)C)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000514	1	43	0.0	-14.11	350.77	4.62	-9.50
CCCC(NC(=O)CSCC(=O)NC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000000515	0	46	-1.0	-58.28	398.42	4.63	-53.65
CCCC(NC(=O)CSCC(=O)NC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000000515	1	46	-1.0	-58.28	398.36	4.63	-53.64
CCCC(NC(=O)CSCC(=O)NC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000000515	1	47	0.0	-22.31	401.80	4.64	-17.67
CCCC(NC(=O)CCC(=O)C1=CC=C2OCCCOC2=C1)C1=NN=N[N-]1	REAL000000000516	0	49	-1.0	-47.40	403.37	4.92	-42.48
CCCC(NC(=O)CCC(=O)C1=CC=C2OCCCOC2=C1)C1=N[N-]N=N1	REAL000000000516	1	49	-1.0	-47.40	403.31	4.91	-42.49
CCCC(NC(=O)CCC(=O)C1=CC=C2OCCCOC2=C1)C1=NNN=N1	REAL000000000516	1	50	0.0	-14.49	406.74	4.93	-9.56
CCCC(NC(=O)C=CC1=CC=C(OC(F)F)C(OCC)=C1)C1=NN=N[N-]1	REAL000000000517	0	47	-1.0	-48.97	399.11	5.27	-43.71
CCCC(NC(=O)C=CC1=CC=C(OC(F)F)C(OCC)=C1)C1=N[N-]N=N1	REAL000000000517	1	47	-1.0	-48.97	399.06	5.27	-43.70
CCCC(NC(=O)C=CC1=CC=C(OC(F)F)C(OCC)=C1)C1=NNN=N1	REAL000000000517	1	48	0.0	-14.60	402.49	5.28	-9.32
CCCC(NC(=O)C(C)SCC(=O)NC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000000518	0	46	-1.0	-58.94	401.62	4.61	-54.33
CCCC(NC(=O)C(C)SCC(=O)NC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000000518	1	46	-1.0	-58.94	401.57	4.61	-54.33
CCCC(NC(=O)C(C)SCC(=O)NC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000000518	1	47	0.0	-18.72	397.83	4.29	-14.43
CCCC(NC(=O)C1=CC=C(COC2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL000000000519	0	43	-1.0	-47.97	370.37	5.09	-42.88
CCCC(NC(=O)C1=CC=C(COC2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL000000000519	1	43	-1.0	-47.97	370.31	5.09	-42.88
CCCC(NC(=O)C1=CC=C(COC2=CC=CC=C2)O1)C1=NNN=N1	REAL000000000519	1	44	0.0	-11.90	373.74	5.09	-6.80
CCCCOC1=C(Cl)C=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1OC	REAL000000000520	0	49	-1.0	-43.00	417.81	6.09	-36.92
CCCCOC1=C(Cl)C=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1OC	REAL000000000520	1	49	-1.0	-43.00	417.75	6.08	-36.93
CCCCOC1=C(Cl)C=C(C(=O)NC(CCC)C2=NNN=N2)C=C1OC	REAL000000000520	1	50	0.0	-10.43	421.18	6.09	-4.33
CCCC(NC(=O)CSC(C)C(=O)NC1=NOC(C)=C1)C1=NN=N[N-]1	REAL000000000521	0	45	-1.0	-55.54	391.63	3.72	-51.82
CCCC(NC(=O)CSC(C)C(=O)NC1=NOC(C)=C1)C1=N[N-]N=N1	REAL000000000521	1	45	-1.0	-55.54	391.57	3.71	-51.83
CCCC(NC(=O)CSC(C)C(=O)NC1=NOC(C)=C1)C1=NNN=N1	REAL000000000521	1	46	0.0	-20.90	395.01	3.73	-17.17
CCCC(NC(=O)C(C)SCC(=O)NC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000000522	0	49	-1.0	-60.01	416.97	5.20	-54.81
CCCC(NC(=O)C(C)SCC(=O)NC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000000522	1	49	-1.0	-60.00	416.92	5.19	-54.81
CCCC(NC(=O)C(C)SCC(=O)NC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000000522	1	50	0.0	-18.24	413.16	4.88	-13.37
CCCC(NC(=O)C1=CC=C(CS(=O)(=O)C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL000000000523	0	45	-1.0	-56.85	401.15	3.27	-53.58
CCCC(NC(=O)C1=CC=C(CS(=O)(=O)C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL000000000523	1	45	-1.0	-56.85	401.09	3.27	-53.58
CCCC(NC(=O)C1=CC=C(CS(=O)(=O)C2=CC=CC=C2)O1)C1=NNN=N1	REAL000000000523	1	46	0.0	-19.46	404.53	3.28	-16.18
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000000524	0	40	-1.0	-50.00	359.48	0.11	-49.90
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000000524	1	40	-1.0	-50.00	359.42	0.11	-49.89
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000000524	1	41	0.0	-16.23	362.85	0.12	-16.12
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000000525	0	43	-1.0	-48.84	381.52	0.74	-48.10
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000000525	1	43	-1.0	-48.84	381.47	0.74	-48.10
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000000525	1	44	0.0	-16.54	384.90	0.75	-15.79
CCCC(NC(=O)CNS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C1=NN=N[N-]1	REAL000000000526	0	52	-1.0	-49.70	413.65	2.62	-47.07
CCCC(NC(=O)CNS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C1=N[N-]N=N1	REAL000000000526	1	52	-1.0	-49.70	413.60	2.63	-47.07
CCCC(NC(=O)CNS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C1=NNN=N1	REAL000000000526	1	53	0.0	-15.01	417.03	2.63	-12.38
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL000000000527	0	40	-1.0	-52.39	351.41	-0.19	-52.58
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL000000000527	1	40	-1.0	-52.39	351.35	-0.20	-52.59
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC=C1F)C1=NNN=N1	REAL000000000527	1	41	0.0	-15.88	354.78	-0.18	-16.06
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL000000000528	0	43	-1.0	-55.36	375.95	0.72	-54.64
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL000000000528	1	43	-1.0	-55.36	375.89	0.71	-54.64
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=CC=CC=C1F)C1=NNN=N1	REAL000000000528	1	44	0.0	-18.25	379.32	0.73	-17.51
CCCOC1=CC=C(C=CC(=O)NC(CCC)C2=NN=N[N-]2)C=C1OCC	REAL000000000529	0	53	-1.0	-48.38	432.72	6.74	-41.65
CCCOC1=CC=C(C=CC(=O)NC(CCC)C2=N[N-]N=N2)C=C1OCC	REAL000000000529	1	53	-1.0	-48.38	432.66	6.74	-41.64
CCCOC1=CC=C(C=CC(=O)NC(CCC)C2=NNN=N2)C=C1OCC	REAL000000000529	1	54	0.0	-11.11	428.88	6.42	-4.69
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1C(F)(F)F)C1=NN=N[N-]1	REAL000000000530	0	41	-1.0	-53.53	363.78	5.41	-48.11
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1C(F)(F)F)C1=N[N-]N=N1	REAL000000000530	1	41	-1.0	-53.51	363.72	5.41	-48.10
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1C(F)(F)F)C1=NNN=N1	REAL000000000530	1	42	0.0	-18.04	367.15	5.42	-12.62
CCCC(NC(=O)CCC(=O)C1=CC=C(CC)C=C1)C1=NN=N[N-]1	REAL000000000531	0	46	-1.0	-44.78	383.49	6.39	-38.39
CCCC(NC(=O)CCC(=O)C1=CC=C(CC)C=C1)C1=N[N-]N=N1	REAL000000000531	1	46	-1.0	-44.78	383.43	6.39	-38.39
CCCC(NC(=O)CCC(=O)C1=CC=C(CC)C=C1)C1=NNN=N1	REAL000000000531	1	47	0.0	-8.90	379.69	6.07	-2.83
CCCC(NC(=O)CCC(=O)C1=CC=C(OCC)C(OCC)=C1)C1=NN=N[N-]1	REAL000000000532	0	54	-1.0	-46.79	442.89	6.06	-40.74
CCCC(NC(=O)CCC(=O)C1=CC=C(OCC)C(OCC)=C1)C1=N[N-]N=N1	REAL000000000532	1	54	-1.0	-46.79	442.83	6.06	-40.74
CCCC(NC(=O)CCC(=O)C1=CC=C(OCC)C(OCC)=C1)C1=NNN=N1	REAL000000000532	1	55	0.0	-12.37	439.08	5.74	-6.62
CCCC(NC(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000000533	0	37	-1.0	-51.16	321.17	4.95	-46.21
CCCC(NC(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000000533	1	37	-1.0	-51.16	321.11	4.94	-46.22
CCCC(NC(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000533	1	38	0.0	-17.58	321.88	4.84	-12.74
CCCC(NC(=O)C1=CC(OC)=C(C)C(OC)=C1)C1=NN=N[N-]1	REAL000000000534	0	43	-1.0	-45.79	351.97	3.10	-42.69
CCCC(NC(=O)C1=CC(OC)=C(C)C(OC)=C1)C1=N[N-]N=N1	REAL000000000534	1	43	-1.0	-45.79	351.92	3.09	-42.70
CCCC(NC(=O)C1=CC(OC)=C(C)C(OC)=C1)C1=NNN=N1	REAL000000000534	1	44	0.0	-11.82	355.35	3.11	-8.71
CCCC(NC(=O)CCNC(=O)C1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL000000000535	0	44	-1.0	-54.94	383.63	3.45	-51.49
CCCC(NC(=O)CCNC(=O)C1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL000000000535	1	44	-1.0	-54.93	383.57	3.45	-51.49
CCCC(NC(=O)CCNC(=O)C1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000000535	1	45	0.0	-18.89	379.82	3.13	-15.75
CCCC(NC(=O)CCC1=CC=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL000000000536	0	46	-1.0	-47.34	379.13	4.35	-42.99
CCCC(NC(=O)CCC1=CC=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL000000000536	1	46	-1.0	-47.34	379.07	4.35	-42.99
CCCC(NC(=O)CCC1=CC=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000000536	1	47	0.0	-13.97	382.50	4.36	-9.61
CCCC(NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)C1=NN=N[N-]1	REAL000000000537	0	56	-1.0	-53.98	420.26	4.71	-49.27
CCCC(NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)C1=N[N-]N=N1	REAL000000000537	1	56	-1.0	-53.98	420.20	4.71	-49.26
CCCC(NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)C1=NNN=N1	REAL000000000537	1	57	0.0	-19.00	423.63	4.72	-14.28
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL000000000538	0	40	-1.0	-49.77	367.05	-0.35	-50.11
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL000000000538	1	40	-1.0	-49.77	366.99	-0.34	-50.12
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CS1)C1=NNN=N1	REAL000000000538	1	41	0.0	-18.03	370.43	-0.33	-18.37
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C2C=CC=CC2=C1)C1=NN=N[N-]1	REAL000000000539	0	46	-1.0	-52.21	399.04	2.28	-49.94
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C2C=CC=CC2=C1)C1=N[N-]N=N1	REAL000000000539	1	46	-1.0	-52.21	398.98	2.28	-49.93
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000000539	1	47	0.0	-17.35	402.42	2.29	-15.07
CCCC(NC(=O)CN1C(=O)NC2(CCCCC2C)C1=O)C1=NN=N[N-]1	REAL000000000540	0	50	-1.0	-53.46	396.64	3.16	-50.30
CCCC(NC(=O)CN1C(=O)NC2(CCCCC2C)C1=O)C1=N[N-]N=N1	REAL000000000540	1	50	-1.0	-53.46	396.58	3.15	-50.31
CCCC(NC(=O)CN1C(=O)NC2(CCCCC2C)C1=O)C1=NNN=N1	REAL000000000540	1	51	0.0	-15.91	400.01	3.17	-12.74
CCCC(NC(=O)C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL000000000541	0	39	-2.0	-113.35	360.38	-0.07	-113.42
CCCC(NC(=O)C(C)OC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000000542	0	42	-1.0	-49.40	346.74	5.48	-43.93
CCCC(NC(=O)C(C)OC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000000542	1	42	-1.0	-49.41	346.68	5.47	-43.94
CCCC(NC(=O)C(C)OC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000000542	1	43	0.0	-10.43	342.12	5.10	-5.34
CCCC(NC(=O)C(C)OC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL000000000543	0	42	-1.0	-49.78	346.74	5.47	-44.31
CCCC(NC(=O)C(C)OC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL000000000543	1	42	-1.0	-49.78	346.69	5.47	-44.31
CCCC(NC(=O)C(C)OC1=CC=CC(C)=C1)C1=NNN=N1	REAL000000000543	1	43	0.0	-14.19	350.11	5.48	-8.70
CCCC(NC(=O)CSC1=CC=C(C(N)=O)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000000544	0	42	-1.0	-61.14	375.39	2.09	-59.05
CCCC(NC(=O)CSC1=CC=C(C(N)=O)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000000544	1	42	-1.0	-61.13	375.33	2.09	-59.04
CCCC(NC(=O)CSC1=CC=C(C(N)=O)C=C1[N+](=O)[O-])C1=NNN=N1	REAL000000000544	1	43	0.0	-29.20	378.77	2.10	-27.10
CCCC(NC(=O)C1=NN(CC(C)C)C(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000000545	0	49	-1.0	-44.32	395.84	5.28	-39.04
CCCC(NC(=O)C1=NN(CC(C)C)C(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000000545	1	49	-1.0	-44.32	395.79	5.27	-39.05
CCCC(NC(=O)C1=NN(CC(C)C)C(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000000545	1	50	0.0	-11.13	399.23	5.29	-5.84
CCCCCN1N=C(C(=O)NC(CCC)C2=NN=N[N-]2)C2=CC=CC=C2C1=O	REAL000000000546	0	52	-1.0	-44.33	424.68	6.34	-37.99
CCCCCN1N=C(C(=O)NC(CCC)C2=N[N-]N=N2)C2=CC=CC=C2C1=O	REAL000000000546	1	52	-1.0	-44.33	424.63	6.34	-37.99
CCCCCN1N=C(C(=O)NC(CCC)C2=NNN=N2)C2=CC=CC=C2C1=O	REAL000000000546	1	53	0.0	-9.33	420.88	6.03	-3.30
CCCC(NC(=O)C1CC(=O)N(C2=CC=C3OCCOC3=C2)C1)C1=NN=N[N-]1	REAL000000000547	0	49	-1.0	-48.74	398.20	3.77	-44.97
CCCC(NC(=O)C1CC(=O)N(C2=CC=C3OCCOC3=C2)C1)C1=N[N-]N=N1	REAL000000000547	1	49	-1.0	-48.73	398.14	3.76	-44.97
CCCC(NC(=O)C1CC(=O)N(C2=CC=C3OCCOC3=C2)C1)C1=NNN=N1	REAL000000000547	1	50	0.0	-19.00	401.06	3.77	-15.23
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2OCC)C1)C1=NN=N[N-]1	REAL000000000548	0	50	-1.0	-48.95	412.80	5.21	-43.74
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2OCC)C1)C1=N[N-]N=N1	REAL000000000548	1	50	-1.0	-48.94	412.75	5.20	-43.74
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2OCC)C1)C1=NNN=N1	REAL000000000548	1	51	0.0	-19.14	416.15	5.20	-13.94
CCCC(NC(=O)C1=CC=C(NC)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000000549	0	39	-1.0	-51.32	334.57	3.37	-47.94
CCCC(NC(=O)C1=CC=C(NC)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000000549	1	39	-1.0	-51.31	334.52	3.36	-47.95
CCCC(NC(=O)C1=CC=C(NC)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000549	1	40	0.0	-17.85	335.43	3.34	-14.52
CCCC(NC(=O)C=CC1=CC=C(C(C)C)C=C1)C1=NN=N[N-]1	REAL000000000550	0	45	-1.0	-46.08	369.03	6.76	-39.32
CCCC(NC(=O)C=CC1=CC=C(C(C)C)C=C1)C1=N[N-]N=N1	REAL000000000550	1	45	-1.0	-46.08	368.98	6.76	-39.31
CCCC(NC(=O)C=CC1=CC=C(C(C)C)C=C1)C1=NNN=N1	REAL000000000550	1	46	0.0	-10.48	372.41	6.77	-3.71
CCCC(NC(=O)CCC(=O)N1CCC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL000000000551	0	49	-1.0	-51.37	411.63	5.43	-45.94
CCCC(NC(=O)CCC(=O)N1CCC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL000000000551	1	49	-1.0	-51.36	411.57	5.44	-45.93
CCCC(NC(=O)CCC(=O)N1CCC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000000551	1	50	0.0	-12.20	407.83	5.12	-7.08
CCCC(NC(=O)C1=CC=C(NC(=O)C2CC2)C=C1)C1=NN=N[N-]1	REAL000000000552	0	43	-1.0	-50.09	361.45	4.15	-45.94
CCCC(NC(=O)C1=CC=C(NC(=O)C2CC2)C=C1)C1=N[N-]N=N1	REAL000000000552	1	43	-1.0	-50.09	361.39	4.14	-45.95
CCCC(NC(=O)C1=CC=C(NC(=O)C2CC2)C=C1)C1=NNN=N1	REAL000000000552	1	44	0.0	-14.31	364.82	4.16	-10.15
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC=C1C)C1=NN=N[N-]1	REAL000000000553	0	40	-1.0	-51.55	344.63	-0.71	-52.26
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC=C1C)C1=N[N-]N=N1	REAL000000000553	1	40	-1.0	-51.54	344.57	-0.71	-52.25
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC=C1C)C1=NNN=N1	REAL000000000553	1	41	0.0	-15.58	348.00	-0.70	-16.28
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC=C1F)C1=NN=N[N-]1	REAL000000000554	0	37	-1.0	-55.07	333.10	-1.31	-56.38
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC=C1F)C1=N[N-]N=N1	REAL000000000554	1	37	-1.0	-55.06	333.04	-1.32	-56.38
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC=C1F)C1=NNN=N1	REAL000000000554	1	38	0.0	-15.28	329.30	-1.63	-16.92
CCCC(NC(=O)CCCNS(=O)(=O)C1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL000000000555	0	52	-1.0	-53.30	435.04	2.69	-50.61
CCCC(NC(=O)CCCNS(=O)(=O)C1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL000000000555	1	52	-1.0	-53.30	434.99	2.68	-50.62
CCCC(NC(=O)CCCNS(=O)(=O)C1=CC=C(C)C(C)=C1)C1=NNN=N1	REAL000000000555	1	53	0.0	-15.30	431.23	2.36	-12.93
CCCC(NC(=O)C=CC1=CC=C(Cl)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000000556	0	39	-1.0	-46.13	360.70	6.25	-39.88
CCCC(NC(=O)C=CC1=CC=C(Cl)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000000556	1	39	-1.0	-46.13	360.65	6.24	-39.89
CCCC(NC(=O)C=CC1=CC=C(Cl)C(C(F)(F)F)=C1)C1=NNN=N1	REAL000000000556	1	40	0.0	-10.02	356.84	5.93	-4.09
CCCC(NC(=O)C=CC1=CC(Cl)=C(OCC)C(OC)=C1)C1=NN=N[N-]1	REAL000000000557	0	47	-1.0	-46.02	409.35	5.67	-40.35
CCCC(NC(=O)C=CC1=CC(Cl)=C(OCC)C(OC)=C1)C1=N[N-]N=N1	REAL000000000557	1	47	-1.0	-46.02	409.30	5.68	-40.34
CCCC(NC(=O)C=CC1=CC(Cl)=C(OCC)C(OC)=C1)C1=NNN=N1	REAL000000000557	1	48	0.0	-12.81	412.73	5.68	-7.12
CCCOC1=C(Cl)C=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1OC	REAL000000000558	0	46	-1.0	-43.10	396.31	5.30	-37.80
CCCOC1=C(Cl)C=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1OC	REAL000000000558	1	46	-1.0	-43.11	396.25	5.29	-37.81
CCCOC1=C(Cl)C=C(C(=O)NC(CCC)C2=NNN=N2)C=C1OC	REAL000000000558	1	47	0.0	-8.01	392.50	4.98	-3.03
CCCC(NC(=O)C1=CC(Cl)=C(OCCC(C)C)C(OC)=C1)C1=NN=N[N-]1	REAL000000000559	0	52	-1.0	-42.98	435.38	6.61	-36.38
CCCC(NC(=O)C1=CC(Cl)=C(OCCC(C)C)C(OC)=C1)C1=N[N-]N=N1	REAL000000000559	1	52	-1.0	-42.98	435.32	6.60	-36.38
CCCC(NC(=O)C1=CC(Cl)=C(OCCC(C)C)C(OC)=C1)C1=NNN=N1	REAL000000000559	1	53	0.0	-10.36	438.75	6.62	-3.74
CCCCOC1=C(Cl)C=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1OCC	REAL000000000560	0	52	-1.0	-43.51	439.66	7.01	-36.50
CCCCOC1=C(Cl)C=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1OCC	REAL000000000560	1	52	-1.0	-43.50	439.61	7.00	-36.50
CCCCOC1=C(Cl)C=C(C(=O)NC(CCC)C2=NNN=N2)C=C1OCC	REAL000000000560	1	53	0.0	-10.40	443.04	7.02	-3.39
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C1=NN=N[N-]1	REAL000000000561	0	45	-1.0	-55.02	395.82	0.53	-54.49
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C1=N[N-]N=N1	REAL000000000561	1	45	-1.0	-55.01	395.76	0.53	-54.48
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C1=NNN=N1	REAL000000000561	1	46	0.0	-18.73	390.52	0.15	-18.59
CCCC(NC(=O)C=CC1=CC=C(Br)S1)C1=NN=N[N-]1	REAL000000000562	0	33	-1.0	-44.01	320.76	4.66	-39.35
CCCC(NC(=O)C=CC1=CC=C(Br)S1)C1=N[N-]N=N1	REAL000000000562	1	33	-1.0	-44.00	320.70	4.66	-39.34
CCCC(NC(=O)C=CC1=CC=C(Br)S1)C1=NNN=N1	REAL000000000562	1	34	0.0	-9.36	324.14	4.67	-4.70
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL000000000563	0	40	-1.0	-51.86	359.48	0.11	-51.75
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL000000000563	1	40	-1.0	-51.85	359.42	0.11	-51.74
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC(F)=C1)C1=NNN=N1	REAL000000000563	1	41	0.0	-15.15	355.67	-0.21	-15.35
CCCC(NC(=O)CN1C=CC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL000000000564	0	35	-1.0	-57.46	320.54	2.73	-54.73
CCCC(NC(=O)CN1C=CC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL000000000564	1	35	-1.0	-57.46	320.48	2.72	-54.74
CCCC(NC(=O)CN1C=CC(C(F)(F)F)=N1)C1=NNN=N1	REAL000000000564	1	36	0.0	-18.93	323.92	2.73	-16.19
CCCC(NC(=O)C1=CC=C(N2C(C)=CC=C2C)C=C1)C1=NN=N[N-]1	REAL000000000565	0	46	-1.0	-45.05	382.31	7.68	-37.37
CCCC(NC(=O)C1=CC=C(N2C(C)=CC=C2C)C=C1)C1=N[N-]N=N1	REAL000000000565	1	46	-1.0	-45.04	382.25	7.67	-37.37
CCCC(NC(=O)C1=CC=C(N2C(C)=CC=C2C)C=C1)C1=NNN=N1	REAL000000000565	1	47	0.0	-11.64	385.69	7.69	-3.95
CCCC(NC(=O)CCC1=CC=CC=C1OC)C1=NN=N[N-]1	REAL000000000566	0	42	-1.0	-46.95	348.70	4.49	-42.46
CCCC(NC(=O)CCC1=CC=CC=C1OC)C1=N[N-]N=N1	REAL000000000566	1	42	-1.0	-46.95	348.64	4.49	-42.46
CCCC(NC(=O)CCC1=CC=CC=C1OC)C1=NNN=N1	REAL000000000566	1	43	0.0	-11.79	352.07	4.50	-7.29
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(CC)C=C2)C1)C1=NN=N[N-]1	REAL000000000567	0	49	-1.0	-48.78	396.03	6.03	-42.75
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(CC)C=C2)C1)C1=N[N-]N=N1	REAL000000000567	1	49	-1.0	-48.77	395.97	6.02	-42.75
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(CC)C=C2)C1)C1=NNN=N1	REAL000000000567	1	50	0.0	-20.01	398.69	6.15	-13.86
CCCC(NC(=O)COC(C1=CC=CC=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000000568	0	49	-1.0	-53.28	411.84	8.51	-44.77
CCCC(NC(=O)COC(C1=CC=CC=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000000568	1	49	-1.0	-53.28	411.78	8.50	-44.78
CCCC(NC(=O)COC(C1=CC=CC=C1)C1=CC=CC=C1)C1=NNN=N1	REAL000000000568	1	50	0.0	-15.33	415.21	8.51	-6.81
CCCC(NC(=O)CSCC1=CC=CS1)C1=NN=N[N-]1	REAL000000000569	0	36	-1.0	-47.65	333.63	4.78	-42.87
CCCC(NC(=O)CSCC1=CC=CS1)C1=N[N-]N=N1	REAL000000000569	1	36	-1.0	-47.64	333.58	4.77	-42.87
CCCC(NC(=O)CSCC1=CC=CS1)C1=NNN=N1	REAL000000000569	1	37	0.0	-10.04	329.82	4.46	-5.58
CCCC(NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)C1=NN=N[N-]1	REAL000000000570	0	58	-1.0	-55.62	431.68	3.39	-52.23
CCCC(NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)C1=N[N-]N=N1	REAL000000000570	1	58	-1.0	-55.61	431.62	3.39	-52.22
CCCC(NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)C1=NNN=N1	REAL000000000570	1	59	0.0	-19.58	435.06	3.40	-16.18
CCCC(NC(=O)C1=NN(C2=CC=CC(C)=C2)C(=O)CC1)C1=NN=N[N-]1	REAL000000000571	0	46	-1.0	-44.78	385.08	4.97	-39.82
CCCC(NC(=O)C1=NN(C2=CC=CC(C)=C2)C(=O)CC1)C1=N[N-]N=N1	REAL000000000571	1	46	-1.0	-44.77	385.02	4.97	-39.81
CCCC(NC(=O)C1=NN(C2=CC=CC(C)=C2)C(=O)CC1)C1=NNN=N1	REAL000000000571	1	47	0.0	-12.59	388.44	4.98	-7.61
CCCC(NC(=O)C=CC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000000572	0	36	-1.0	-44.91	330.18	5.45	-39.46
CCCC(NC(=O)C=CC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000000572	1	36	-1.0	-44.91	330.12	5.45	-39.45
CCCC(NC(=O)C=CC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000000572	1	37	0.0	-10.70	333.55	5.46	-5.24
CCCC(NC(=O)CCSC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000000573	0	39	-1.0	-44.10	345.57	5.66	-38.44
CCCC(NC(=O)CCSC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000000573	1	39	-1.0	-44.10	345.52	5.66	-38.44
CCCC(NC(=O)CCSC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000000573	1	40	0.0	-10.59	348.95	5.67	-4.92
CCCC(NC(=O)CN1C(=O)NC2(CCC3=CC=CC=C32)C1=O)C1=NN=N[N-]1	REAL000000000574	0	48	-1.0	-54.17	403.24	3.58	-50.58
CCCC(NC(=O)CN1C(=O)NC2(CCC3=CC=CC=C32)C1=O)C1=N[N-]N=N1	REAL000000000574	1	48	-1.0	-54.17	403.18	3.57	-50.60
CCCC(NC(=O)CN1C(=O)NC2(CCC3=CC=CC=C32)C1=O)C1=NNN=N1	REAL000000000574	1	49	0.0	-18.63	406.57	3.59	-15.04
CCCC(NC(=O)CSC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000000575	0	39	-1.0	-46.74	338.90	5.46	-41.28
CCCC(NC(=O)CSC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000000575	1	39	-1.0	-46.73	338.85	5.45	-41.28
CCCC(NC(=O)CSC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000000575	1	40	0.0	-9.32	335.10	5.14	-4.18
CCCC(NC(=O)CSC1=CC=C(C)C=C1C)C1=NN=N[N-]1	REAL000000000576	0	42	-1.0	-46.63	357.41	6.04	-40.59
CCCC(NC(=O)CSC1=CC=C(C)C=C1C)C1=N[N-]N=N1	REAL000000000576	1	42	-1.0	-46.63	357.35	6.04	-40.59
CCCC(NC(=O)CSC1=CC=C(C)C=C1C)C1=NNN=N1	REAL000000000576	1	43	0.0	-12.21	360.78	6.05	-6.16
CCCC(NC(=O)C1=CC2=C(CCCC2=O)NC1=O)C1=NN=N[N-]1	REAL000000000577	0	41	-1.0	-64.21	341.99	2.42	-61.79
CCCC(NC(=O)C1=CC2=C(CCCC2=O)NC1=O)C1=N[N-]N=N1	REAL000000000577	1	41	-1.0	-64.21	341.93	2.41	-61.80
CCCC(NC(=O)C1=CC2=C(CCCC2=O)NC1=O)C1=NNN=N1	REAL000000000577	1	42	0.0	-22.61	345.54	2.41	-20.20
CCCC(NC(=O)CN1C(=O)OC2=CC(S(N)(=O)=O)=CC=C21)C1=NN=N[N-]1	REAL000000000578	0	43	-1.0	-52.33	386.63	-0.82	-53.14
CCCC(NC(=O)CN1C(=O)OC2=CC(S(N)(=O)=O)=CC=C21)C1=N[N-]N=N1	REAL000000000578	1	43	-1.0	-52.33	386.57	-0.83	-53.15
CCCC(NC(=O)CN1C(=O)OC2=CC(S(N)(=O)=O)=CC=C21)C1=NNN=N1	REAL000000000578	1	44	0.0	-27.82	390.00	-0.81	-28.62
CCCC(NC(=O)CN1C(=O)C2=CC=C(C)C=C2C1=O)C1=NN=N[N-]1	REAL000000000579	0	42	-1.0	-55.55	365.57	4.17	-51.38
CCCC(NC(=O)CN1C(=O)C2=CC=C(C)C=C2C1=O)C1=N[N-]N=N1	REAL000000000579	1	42	-1.0	-55.55	365.52	4.17	-51.38
CCCC(NC(=O)CN1C(=O)C2=CC=C(C)C=C2C1=O)C1=NNN=N1	REAL000000000579	1	43	0.0	-17.60	368.95	4.18	-13.42
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1C)C1=NN=N[N-]1	REAL000000000580	0	46	-1.0	-50.40	386.00	2.35	-48.05
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1C)C1=N[N-]N=N1	REAL000000000580	1	46	-1.0	-50.39	385.94	2.34	-48.05
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1C)C1=NNN=N1	REAL000000000580	1	47	0.0	-12.04	382.90	1.98	-10.07
CCCC(NC(=O)C1=CC=C(OC)C(S(=O)(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL000000000581	0	47	-1.0	-56.95	392.08	1.57	-55.39
CCCC(NC(=O)C1=CC=C(OC)C(S(=O)(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL000000000581	1	47	-1.0	-56.95	392.03	1.57	-55.38
CCCC(NC(=O)C1=CC=C(OC)C(S(=O)(=O)N(C)C)=C1)C1=NNN=N1	REAL000000000581	1	48	0.0	-20.94	396.23	1.59	-19.34
C=CCNS(=O)(=O)C1=CC=CC(C(=O)NC(CCC)C2=NN=N[N-]2)=C1	REAL000000000582	0	44	-1.0	-52.47	384.78	1.21	-51.26
C=CCNS(=O)(=O)C1=CC=CC(C(=O)NC(CCC)C2=N[N-]N=N2)=C1	REAL000000000582	1	44	-1.0	-52.46	384.72	1.20	-51.26
C=CCNS(=O)(=O)C1=CC=CC(C(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000000582	1	45	0.0	-18.83	388.16	1.22	-17.61
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL000000000583	0	37	-1.0	-49.62	328.48	-1.39	-51.01
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL000000000583	1	37	-1.0	-49.62	328.43	-1.40	-51.02
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C=C1)C1=NNN=N1	REAL000000000583	1	38	0.0	-14.01	324.72	-1.71	-15.72
CCCC(NC(=O)C1=CC(S(=O)(=O)NC)=CC=C1Cl)C1=NN=N[N-]1	REAL000000000584	0	40	-1.0	-49.09	363.45	0.35	-48.74
CCCC(NC(=O)C1=CC(S(=O)(=O)NC)=CC=C1Cl)C1=N[N-]N=N1	REAL000000000584	1	40	-1.0	-49.09	363.39	0.35	-48.74
CCCC(NC(=O)C1=CC(S(=O)(=O)NC)=CC=C1Cl)C1=NNN=N1	REAL000000000584	1	41	0.0	-15.86	366.83	0.36	-15.50
CCCC(NC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL000000000585	0	43	-1.0	-52.06	375.43	1.95	-50.11
CCCC(NC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL000000000585	1	43	-1.0	-52.06	375.38	1.95	-50.11
CCCC(NC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)C)=C1)C1=NNN=N1	REAL000000000585	1	44	0.0	-14.09	371.01	1.55	-12.54
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000000586	0	49	-1.0	-51.73	397.08	1.63	-50.10
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000000586	1	49	-1.0	-51.73	397.02	1.62	-50.11
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1)C1=NNN=N1	REAL000000000586	1	50	0.0	-18.38	400.47	1.62	-16.76
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NCC)=C1)C1=NN=N[N-]1	REAL000000000587	0	43	-1.0	-52.64	371.97	0.67	-51.97
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NCC)=C1)C1=N[N-]N=N1	REAL000000000587	1	43	-1.0	-52.65	371.91	0.68	-51.97
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NCC)=C1)C1=NNN=N1	REAL000000000587	1	44	0.0	-14.97	368.16	0.36	-14.61
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC(C)C)C=C1)C1=NN=N[N-]1	REAL000000000588	0	46	-1.0	-48.24	389.17	1.24	-47.00
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC(C)C)C=C1)C1=N[N-]N=N1	REAL000000000588	1	46	-1.0	-48.23	389.11	1.24	-46.99
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC(C)C)C=C1)C1=NNN=N1	REAL000000000588	1	47	0.0	-16.01	392.55	1.25	-14.76
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000000589	0	49	-1.0	-47.68	397.05	1.63	-46.05
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000000589	1	49	-1.0	-47.69	397.00	1.62	-46.06
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C)C=C1)C1=NNN=N1	REAL000000000589	1	50	0.0	-12.31	393.24	1.31	-11.00
CCCC(NC(=O)CCS(=O)(=O)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000000590	0	45	-1.0	-50.44	389.13	1.46	-48.97
CCCC(NC(=O)CCS(=O)(=O)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000000590	1	45	-1.0	-50.44	389.07	1.45	-48.98
CCCC(NC(=O)CCS(=O)(=O)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000000590	1	46	0.0	-17.16	392.50	1.47	-15.68
CCCC(NC(=O)CCS(=O)(=O)C1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL000000000591	0	47	-1.0	-51.69	404.14	1.31	-50.38
CCCC(NC(=O)CCS(=O)(=O)C1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL000000000591	1	47	-1.0	-51.68	404.08	1.30	-50.38
CCCC(NC(=O)CCS(=O)(=O)C1=CC=C2OCCOC2=C1)C1=NNN=N1	REAL000000000591	1	48	0.0	-16.67	400.32	0.99	-15.68
CCCC(NC(=O)C(C)OC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL000000000592	0	40	-1.0	-49.04	346.13	5.20	-43.84
CCCC(NC(=O)C(C)OC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL000000000592	1	40	-1.0	-49.03	346.08	5.19	-43.84
CCCC(NC(=O)C(C)OC1=CC=C(C#N)C=C1)C1=NNN=N1	REAL000000000592	1	41	0.0	-12.73	341.53	4.83	-7.90
CCCC(NC(=O)C1=CC(C(=O)OCC)=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000000593	0	43	-1.0	-44.58	379.14	5.90	-38.69
CCCC(NC(=O)C1=CC(C(=O)OCC)=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000000593	1	43	-1.0	-44.58	379.09	5.89	-38.70
CCCC(NC(=O)C1=CC(C(=O)OCC)=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000593	1	44	0.0	-12.42	382.52	5.90	-6.51
CCCC(NC(=O)C=CC1=CC=C(OC)C(S(=O)(=O)NC)=C1)C1=NN=N[N-]1	REAL000000000594	0	48	-1.0	-54.49	413.39	0.87	-53.62
CCCC(NC(=O)C=CC1=CC=C(OC)C(S(=O)(=O)NC)=C1)C1=N[N-]N=N1	REAL000000000594	1	48	-1.0	-54.48	413.33	0.86	-53.63
CCCC(NC(=O)C=CC1=CC=C(OC)C(S(=O)(=O)NC)=C1)C1=NNN=N1	REAL000000000594	1	49	0.0	-20.87	408.83	0.91	-19.95
CCCC(NC(=O)CCC(=O)C1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL000000000595	0	50	-1.0	-45.20	403.33	7.45	-37.74
CCCC(NC(=O)CCC(=O)C1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL000000000595	1	50	-1.0	-45.20	403.27	7.45	-37.74
CCCC(NC(=O)CCC(=O)C1=CC=C2CCCCC2=C1)C1=NNN=N1	REAL000000000595	1	51	0.0	-11.22	406.72	7.47	-3.75
CCCC(NC(=O)CN1C(=O)C2=C(N=CN2C)N(C)C1=O)C1=NN=N[N-]1	REAL000000000596	0	44	-1.0	-59.24	372.86	4.67	-54.57
CCCC(NC(=O)CN1C(=O)C2=C(N=CN2C)N(C)C1=O)C1=N[N-]N=N1	REAL000000000596	1	44	-1.0	-59.24	372.80	4.67	-54.58
CCCC(NC(=O)CN1C(=O)C2=C(N=CN2C)N(C)C1=O)C1=NNN=N1	REAL000000000596	1	45	0.0	-17.74	369.01	4.35	-13.39
CCCC(NC(=O)C(C)OC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000000597	0	39	-1.0	-47.65	331.73	4.86	-42.79
CCCC(NC(=O)C(C)OC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000000597	1	39	-1.0	-47.65	331.67	4.85	-42.79
CCCC(NC(=O)C(C)OC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000000597	1	40	0.0	-10.35	327.14	4.49	-5.86
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL000000000598	0	43	-1.0	-48.39	387.84	0.81	-47.58
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL000000000598	1	43	-1.0	-48.38	387.78	0.80	-47.59
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=C(F)C(F)=C1)C1=NNN=N1	REAL000000000598	1	44	0.0	-17.24	391.22	0.82	-16.43
CCCC(NC(=O)CCC(=O)C1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL000000000599	0	47	-1.0	-45.48	386.14	6.87	-38.60
CCCC(NC(=O)CCC(=O)C1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL000000000599	1	47	-1.0	-45.46	386.09	6.88	-38.59
CCCC(NC(=O)CCC(=O)C1=CC=C2CCCC2=C1)C1=NNN=N1	REAL000000000599	1	48	0.0	-9.55	382.34	6.56	-2.99
CCCC(NC(=O)C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1)C1=NN=N[N-]1	REAL000000000600	0	46	-1.0	-48.15	390.06	-0.22	-48.37
CCCC(NC(=O)C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1)C1=N[N-]N=N1	REAL000000000600	1	46	-1.0	-48.15	390.00	-0.22	-48.37
CCCC(NC(=O)C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1)C1=NNN=N1	REAL000000000600	1	47	0.0	-18.33	393.44	-0.21	-18.54
CCCC(NC(=O)C=CC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000000601	0	39	-1.0	-45.13	347.57	5.83	-39.30
CCCC(NC(=O)C=CC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000000601	1	39	-1.0	-45.13	347.52	5.83	-39.30
CCCC(NC(=O)C=CC1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000000601	1	40	0.0	-11.48	350.95	5.84	-5.63
CCCC(NC(=O)CN1C(=O)NC(CC)(CC)C1=O)C1=NN=N[N-]1	REAL000000000602	0	46	-1.0	-54.60	376.02	2.21	-52.39
CCCC(NC(=O)CN1C(=O)NC(CC)(CC)C1=O)C1=N[N-]N=N1	REAL000000000602	1	46	-1.0	-54.61	375.96	2.21	-52.39
CCCC(NC(=O)CN1C(=O)NC(CC)(CC)C1=O)C1=NNN=N1	REAL000000000602	1	47	0.0	-16.73	379.40	2.22	-14.50
CCCC(NC(=O)C1=CC(Cl)=C(O)C(OCC)=C1)C1=NN=N[N-]1	REAL000000000603	0	40	-1.0	-44.42	352.39	2.29	-42.13
CCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2C)C(=O)CC1)C1=NN=N[N-]1	REAL000000000604	0	49	-1.0	-44.07	403.82	5.94	-38.13
CCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2C)C(=O)CC1)C1=N[N-]N=N1	REAL000000000604	1	49	-1.0	-44.07	403.76	5.95	-38.13
CCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2C)C(=O)CC1)C1=NNN=N1	REAL000000000604	1	50	0.0	-11.34	398.42	5.56	-5.78
CCCC(NC(=O)CSC1=NN=C(C2=CC=CO2)N1CC)C1=NN=N[N-]1	REAL000000000605	0	45	-1.0	-49.10	397.89	5.79	-43.31
CCCC(NC(=O)CSC1=NN=C(C2=CC=CO2)N1CC)C1=N[N-]N=N1	REAL000000000605	1	45	-1.0	-49.09	397.83	5.79	-43.30
CCCC(NC(=O)CSC1=NN=C(C2=CC=CO2)N1CC)C1=NNN=N1	REAL000000000605	1	46	0.0	-15.54	401.27	5.81	-9.74
CCCC(NC(=O)CSC1=NN=C(C2=CC=CS2)N1CC)C1=NN=N[N-]1	REAL000000000606	0	45	-1.0	-48.39	404.37	6.53	-41.85
CCCC(NC(=O)CSC1=NN=C(C2=CC=CS2)N1CC)C1=N[N-]N=N1	REAL000000000606	1	45	-1.0	-48.37	404.32	6.54	-41.84
CCCC(NC(=O)CSC1=NN=C(C2=CC=CS2)N1CC)C1=NNN=N1	REAL000000000606	1	46	0.0	-14.87	406.06	6.53	-8.35
CCCC(NC(=O)C1=CC=C2C(=O)N(CC3=CC=CO3)C(=O)C2=C1)C1=NN=N[N-]1	REAL000000000607	0	46	-1.0	-50.80	402.69	5.04	-45.76
CCCC(NC(=O)C1=CC=C2C(=O)N(CC3=CC=CO3)C(=O)C2=C1)C1=N[N-]N=N1	REAL000000000607	1	46	-1.0	-50.80	402.63	5.04	-45.76
CCCC(NC(=O)C1=CC=C2C(=O)N(CC3=CC=CO3)C(=O)C2=C1)C1=NNN=N1	REAL000000000607	1	47	0.0	-14.77	398.87	4.72	-10.04
CCCC(NC(=O)CSCC(=O)N1CCOCC1)C1=NN=N[N-]1	REAL000000000608	0	44	-1.0	-57.13	371.80	1.87	-55.26
CCCC(NC(=O)CSCC(=O)N1CCOCC1)C1=N[N-]N=N1	REAL000000000608	1	44	-1.0	-57.12	371.74	1.86	-55.27
CCCC(NC(=O)CSCC(=O)N1CCOCC1)C1=NNN=N1	REAL000000000608	1	45	0.0	-22.05	375.18	1.88	-20.17
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000000609	0	43	-1.0	-48.19	391.86	1.19	-47.00
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000000609	1	43	-1.0	-48.18	391.80	1.18	-47.00
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000000609	1	44	0.0	-14.10	388.06	0.86	-13.24
CCCC(NC(=O)C(C)OC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000000610	0	51	-1.0	-49.10	400.71	7.18	-41.92
CCCC(NC(=O)C(C)OC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000000610	1	51	-1.0	-49.10	400.65	7.18	-41.91
CCCC(NC(=O)C(C)OC1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000000610	1	52	0.0	-10.03	396.90	6.77	-3.26
CCCC(NC(=O)CSC1=NN=C(C)N1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000000611	0	48	-1.0	-50.93	414.27	7.58	-43.35
CCCC(NC(=O)CSC1=NN=C(C)N1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000000611	1	48	-1.0	-50.92	414.21	7.58	-43.34
CCCC(NC(=O)CSC1=NN=C(C)N1CC1=CC=CC=C1)C1=NNN=N1	REAL000000000611	1	49	0.0	-15.93	417.64	7.59	-8.34
CCCC(NC(=O)C(C)NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000000612	0	44	-1.0	-48.90	381.08	3.67	-45.24
CCCC(NC(=O)C(C)NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000000612	1	44	-1.0	-48.90	381.02	3.66	-45.24
CCCC(NC(=O)C(C)NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000612	1	45	0.0	-17.81	384.45	3.68	-14.13
CCCC(NC(=O)C(C)NC(=O)C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL000000000613	0	45	-1.0	-47.01	374.29	3.66	-43.35
CCCC(NC(=O)C(C)NC(=O)C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL000000000613	1	45	-1.0	-46.99	374.24	3.66	-43.33
CCCC(NC(=O)C(C)NC(=O)C1=CC=CC(C)=C1)C1=NNN=N1	REAL000000000613	1	46	0.0	-13.12	377.66	3.67	-9.44
CCCC(NC(=O)C(C)OC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000000614	0	39	-1.0	-47.31	346.62	5.42	-41.89
CCCC(NC(=O)C(C)OC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000000614	1	39	-1.0	-47.31	346.56	5.41	-41.90
CCCC(NC(=O)C(C)OC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000000614	1	40	0.0	-13.24	349.21	5.47	-7.77
CCCC(NC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)C1=NN=N[N-]1	REAL000000000615	0	56	-1.0	-42.88	412.89	4.72	-38.16
CCCC(NC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)C1=N[N-]N=N1	REAL000000000615	1	56	-1.0	-42.88	412.83	4.71	-38.16
CCCC(NC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)C1=NNN=N1	REAL000000000615	1	57	0.0	-10.18	416.26	4.73	-5.45
CCCC(NC(=O)CN1C(=O)NC2(CC(C)CC(C)(C)C2)C1=O)C1=NN=N[N-]1	REAL000000000616	0	56	-1.0	-53.95	432.32	3.73	-50.22
CCCC(NC(=O)CN1C(=O)NC2(CC(C)CC(C)(C)C2)C1=O)C1=N[N-]N=N1	REAL000000000616	1	56	-1.0	-53.95	432.26	3.74	-50.22
CCCC(NC(=O)CN1C(=O)NC2(CC(C)CC(C)(C)C2)C1=O)C1=NNN=N1	REAL000000000616	1	57	0.0	-15.87	435.69	3.74	-12.13
CCCC(NC(=O)C=CC1=C(C)N(C2=CC=C(F)C=C2)N=C1C)C1=NN=N[N-]1	REAL000000000617	0	49	-1.0	-47.86	415.11	7.17	-40.69
CCCC(NC(=O)C=CC1=C(C)N(C2=CC=C(F)C=C2)N=C1C)C1=N[N-]N=N1	REAL000000000617	1	49	-1.0	-47.86	415.06	7.16	-40.70
CCCC(NC(=O)C=CC1=C(C)N(C2=CC=C(F)C=C2)N=C1C)C1=NNN=N1	REAL000000000617	1	50	0.0	-10.99	411.28	6.85	-4.14
CCCC(NC(=O)CCOC1=CC(C)=CC=C1C)C1=NN=N[N-]1	REAL000000000618	0	45	-1.0	-45.87	370.33	5.39	-40.48
CCCC(NC(=O)CCOC1=CC(C)=CC=C1C)C1=N[N-]N=N1	REAL000000000618	1	45	-1.0	-45.87	370.28	5.39	-40.48
CCCC(NC(=O)CCOC1=CC(C)=CC=C1C)C1=NNN=N1	REAL000000000618	1	46	0.0	-11.29	373.71	5.40	-5.88
CCCC(NC(=O)CCOC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000000619	0	43	-1.0	-45.43	358.35	3.26	-42.17
CCCC(NC(=O)CCOC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000000619	1	43	-1.0	-45.42	358.29	3.26	-42.16
CCCC(NC(=O)CCOC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000000619	1	44	0.0	-11.78	361.73	3.27	-8.51
CCCC(NC(=O)CCOC1=CC=CC=C1C)C1=NN=N[N-]1	REAL000000000620	0	42	-1.0	-45.59	348.92	4.72	-40.88
CCCC(NC(=O)CCOC1=CC=CC=C1C)C1=N[N-]N=N1	REAL000000000620	1	42	-1.0	-45.59	348.86	4.72	-40.87
CCCC(NC(=O)CCOC1=CC=CC=C1C)C1=NNN=N1	REAL000000000620	1	43	0.0	-11.14	352.30	4.73	-6.42
CCCC(NC(=O)COC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000000621	0	36	-1.0	-47.30	329.19	4.84	-42.46
CCCC(NC(=O)COC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000000621	1	36	-1.0	-47.30	329.13	4.83	-42.47
CCCC(NC(=O)COC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000000621	1	37	0.0	-13.68	332.57	4.84	-8.84
CCCC(NC(=O)COC1=CC=C(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000000622	0	46	-1.0	-49.97	382.06	7.65	-42.32
CCCC(NC(=O)COC1=CC=C(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000000622	1	46	-1.0	-49.96	382.00	7.66	-42.31
CCCC(NC(=O)COC1=CC=C(C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000000622	1	47	0.0	-15.39	385.44	7.66	-7.73
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NCC)C=C1)C1=NN=N[N-]1	REAL000000000623	0	43	-1.0	-48.48	371.95	0.68	-47.81
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NCC)C=C1)C1=N[N-]N=N1	REAL000000000623	1	43	-1.0	-48.48	371.90	0.68	-47.80
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NCC)C=C1)C1=NNN=N1	REAL000000000623	1	44	0.0	-16.30	375.33	0.69	-15.62
C=CCNS(=O)(=O)C1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000000624	0	44	-1.0	-48.36	384.76	1.21	-47.15
C=CCNS(=O)(=O)C1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000000624	1	44	-1.0	-48.34	384.70	1.20	-47.14
C=CCNS(=O)(=O)C1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000000624	1	45	0.0	-16.18	388.13	1.22	-14.96
CCCC(NC(=O)CC1=CC=C2C=CC=CC2=C1)C1=NN=N[N-]1	REAL000000000625	0	41	-1.0	-48.35	345.09	6.55	-41.80
CCCC(NC(=O)CC1=CC=C2C=CC=CC2=C1)C1=N[N-]N=N1	REAL000000000625	1	41	-1.0	-48.35	345.04	6.55	-41.80
CCCC(NC(=O)CC1=CC=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000000625	1	42	0.0	-13.36	348.47	6.57	-6.80
CCCC(NC(=O)CCC(=O)C1=CC=C(SC)C=C1)C1=NN=N[N-]1	REAL000000000626	0	44	-1.0	-44.81	379.50	5.93	-38.88
CCCC(NC(=O)CCC(=O)C1=CC=C(SC)C=C1)C1=N[N-]N=N1	REAL000000000626	1	44	-1.0	-44.81	379.44	5.93	-38.87
CCCC(NC(=O)CCC(=O)C1=CC=C(SC)C=C1)C1=NNN=N1	REAL000000000626	1	45	0.0	-11.79	382.88	5.94	-5.85
CCCOC1=C(Cl)C=C(C=CC(=O)NC(CCC)C2=NN=N[N-]2)C=C1OC	REAL000000000627	0	50	-1.0	-45.84	430.85	6.48	-39.35
CCCOC1=C(Cl)C=C(C=CC(=O)NC(CCC)C2=N[N-]N=N2)C=C1OC	REAL000000000627	1	50	-1.0	-45.83	430.80	6.48	-39.34
CCCOC1=C(Cl)C=C(C=CC(=O)NC(CCC)C2=NNN=N2)C=C1OC	REAL000000000627	1	51	0.0	-10.05	427.03	6.17	-3.88
CCCC(NC(=O)C=CC1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL000000000628	0	36	-1.0	-44.79	331.46	5.41	-39.38
CCCC(NC(=O)C=CC1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL000000000628	1	36	-1.0	-44.78	331.40	5.40	-39.38
CCCC(NC(=O)C=CC1=CC=C(F)C(Cl)=C1)C1=NNN=N1	REAL000000000628	1	37	0.0	-11.16	334.83	5.42	-5.75
CCCC(NC(=O)C=CC1=CC=C(Br)C(Cl)=C1)C1=NN=N[N-]1	REAL000000000629	0	36	-1.0	-44.28	344.98	5.91	-38.38
CCCC(NC(=O)C=CC1=CC=C(Br)C(Cl)=C1)C1=N[N-]N=N1	REAL000000000629	1	36	-1.0	-44.28	344.92	5.91	-38.37
CCCC(NC(=O)C=CC1=CC=C(Br)C(Cl)=C1)C1=NNN=N1	REAL000000000629	1	37	0.0	-10.59	348.35	5.91	-4.67
CCCC(NC(=O)C(C)OC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000000630	0	39	-1.0	-49.65	342.06	5.31	-44.34
CCCC(NC(=O)C(C)OC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000000630	1	39	-1.0	-49.65	342.00	5.31	-44.34
CCCC(NC(=O)C(C)OC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000000630	1	40	0.0	-14.89	345.43	5.32	-9.57
CCCC(NC(=O)C=CC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL000000000631	0	36	-1.0	-48.54	327.17	5.35	-43.18
CCCC(NC(=O)C=CC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL000000000631	1	36	-1.0	-48.54	327.11	5.36	-43.19
CCCC(NC(=O)C=CC1=CC=CC=C1Br)C1=NNN=N1	REAL000000000631	1	37	0.0	-9.43	323.30	5.03	-4.40
CCCC(NC(=O)C=CC1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL000000000632	0	36	-1.0	-47.43	339.73	5.76	-41.67
CCCC(NC(=O)C=CC1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL000000000632	1	36	-1.0	-47.42	339.67	5.75	-41.67
CCCC(NC(=O)C=CC1=C(Cl)C=CC=C1Cl)C1=NNN=N1	REAL000000000632	1	37	0.0	-10.93	343.06	5.77	-5.17
CCCC(NC(=O)C1=C(C)N(C(C)C)C(C)=C1)C1=NN=N[N-]1	REAL000000000633	0	45	-1.0	-49.70	351.59	5.38	-44.32
CCCC(NC(=O)C1=C(C)N(C(C)C)C(C)=C1)C1=N[N-]N=N1	REAL000000000633	1	45	-1.0	-49.71	351.53	5.37	-44.34
CCCC(NC(=O)C1=C(C)N(C(C)C)C(C)=C1)C1=NNN=N1	REAL000000000633	1	46	0.0	-8.58	347.79	5.06	-3.52
CCCC(NC(=O)C1CCN(C(=O)OCC)CC1)C1=NN=N[N-]1	REAL000000000634	0	46	-1.0	-51.49	369.83	3.51	-47.98
CCCC(NC(=O)C1CCN(C(=O)OCC)CC1)C1=N[N-]N=N1	REAL000000000634	1	46	-1.0	-51.49	369.77	3.51	-47.98
CCCC(NC(=O)C1CCN(C(=O)OCC)CC1)C1=NNN=N1	REAL000000000634	1	47	0.0	-12.79	366.03	3.19	-9.60
CCCC(NC(=O)COC1=CC=C(Br)C=C1F)C1=NN=N[N-]1	REAL000000000635	0	36	-1.0	-51.06	335.42	4.91	-46.15
CCCC(NC(=O)COC1=CC=C(Br)C=C1F)C1=N[N-]N=N1	REAL000000000635	1	36	-1.0	-51.06	335.36	4.90	-46.16
CCCC(NC(=O)COC1=CC=C(Br)C=C1F)C1=NNN=N1	REAL000000000635	1	37	0.0	-13.33	331.57	4.48	-8.85
CCCC(NC(=O)COC1=CC=CC=C1C(C)C)C1=NN=N[N-]1	REAL000000000636	0	45	-1.0	-49.61	366.51	6.20	-43.41
CCCC(NC(=O)COC1=CC=CC=C1C(C)C)C1=N[N-]N=N1	REAL000000000636	1	45	-1.0	-49.60	366.45	6.20	-43.40
CCCC(NC(=O)COC1=CC=CC=C1C(C)C)C1=NNN=N1	REAL000000000636	1	46	0.0	-13.86	369.89	6.21	-7.65
CCCCOC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1OCC	REAL000000000637	0	52	-1.0	-47.86	419.67	6.33	-41.52
CCCCOC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1OCC	REAL000000000637	1	52	-1.0	-47.86	419.62	6.34	-41.53
CCCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1OCC	REAL000000000637	1	53	0.0	-13.48	423.05	6.34	-7.14
CCCCOC1=CC=C(C=CC(=O)NC(CCC)C2=NN=N[N-]2)C=C1OCC	REAL000000000638	0	56	-1.0	-48.26	454.22	7.52	-40.74
CCCCOC1=CC=C(C=CC(=O)NC(CCC)C2=N[N-]N=N2)C=C1OCC	REAL000000000638	1	56	-1.0	-48.26	454.16	7.52	-40.74
CCCCOC1=CC=C(C=CC(=O)NC(CCC)C2=NNN=N2)C=C1OCC	REAL000000000638	1	57	0.0	-14.04	457.59	7.53	-6.51
CCCC(NC(=O)C=CC1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL000000000639	0	38	-1.0	-47.07	343.82	4.54	-42.53
CCCC(NC(=O)C=CC1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL000000000639	1	38	-1.0	-47.07	343.76	4.54	-42.53
CCCC(NC(=O)C=CC1=NC2=CC=CC=C2S1)C1=NNN=N1	REAL000000000639	1	39	0.0	-11.90	347.19	4.55	-7.35
CCCC(NC(=O)C=CC1=CC=C2C=CC=CC2=N1)C1=NN=N[N-]1	REAL000000000640	0	41	-1.0	-48.86	352.67	5.45	-43.41
CCCC(NC(=O)C=CC1=CC=C2C=CC=CC2=N1)C1=N[N-]N=N1	REAL000000000640	1	41	-1.0	-48.85	352.61	5.45	-43.41
CCCC(NC(=O)C=CC1=CC=C2C=CC=CC2=N1)C1=NNN=N1	REAL000000000640	1	42	0.0	-12.62	356.04	5.46	-7.16
CCCC(NC(=O)COC1=C(C)C=CC=C1C)C1=NN=N[N-]1	REAL000000000641	0	42	-1.0	-48.82	349.64	5.68	-43.14
CCCC(NC(=O)COC1=C(C)C=CC=C1C)C1=N[N-]N=N1	REAL000000000641	1	42	-1.0	-48.82	349.59	5.67	-43.14
CCCC(NC(=O)COC1=C(C)C=CC=C1C)C1=NNN=N1	REAL000000000641	1	43	0.0	-12.90	353.02	5.69	-7.21
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2C(C)CC)C1)C1=NN=N[N-]1	REAL000000000642	0	55	-1.0	-46.61	438.13	7.98	-38.63
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2C(C)CC)C1)C1=N[N-]N=N1	REAL000000000642	1	55	-1.0	-46.61	438.07	7.98	-38.62
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2C(C)CC)C1)C1=NNN=N1	REAL000000000642	1	56	0.0	-18.31	441.32	8.00	-10.31
CCCC(NC(=O)CCNC(=O)C1=CC=CO1)C1=NN=N[N-]1	REAL000000000643	0	39	-1.0	-53.62	339.68	0.77	-52.85
CCCC(NC(=O)CCNC(=O)C1=CC=CO1)C1=N[N-]N=N1	REAL000000000643	1	39	-1.0	-53.63	339.63	0.77	-52.86
CCCC(NC(=O)CCNC(=O)C1=CC=CO1)C1=NNN=N1	REAL000000000643	1	40	0.0	-18.70	343.06	0.78	-17.92
CCCC(NC(=O)CNC(=O)CC1=C2C=CC=CC2=CC=C1)C1=NN=N[N-]1	REAL000000000644	0	48	-1.0	-46.75	400.63	4.93	-41.82
CCCC(NC(=O)CNC(=O)CC1=C2C=CC=CC2=CC=C1)C1=N[N-]N=N1	REAL000000000644	1	48	-1.0	-46.74	400.57	4.92	-41.82
CCCC(NC(=O)CNC(=O)CC1=C2C=CC=CC2=CC=C1)C1=NNN=N1	REAL000000000644	1	49	0.0	-14.70	404.01	4.94	-9.76
CCCC(NC(=O)CCNC(=O)C1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000000645	0	42	-1.0	-53.36	376.74	3.40	-49.96
CCCC(NC(=O)CCNC(=O)C1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000000645	1	42	-1.0	-53.35	376.68	3.39	-49.96
CCCC(NC(=O)CCNC(=O)C1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000000645	1	43	0.0	-15.89	372.95	3.07	-12.82
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000000646	0	43	-1.0	-49.66	375.12	0.68	-48.98
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000000646	1	43	-1.0	-49.66	375.06	0.67	-48.99
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000000646	1	44	0.0	-17.20	378.50	0.68	-16.52
CCCC(NC(=O)C(C)NC(=O)C=CC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000000647	0	50	-1.0	-44.84	416.83	3.50	-41.34
CCCC(NC(=O)C(C)NC(=O)C=CC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000000647	1	50	-1.0	-44.83	416.78	3.50	-41.33
CCCC(NC(=O)C(C)NC(=O)C=CC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000000647	1	51	0.0	-13.14	420.21	3.51	-9.63
CCCC(NC(=O)COC1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL000000000648	0	36	-1.0	-50.33	343.90	5.42	-44.91
CCCC(NC(=O)COC1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL000000000648	1	36	-1.0	-50.32	343.84	5.41	-44.91
CCCC(NC(=O)COC1=C(Cl)C=CC=C1Cl)C1=NNN=N1	REAL000000000648	1	37	0.0	-13.77	347.27	5.42	-8.35
CCCC(NC(=O)COC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL000000000649	0	37	-1.0	-49.37	328.72	4.62	-44.75
CCCC(NC(=O)COC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL000000000649	1	37	-1.0	-49.37	328.67	4.61	-44.76
CCCC(NC(=O)COC1=CC=C(C#N)C=C1)C1=NNN=N1	REAL000000000649	1	38	0.0	-16.78	332.08	4.63	-12.15
CCCC(NC(=O)CSC1=C2C(C)=C(C)SC2=NC(C)=N1)C1=NN=N[N-]1	REAL000000000650	0	46	-1.0	-46.73	401.70	5.29	-41.44
CCCC(NC(=O)CSC1=C2C(C)=C(C)SC2=NC(C)=N1)C1=N[N-]N=N1	REAL000000000650	1	46	-1.0	-46.73	401.64	5.29	-41.44
CCCC(NC(=O)CSC1=C2C(C)=C(C)SC2=NC(C)=N1)C1=NNN=N1	REAL000000000650	1	47	0.0	-13.55	405.08	5.30	-8.25
CCCOC1=CC=C(C=CC(=O)NC(CCC)C2=NN=N[N-]2)C=C1OC	REAL000000000651	0	50	-1.0	-48.48	410.86	5.82	-42.67
CCCOC1=CC=C(C=CC(=O)NC(CCC)C2=N[N-]N=N2)C=C1OC	REAL000000000651	1	50	-1.0	-48.48	410.81	5.81	-42.67
CCCOC1=CC=C(C=CC(=O)NC(CCC)C2=NNN=N2)C=C1OC	REAL000000000651	1	51	0.0	-14.20	414.24	5.83	-8.38
CCCC(NC(=O)CCC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL000000000652	0	38	-1.0	-47.25	333.04	5.50	-41.75
CCCC(NC(=O)CCC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL000000000652	1	38	-1.0	-47.25	332.99	5.49	-41.76
CCCC(NC(=O)CCC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000000652	1	39	0.0	-9.92	336.42	5.51	-4.41
CCCC(NC(=O)CCC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL000000000653	0	38	-1.0	-45.53	341.67	5.73	-39.80
CCCC(NC(=O)CCC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL000000000653	1	38	-1.0	-45.53	341.61	5.74	-39.80
CCCC(NC(=O)CCC1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000000653	1	39	0.0	-10.54	345.05	5.74	-4.79
CCCC(NC(=O)CNC(=O)C1=CC=C(OC(F)F)C(OC)=C1)C1=NN=N[N-]1	REAL000000000654	0	47	-1.0	-47.46	401.69	1.65	-45.80
CCCC(NC(=O)CNC(=O)C1=CC=C(OC(F)F)C(OC)=C1)C1=N[N-]N=N1	REAL000000000654	1	47	-1.0	-47.45	401.63	1.65	-45.80
CCCC(NC(=O)CNC(=O)C1=CC=C(OC(F)F)C(OC)=C1)C1=NNN=N1	REAL000000000654	1	48	0.0	-15.25	405.07	1.66	-13.58
CCCC(NC(=O)C=CC1=CC(Cl)=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL000000000655	0	44	-1.0	-46.03	387.50	4.73	-41.30
CCCC(NC(=O)C=CC1=CC(Cl)=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL000000000655	1	44	-1.0	-46.03	387.44	4.72	-41.31
CCCC(NC(=O)C=CC1=CC(Cl)=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000000655	1	45	0.0	-12.85	390.88	4.74	-8.11
CCCC(NC(=O)C1=CC=C(C2SCCS2)C=C1)C1=NN=N[N-]1	REAL000000000656	0	41	-1.0	-47.63	361.20	6.62	-41.01
CCCC(NC(=O)C1=CC=C(C2SCCS2)C=C1)C1=N[N-]N=N1	REAL000000000656	1	41	-1.0	-47.64	361.14	6.62	-41.02
CCCC(NC(=O)C1=CC=C(C2SCCS2)C=C1)C1=NNN=N1	REAL000000000656	1	42	0.0	-8.74	357.34	6.39	-2.35
CCCC(NC(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL000000000657	0	41	-1.0	-60.71	359.37	1.84	-58.87
CCCC(NC(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL000000000657	1	41	-1.0	-60.71	359.32	1.84	-58.87
CCCC(NC(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C1=NNN=N1	REAL000000000657	1	42	0.0	-18.92	355.55	1.53	-17.39
CCCC(NC(=O)C1=CC=CC(N2C=NN=N2)=C1)C1=NN=N[N-]1	REAL000000000658	0	37	-1.0	-59.97	322.66	3.82	-56.15
CCCC(NC(=O)C1=CC=CC(N2C=NN=N2)=C1)C1=N[N-]N=N1	REAL000000000658	1	37	-1.0	-59.98	322.60	3.81	-56.16
CCCC(NC(=O)C1=CC=CC(N2C=NN=N2)=C1)C1=NNN=N1	REAL000000000658	1	38	0.0	-23.79	325.98	3.83	-19.96
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)C(=O)N2CC)C1=NN=N[N-]1	REAL000000000659	0	44	-1.0	-51.29	368.83	3.27	-48.02
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)C(=O)N2CC)C1=N[N-]N=N1	REAL000000000659	1	44	-1.0	-51.28	368.77	3.26	-48.02
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)C(=O)N2CC)C1=NNN=N1	REAL000000000659	1	45	0.0	-20.54	372.21	3.28	-17.26
CCCC(NC(=O)C=CC1=CC=C(OCC)C(OCC)=C1)C1=NN=N[N-]1	REAL000000000660	0	50	-1.0	-48.73	411.22	5.93	-42.80
CCCC(NC(=O)C=CC1=CC=C(OCC)C(OCC)=C1)C1=N[N-]N=N1	REAL000000000660	1	50	-1.0	-48.73	411.16	5.92	-42.81
CCCC(NC(=O)C=CC1=CC=C(OCC)C(OCC)=C1)C1=NNN=N1	REAL000000000660	1	51	0.0	-14.38	414.60	5.94	-8.44
CCCC(NC(=O)COC1=CC=C(C=O)C=C1OC)C1=NN=N[N-]1	REAL000000000661	0	42	-1.0	-57.98	360.29	3.72	-54.26
CCCC(NC(=O)COC1=CC=C(C=O)C=C1OC)C1=N[N-]N=N1	REAL000000000661	1	42	-1.0	-57.98	360.23	3.72	-54.26
CCCC(NC(=O)COC1=CC=C(C=O)C=C1OC)C1=NNN=N1	REAL000000000661	1	43	0.0	-23.23	363.67	3.74	-19.49
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)C)=C1)C1=NN=N[N-]1	REAL000000000662	0	49	-1.0	-51.75	407.48	3.10	-48.64
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)C)=C1)C1=N[N-]N=N1	REAL000000000662	1	49	-1.0	-51.75	407.42	3.09	-48.66
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)C)=C1)C1=NNN=N1	REAL000000000662	1	50	0.0	-14.19	403.67	2.78	-11.41
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NC(C)C)=C1)C1=NN=N[N-]1	REAL000000000663	0	46	-1.0	-52.56	391.18	1.33	-51.23
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NC(C)C)=C1)C1=N[N-]N=N1	REAL000000000663	1	46	-1.0	-52.57	391.12	1.32	-51.25
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NC(C)C)=C1)C1=NNN=N1	REAL000000000663	1	47	0.0	-18.89	394.58	1.34	-17.56
CCCC(NC(=O)CC1=CC=C(OCC2=C(C)ON=C2C)C=C1)C1=NN=N[N-]1	REAL000000000664	0	51	-1.0	-51.37	427.53	6.39	-44.98
CCCC(NC(=O)CC1=CC=C(OCC2=C(C)ON=C2C)C=C1)C1=N[N-]N=N1	REAL000000000664	1	51	-1.0	-51.37	427.47	6.38	-44.99
CCCC(NC(=O)CC1=CC=C(OCC2=C(C)ON=C2C)C=C1)C1=NNN=N1	REAL000000000664	1	52	0.0	-16.43	430.91	6.41	-10.03
CCCC(NC(=O)CSCC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000000665	0	39	-1.0	-47.57	360.14	6.20	-41.37
CCCC(NC(=O)CSCC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000000665	1	39	-1.0	-47.57	360.08	6.20	-41.37
CCCC(NC(=O)CSCC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000000665	1	40	0.0	-13.46	363.51	6.21	-7.25
CCCC(NC(=O)CSCC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000000666	0	39	-1.0	-47.57	360.13	6.20	-41.37
CCCC(NC(=O)CSCC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000000666	1	39	-1.0	-47.57	360.08	6.20	-41.36
CCCC(NC(=O)CSCC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000666	1	40	0.0	-13.45	363.51	6.21	-7.24
CCCC(NC(=O)C1=CC=C(CSC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000000667	0	46	-1.0	-47.59	395.94	8.54	-39.06
CCCC(NC(=O)C1=CC=C(CSC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000000667	1	46	-1.0	-47.59	395.88	8.54	-39.05
CCCC(NC(=O)C1=CC=C(CSC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000000667	1	47	0.0	-12.39	399.32	8.55	-3.84
CCCC(NC(=O)C1=CC=CC(CSC2=CC=C(C)C=C2C)=C1)C1=NN=N[N-]1	REAL000000000668	0	52	-1.0	-50.47	435.85	9.79	-40.68
CCCC(NC(=O)C1=CC=CC(CSC2=CC=C(C)C=C2C)=C1)C1=N[N-]N=N1	REAL000000000668	1	52	-1.0	-50.47	435.80	9.79	-40.68
CCCC(NC(=O)C1=CC=CC(CSC2=CC=C(C)C=C2C)=C1)C1=NNN=N1	REAL000000000668	1	53	0.0	-13.36	439.24	9.80	-3.56
CCCC(NC(=O)C=CC1=CC=C(OCC(C)C)C(OC)=C1)C1=NN=N[N-]1	REAL000000000669	0	53	-1.0	-48.41	430.97	6.49	-41.93
CCCC(NC(=O)C=CC1=CC=C(OCC(C)C)C(OC)=C1)C1=N[N-]N=N1	REAL000000000669	1	53	-1.0	-48.41	430.91	6.48	-41.93
CCCC(NC(=O)C=CC1=CC=C(OCC(C)C)C(OC)=C1)C1=NNN=N1	REAL000000000669	1	54	0.0	-14.06	434.34	6.49	-7.57
CCCC(NC(=O)CCC(=O)C1=C(C)SC(C)=C1)C1=NN=N[N-]1	REAL000000000670	0	43	-1.0	-44.59	370.82	5.54	-39.05
CCCC(NC(=O)CCC(=O)C1=C(C)SC(C)=C1)C1=N[N-]N=N1	REAL000000000670	1	43	-1.0	-44.58	370.77	5.54	-39.05
CCCC(NC(=O)CCC(=O)C1=C(C)SC(C)=C1)C1=NNN=N1	REAL000000000670	1	44	0.0	-10.42	375.39	5.57	-4.84
CCCC(NC(=O)CCCN1C(=O)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000000671	0	44	-1.0	-59.11	374.97	5.43	-53.68
CCCC(NC(=O)CCCN1C(=O)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000000671	1	44	-1.0	-59.11	374.91	5.43	-53.68
CCCC(NC(=O)CCCN1C(=O)OC2=CC=CC=C21)C1=NNN=N1	REAL000000000671	1	45	0.0	-17.88	371.16	5.12	-12.77
CCCC(NC(=O)CN1C(=O)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000000672	0	38	-1.0	-50.61	332.44	4.23	-46.38
CCCC(NC(=O)CN1C(=O)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000000672	1	38	-1.0	-50.61	332.38	4.22	-46.39
CCCC(NC(=O)CN1C(=O)OC2=CC=CC=C21)C1=NNN=N1	REAL000000000672	1	39	0.0	-18.84	335.82	4.24	-14.60
CCCC(NC(=O)C1=CC=C(NC2CC2)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000000673	0	43	-1.0	-51.23	362.84	4.98	-46.25
CCCC(NC(=O)C1=CC=C(NC2CC2)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000000673	1	43	-1.0	-51.24	362.78	4.97	-46.27
CCCC(NC(=O)C1=CC=C(NC2CC2)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000673	1	44	0.0	-17.76	366.22	4.99	-12.77
CCCC(NC(=O)C1=CC=C(SCCC(C)C)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000000674	0	50	-1.0	-50.42	419.94	8.14	-42.28
CCCC(NC(=O)C1=CC=C(SCCC(C)C)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000000674	1	50	-1.0	-50.42	419.89	8.13	-42.28
CCCC(NC(=O)C1=CC=C(SCCC(C)C)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000674	1	51	0.0	-18.07	423.32	8.15	-9.91
CCCC(NC(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL000000000675	0	45	-1.0	-55.75	386.72	4.70	-51.05
CCCC(NC(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL000000000675	1	45	-1.0	-55.76	386.66	4.70	-51.06
CCCC(NC(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000000675	1	46	0.0	-18.74	390.09	4.71	-14.02
CCCC(NC(=O)CNC(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000000676	0	45	-1.0	-48.32	388.71	2.91	-45.40
CCCC(NC(=O)CNC(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000000676	1	45	-1.0	-48.31	388.66	2.92	-45.40
CCCC(NC(=O)CNC(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000676	1	46	0.0	-17.99	384.90	2.60	-15.39
CCCC(NC(=O)CNC(=O)C1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000000677	0	39	-1.0	-42.88	354.61	2.76	-40.11
CCCC(NC(=O)CNC(=O)C1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000000677	1	39	-1.0	-42.87	354.55	2.75	-40.12
CCCC(NC(=O)CNC(=O)C1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000000677	1	40	0.0	-11.24	357.99	2.77	-8.47
CCCC(NC(=O)CNC(=O)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000000678	0	39	-1.0	-43.90	350.06	2.66	-41.24
CCCC(NC(=O)CNC(=O)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000000678	1	39	-1.0	-43.90	350.00	2.66	-41.24
CCCC(NC(=O)CNC(=O)C1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000000678	1	40	0.0	-12.55	353.43	2.67	-9.88
CCCC(NC(=O)C1=CC=C(C)C(S(=O)(=O)N(CC)CC)=C1)C1=NN=N[N-]1	REAL000000000679	0	52	-1.0	-55.40	419.01	3.86	-51.54
CCCC(NC(=O)C1=CC=C(C)C(S(=O)(=O)N(CC)CC)=C1)C1=N[N-]N=N1	REAL000000000679	1	52	-1.0	-55.40	418.95	3.85	-51.55
CCCC(NC(=O)C1=CC=C(C)C(S(=O)(=O)N(CC)CC)=C1)C1=NNN=N1	REAL000000000679	1	53	0.0	-19.23	416.78	3.66	-15.57
CCCC(NC(=O)C(C)SC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000000680	0	39	-1.0	-45.07	352.85	5.75	-39.32
CCCC(NC(=O)C(C)SC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000000680	1	39	-1.0	-45.07	352.80	5.75	-39.32
CCCC(NC(=O)C(C)SC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000680	1	40	0.0	-8.23	349.00	5.45	-2.78
CCCC(NC(=O)CN1C(=O)NC2(CCCC2)C1=O)C1=NN=N[N-]1	REAL000000000681	0	44	-1.0	-53.56	364.27	1.51	-52.06
CCCC(NC(=O)CN1C(=O)NC2(CCCC2)C1=O)C1=N[N-]N=N1	REAL000000000681	1	44	-1.0	-53.57	364.21	1.50	-52.06
CCCC(NC(=O)CN1C(=O)NC2(CCCC2)C1=O)C1=NNN=N1	REAL000000000681	1	45	0.0	-12.79	361.29	1.11	-11.68
CCCC(NC(=O)CSC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000000682	0	36	-1.0	-45.40	323.90	4.86	-40.54
CCCC(NC(=O)CSC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000000682	1	36	-1.0	-45.40	323.84	4.85	-40.55
CCCC(NC(=O)CSC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000000682	1	37	0.0	-12.54	327.28	4.87	-7.67
CCCC(NC(=O)C1COC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL000000000683	0	38	-1.0	-47.84	322.06	3.74	-44.11
CCCC(NC(=O)C1COC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL000000000683	1	38	-1.0	-47.83	322.00	3.74	-44.09
CCCC(NC(=O)C1COC2=CC=CC=C2O1)C1=NNN=N1	REAL000000000683	1	39	0.0	-14.60	325.41	3.75	-10.84
CCCC(NC(=O)CNC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000000684	0	41	-1.0	-46.60	361.52	2.81	-43.79
CCCC(NC(=O)CNC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000000684	1	41	-1.0	-46.60	361.46	2.81	-43.78
CCCC(NC(=O)CNC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000684	1	42	0.0	-17.17	364.90	2.83	-14.34
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C1=NN=N[N-]1	REAL000000000685	0	43	-1.0	-48.27	369.80	1.65	-46.62
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C1=N[N-]N=N1	REAL000000000685	1	43	-1.0	-48.27	369.75	1.64	-46.62
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C1=NNN=N1	REAL000000000685	1	44	0.0	-12.67	366.08	1.35	-11.32
CCCC(NC(=O)COC1=CC=CC=C1OCC)C1=NN=N[N-]1	REAL000000000686	0	43	-1.0	-54.09	359.00	4.91	-49.18
CCCC(NC(=O)COC1=CC=CC=C1OCC)C1=N[N-]N=N1	REAL000000000686	1	43	-1.0	-54.08	358.94	4.90	-49.18
CCCC(NC(=O)COC1=CC=CC=C1OCC)C1=NNN=N1	REAL000000000686	1	44	0.0	-17.71	362.37	4.92	-12.79
CCCC(NC(=O)COC1=CC=C(CC)C=C1)C1=NN=N[N-]1	REAL000000000687	0	42	-1.0	-48.88	350.79	5.65	-43.23
CCCC(NC(=O)COC1=CC=C(CC)C=C1)C1=N[N-]N=N1	REAL000000000687	1	42	-1.0	-48.89	350.73	5.65	-43.23
CCCC(NC(=O)COC1=CC=C(CC)C=C1)C1=NNN=N1	REAL000000000687	1	43	0.0	-13.90	354.16	5.66	-8.24
CCCC(NC(=O)COC1=CC=C(Cl)C(C)=C1)C1=NN=N[N-]1	REAL000000000688	0	39	-1.0	-47.62	343.34	5.32	-42.30
CCCC(NC(=O)COC1=CC=C(Cl)C(C)=C1)C1=N[N-]N=N1	REAL000000000688	1	39	-1.0	-47.61	343.29	5.32	-42.30
CCCC(NC(=O)COC1=CC=C(Cl)C(C)=C1)C1=NNN=N1	REAL000000000688	1	40	0.0	-13.83	346.72	5.34	-8.49
CCCC(NC(=O)COC1=CC=CC=C1C#N)C1=NN=N[N-]1	REAL000000000689	0	37	-1.0	-57.88	328.09	4.63	-53.25
CCCC(NC(=O)COC1=CC=CC=C1C#N)C1=N[N-]N=N1	REAL000000000689	1	37	-1.0	-57.88	328.03	4.62	-53.25
CCCC(NC(=O)COC1=CC=CC=C1C#N)C1=NNN=N1	REAL000000000689	1	38	0.0	-21.80	331.46	4.64	-17.16
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)C2=CC=CO2)=C1)C1=NN=N[N-]1	REAL000000000690	0	46	-1.0	-61.64	388.39	4.52	-57.13
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)C2=CC=CO2)=C1)C1=N[N-]N=N1	REAL000000000690	1	46	-1.0	-61.65	388.33	4.51	-57.14
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)C2=CC=CO2)=C1)C1=NNN=N1	REAL000000000690	1	47	0.0	-17.04	385.28	4.26	-12.78
CCCC(NC(=O)CC12CC3CC(CC(Br)(C3)C1)C2)C1=NN=N[N-]1	REAL000000000691	0	49	-1.0	-47.99	374.41	6.78	-41.20
CCCC(NC(=O)CC12CC3CC(CC(Br)(C3)C1)C2)C1=N[N-]N=N1	REAL000000000691	1	49	-1.0	-47.98	374.36	6.79	-41.19
CCCC(NC(=O)CC12CC3CC(CC(Br)(C3)C1)C2)C1=NNN=N1	REAL000000000691	1	50	0.0	-10.01	377.79	6.79	-3.21
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NC)=C1)C1=NN=N[N-]1	REAL000000000692	0	40	-1.0	-52.89	350.93	-0.17	-53.05
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NC)=C1)C1=N[N-]N=N1	REAL000000000692	1	40	-1.0	-52.89	350.88	-0.17	-53.06
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NC)=C1)C1=NNN=N1	REAL000000000692	1	41	0.0	-19.27	354.32	-0.16	-19.42
CCCC(NC(=O)CCNS(=O)(=O)C1=CC(C)=CC=C1C)C1=NN=N[N-]1	REAL000000000693	0	49	-1.0	-50.21	411.28	2.25	-47.96
CCCC(NC(=O)CCNS(=O)(=O)C1=CC(C)=CC=C1C)C1=N[N-]N=N1	REAL000000000693	1	49	-1.0	-50.20	411.23	2.24	-47.96
CCCC(NC(=O)CCNS(=O)(=O)C1=CC(C)=CC=C1C)C1=NNN=N1	REAL000000000693	1	50	0.0	-18.71	414.66	2.25	-16.46
CCCC(NC(=O)COC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000000694	0	36	-1.0	-49.39	324.63	4.73	-44.66
CCCC(NC(=O)COC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000000694	1	36	-1.0	-49.39	324.57	4.72	-44.67
CCCC(NC(=O)COC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000000694	1	37	0.0	-15.16	328.01	4.74	-10.42
C=CCC1=CC=C(OCC(=O)NC(CCC)C2=NN=N[N-]2)C(OC)=C1	REAL000000000695	0	47	-1.0	-53.39	392.84	5.97	-47.43
C=CCC1=CC=C(OCC(=O)NC(CCC)C2=N[N-]N=N2)C(OC)=C1	REAL000000000695	1	47	-1.0	-53.39	392.78	5.96	-47.43
C=CCC1=CC=C(OCC(=O)NC(CCC)C2=NNN=N2)C(OC)=C1	REAL000000000695	1	48	0.0	-17.28	396.22	5.98	-11.30
CCCC(NC(=O)C=CC1=CC(Cl)=C(OC(C)C)C(OC)=C1)C1=NN=N[N-]1	REAL000000000696	0	50	-1.0	-46.01	422.71	6.18	-39.83
CCCC(NC(=O)C=CC1=CC(Cl)=C(OC(C)C)C(OC)=C1)C1=N[N-]N=N1	REAL000000000696	1	50	-1.0	-46.00	422.65	6.18	-39.82
CCCC(NC(=O)C=CC1=CC(Cl)=C(OC(C)C)C(OC)=C1)C1=NNN=N1	REAL000000000696	1	51	0.0	-12.75	426.18	6.19	-6.56
CCCC(NC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(C)C)=C1)C1=NN=N[N-]1	REAL000000000697	0	50	-1.0	-56.35	418.56	1.13	-55.22
CCCC(NC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(C)C)=C1)C1=N[N-]N=N1	REAL000000000697	1	50	-1.0	-56.35	418.50	1.13	-55.23
CCCC(NC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(C)C)=C1)C1=NNN=N1	REAL000000000697	1	51	0.0	-16.53	414.69	0.79	-15.74
CCCC(NC(=O)C1=CC(S(=O)(=O)N(CC)CC)=CC=C1C)C1=NN=N[N-]1	REAL000000000698	0	52	-1.0	-50.02	427.14	4.07	-45.95
CCCC(NC(=O)C1=CC(S(=O)(=O)N(CC)CC)=CC=C1C)C1=N[N-]N=N1	REAL000000000698	1	52	-1.0	-50.02	427.08	4.07	-45.95
CCCC(NC(=O)C1=CC(S(=O)(=O)N(CC)CC)=CC=C1C)C1=NNN=N1	REAL000000000698	1	53	0.0	-12.75	430.52	4.08	-8.67
CCCC(NC(=O)CSC(C)C1=NC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL000000000699	0	45	-1.0	-56.33	387.91	4.83	-51.50
CCCC(NC(=O)CSC(C)C1=NC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL000000000699	1	45	-1.0	-56.33	387.85	4.83	-51.50
CCCC(NC(=O)CSC(C)C1=NC2=CC=CC=C2N1)C1=NNN=N1	REAL000000000699	1	46	0.0	-19.95	391.29	4.84	-15.10
CCCC(NC(=O)C=CC1=CN(CCC#N)C2=CC=CC=C12)C1=NN=N[N-]1	REAL000000000700	0	47	-1.0	-56.45	406.58	8.03	-48.42
CCCC(NC(=O)C=CC1=CN(CCC#N)C2=CC=CC=C12)C1=N[N-]N=N1	REAL000000000700	1	47	-1.0	-56.46	406.52	8.03	-48.43
CCCC(NC(=O)C=CC1=CN(CCC#N)C2=CC=CC=C12)C1=NNN=N1	REAL000000000700	1	48	0.0	-20.29	409.94	8.04	-12.25
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C1=NN=N[N-]1	REAL000000000701	0	48	-1.0	-51.17	415.59	1.07	-50.10
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C1=N[N-]N=N1	REAL000000000701	1	48	-1.0	-51.17	415.53	1.07	-50.10
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C1=NNN=N1	REAL000000000701	1	49	0.0	-19.91	418.97	1.08	-18.84
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C1=NN=N[N-]1	REAL000000000702	0	38	-1.0	-51.34	347.54	1.70	-49.64
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C1=N[N-]N=N1	REAL000000000702	1	38	-1.0	-51.33	347.49	1.70	-49.63
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C1=NNN=N1	REAL000000000702	1	39	0.0	-18.57	350.92	1.71	-16.86
CCCC(NC(=O)C=CC1=CC(OC)=C(OC)C=C1OC)C1=NN=N[N-]1	REAL000000000703	0	48	-1.0	-51.76	395.16	3.44	-48.32
CCCC(NC(=O)C=CC1=CC(OC)=C(OC)C=C1OC)C1=N[N-]N=N1	REAL000000000703	1	48	-1.0	-51.76	395.10	3.44	-48.32
CCCC(NC(=O)C=CC1=CC(OC)=C(OC)C=C1OC)C1=NNN=N1	REAL000000000703	1	49	0.0	-15.84	398.53	3.45	-12.39
CCCC(NC(=O)C1=CC(S(=O)(=O)NCC)=CC=C1C)C1=NN=N[N-]1	REAL000000000704	0	46	-1.0	-50.18	388.04	1.36	-48.83
CCCC(NC(=O)C1=CC(S(=O)(=O)NCC)=CC=C1C)C1=N[N-]N=N1	REAL000000000704	1	46	-1.0	-50.17	387.98	1.36	-48.81
CCCC(NC(=O)C1=CC(S(=O)(=O)NCC)=CC=C1C)C1=NNN=N1	REAL000000000704	1	47	0.0	-13.21	391.42	1.37	-11.84
CCCC(NC(=O)C1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1)C1=NN=N[N-]1	REAL000000000705	0	49	-1.0	-60.31	398.71	6.79	-53.52
CCCC(NC(=O)C1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1)C1=N[N-]N=N1	REAL000000000705	1	49	-1.0	-60.31	398.65	6.79	-53.52
CCCC(NC(=O)C1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1)C1=NNN=N1	REAL000000000705	1	50	0.0	-18.49	402.09	6.80	-11.69
CCCC(NC(=O)CSC1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL000000000706	0	38	-1.0	-46.84	352.69	4.44	-42.40
CCCC(NC(=O)CSC1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL000000000706	1	38	-1.0	-46.84	352.63	4.43	-42.40
CCCC(NC(=O)CSC1=NC2=CC=CC=C2S1)C1=NNN=N1	REAL000000000706	1	39	0.0	-12.48	356.07	4.45	-8.02
CCCC(NC(=O)C1CCN(C(=O)NC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL000000000707	0	51	-1.0	-55.81	405.03	5.36	-50.45
CCCC(NC(=O)C1CCN(C(=O)NC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL000000000707	1	51	-1.0	-55.80	404.98	5.35	-50.45
CCCC(NC(=O)C1CCN(C(=O)NC2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000000707	1	52	0.0	-17.07	408.41	5.37	-11.70
CCCC(NC(=O)CC1=COC2=CC(C)=C(C(C)C)C=C12)C1=NN=N[N-]1	REAL000000000708	0	50	-1.0	-49.45	404.41	7.17	-42.28
CCCC(NC(=O)CC1=COC2=CC(C)=C(C(C)C)C=C12)C1=N[N-]N=N1	REAL000000000708	1	50	-1.0	-49.44	404.35	7.16	-42.29
CCCC(NC(=O)CC1=COC2=CC(C)=C(C(C)C)C=C12)C1=NNN=N1	REAL000000000708	1	51	0.0	-11.83	400.61	6.84	-4.99
CCCC(NC(=O)CC1=COC2=CC(C)=CC=C12)C1=NN=N[N-]1	REAL000000000709	0	41	-1.0	-49.33	348.27	5.36	-43.97
CCCC(NC(=O)CC1=COC2=CC(C)=CC=C12)C1=N[N-]N=N1	REAL000000000709	1	41	-1.0	-49.33	348.21	5.35	-43.98
CCCC(NC(=O)CC1=COC2=CC(C)=CC=C12)C1=NNN=N1	REAL000000000709	1	42	0.0	-12.11	344.46	5.04	-7.07
CCCC(NC(=O)CC1=COC2=CC(CC)=CC=C12)C1=NN=N[N-]1	REAL000000000710	0	44	-1.0	-48.97	369.75	6.12	-42.85
CCCC(NC(=O)CC1=COC2=CC(CC)=CC=C12)C1=N[N-]N=N1	REAL000000000710	1	44	-1.0	-48.97	369.70	6.12	-42.85
CCCC(NC(=O)CC1=COC2=CC(CC)=CC=C12)C1=NNN=N1	REAL000000000710	1	45	0.0	-14.68	373.13	6.13	-8.55
CCCC(NC(=O)CC1=COC2=C1C1=CC=CC=C1C=C2)C1=NN=N[N-]1	REAL000000000711	0	44	-1.0	-51.39	368.28	6.76	-44.63
CCCC(NC(=O)CC1=COC2=C1C1=CC=CC=C1C=C2)C1=N[N-]N=N1	REAL000000000711	1	44	-1.0	-51.39	368.22	6.76	-44.63
CCCC(NC(=O)CC1=COC2=C1C1=CC=CC=C1C=C2)C1=NNN=N1	REAL000000000711	1	45	0.0	-16.48	371.67	6.77	-9.71
CCCC(NC(=O)CC1=COC2=CC3=C(C=C12)CCC3)C1=NN=N[N-]1	REAL000000000712	0	45	-1.0	-49.91	372.44	6.61	-43.30
CCCC(NC(=O)CC1=COC2=CC3=C(C=C12)CCC3)C1=N[N-]N=N1	REAL000000000712	1	45	-1.0	-49.91	372.38	6.60	-43.32
CCCC(NC(=O)CC1=COC2=CC3=C(C=C12)CCC3)C1=NNN=N1	REAL000000000712	1	46	0.0	-15.30	375.82	6.61	-8.68
CCCC(NC(=O)COC1=CC=C(Cl)C=C1Br)C1=NN=N[N-]1	REAL000000000713	0	36	-1.0	-49.12	345.04	5.37	-43.74
CCCC(NC(=O)COC1=CC=C(Cl)C=C1Br)C1=N[N-]N=N1	REAL000000000713	1	36	-1.0	-49.12	344.99	5.37	-43.75
CCCC(NC(=O)COC1=CC=C(Cl)C=C1Br)C1=NNN=N1	REAL000000000713	1	37	0.0	-15.37	348.42	5.39	-9.98
CCCC(NC(=O)COC1=CC=C(F)C=C1Br)C1=NN=N[N-]1	REAL000000000714	0	36	-1.0	-49.44	334.72	4.93	-44.51
CCCC(NC(=O)COC1=CC=C(F)C=C1Br)C1=N[N-]N=N1	REAL000000000714	1	36	-1.0	-49.44	334.66	4.92	-44.52
CCCC(NC(=O)COC1=CC=C(F)C=C1Br)C1=NNN=N1	REAL000000000714	1	37	0.0	-12.41	330.87	4.51	-7.91
CCCC(NC(=O)COC1=CC=CC(C(C)=O)=C1)C1=NN=N[N-]1	REAL000000000715	0	41	-1.0	-58.51	350.67	4.71	-53.80
CCCC(NC(=O)COC1=CC=CC(C(C)=O)=C1)C1=N[N-]N=N1	REAL000000000715	1	41	-1.0	-58.52	350.61	4.70	-53.82
CCCC(NC(=O)COC1=CC=CC(C(C)=O)=C1)C1=NNN=N1	REAL000000000715	1	42	0.0	-22.50	354.04	4.72	-17.78
CCCC(NC(=O)CSC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000000716	0	36	-1.0	-45.02	338.79	5.41	-39.60
CCCC(NC(=O)CSC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000000716	1	36	-1.0	-45.02	338.73	5.40	-39.62
CCCC(NC(=O)CSC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000000716	1	37	0.0	-11.99	342.17	5.42	-6.57
CCCC(NC(=O)COC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL000000000717	0	38	-1.0	-49.05	336.10	4.89	-44.17
CCCC(NC(=O)COC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL000000000717	1	38	-1.0	-49.05	336.04	4.89	-44.16
CCCC(NC(=O)COC1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000000717	1	39	0.0	-17.70	339.47	4.89	-12.80
CCCC(NC(=O)CNC(=O)C1=CC=CC=C1OC(F)F)C1=NN=N[N-]1	REAL000000000718	0	43	-1.0	-47.67	370.40	2.98	-44.69
CCCC(NC(=O)CNC(=O)C1=CC=CC=C1OC(F)F)C1=N[N-]N=N1	REAL000000000718	1	43	-1.0	-47.67	370.35	2.98	-44.69
CCCC(NC(=O)CNC(=O)C1=CC=CC=C1OC(F)F)C1=NNN=N1	REAL000000000718	1	44	0.0	-15.49	373.78	2.99	-12.50
CCCC(NC(=O)C(C)NC(=O)NC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000000719	0	44	-1.0	-44.42	367.65	2.24	-42.18
CCCC(NC(=O)C(C)NC(=O)NC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000000719	1	44	-1.0	-44.41	367.59	2.23	-42.18
CCCC(NC(=O)C(C)NC(=O)NC1=CC=CC=C1)C1=NNN=N1	REAL000000000719	1	45	0.0	-12.62	370.74	2.27	-10.35
CCCC(NC(=O)CC1=COC2=C(C)C(C)=CC=C12)C1=NN=N[N-]1	REAL000000000720	0	44	-1.0	-49.95	365.22	5.90	-44.05
CCCC(NC(=O)CC1=COC2=C(C)C(C)=CC=C12)C1=N[N-]N=N1	REAL000000000720	1	44	-1.0	-49.95	365.16	5.89	-44.06
CCCC(NC(=O)CC1=COC2=C(C)C(C)=CC=C12)C1=NNN=N1	REAL000000000720	1	45	0.0	-12.36	362.12	5.61	-6.75
CCCC(NC(=O)C1=CC=C(COC2=CC=C3C=CC=CC3=C2)O1)C1=NN=N[N-]1	REAL000000000721	0	49	-1.0	-50.16	416.38	7.33	-42.83
CCCC(NC(=O)C1=CC=C(COC2=CC=C3C=CC=CC3=C2)O1)C1=N[N-]N=N1	REAL000000000721	1	49	-1.0	-50.16	416.32	7.32	-42.84
CCCC(NC(=O)C1=CC=C(COC2=CC=C3C=CC=CC3=C2)O1)C1=NNN=N1	REAL000000000721	1	50	0.0	-13.75	419.76	7.34	-6.41
CCCC(NC(=O)C=CC1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL000000000722	0	42	-1.0	-49.10	353.36	4.00	-45.10
CCCC(NC(=O)C=CC1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL000000000722	1	42	-1.0	-49.10	353.31	4.00	-45.10
CCCC(NC(=O)C=CC1=CC=C2OCCOC2=C1)C1=NNN=N1	REAL000000000722	1	43	0.0	-10.99	349.54	3.68	-7.31
CCCC(NC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000000723	0	44	-1.0	-66.10	385.17	0.62	-65.47
CCCC(NC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000000723	1	44	-1.0	-66.09	385.11	0.62	-65.47
CCCC(NC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000000723	1	45	0.0	-31.37	388.55	0.64	-30.73
CCCC(NC(=O)C=CC1=CC=C(OCC)C(OC)=C1)C1=NN=N[N-]1	REAL000000000724	0	47	-1.0	-48.83	389.37	5.01	-43.82
CCCC(NC(=O)C=CC1=CC=C(OCC)C(OC)=C1)C1=N[N-]N=N1	REAL000000000724	1	47	-1.0	-48.83	389.31	5.00	-43.83
CCCC(NC(=O)C=CC1=CC=C(OCC)C(OC)=C1)C1=NNN=N1	REAL000000000724	1	48	0.0	-11.50	385.50	4.69	-6.81
CCCC(NC(=O)C1=CC(Cl)=C(OCC)C(OC)=C1)C1=NN=N[N-]1	REAL000000000725	0	43	-1.0	-43.26	374.81	4.49	-38.77
CCCC(NC(=O)C1=CC(Cl)=C(OCC)C(OC)=C1)C1=N[N-]N=N1	REAL000000000725	1	43	-1.0	-43.26	374.76	4.49	-38.77
CCCC(NC(=O)C1=CC(Cl)=C(OCC)C(OC)=C1)C1=NNN=N1	REAL000000000725	1	44	0.0	-8.16	371.00	4.17	-3.99
CCCC(NC(=O)C=CC1=CC(Cl)=C(OC)C(OCC)=C1)C1=NN=N[N-]1	REAL000000000726	0	47	-1.0	-45.78	409.36	5.65	-40.13
CCCC(NC(=O)C=CC1=CC(Cl)=C(OC)C(OCC)=C1)C1=N[N-]N=N1	REAL000000000726	1	47	-1.0	-45.78	409.30	5.64	-40.14
CCCC(NC(=O)C=CC1=CC(Cl)=C(OC)C(OCC)=C1)C1=NNN=N1	REAL000000000726	1	48	0.0	-10.02	405.53	5.33	-4.69
CCCC(NC(=O)C1=CC=C(SC)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000000727	0	38	-1.0	-51.45	337.91	5.18	-46.27
CCCC(NC(=O)C1=CC=C(SC)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000000727	1	38	-1.0	-51.44	337.86	5.17	-46.28
CCCC(NC(=O)C1=CC=C(SC)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000727	1	39	0.0	-18.75	341.29	5.19	-13.56
CCCC(NC(=O)C1=CN=C2C=CC(C)=CN2C1=O)C1=NN=N[N-]1	REAL000000000728	0	40	-1.0	-57.36	338.10	4.47	-52.89
CCCC(NC(=O)CNC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000000729	0	50	-1.0	-44.81	421.95	4.99	-39.82
CCCC(NC(=O)CNC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000000729	1	50	-1.0	-44.81	421.89	4.99	-39.81
CCCC(NC(=O)CNC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000000729	1	51	0.0	-10.90	418.13	4.68	-6.22
CCCC(NC(=O)CNC(=O)C1=CC=C(C)S1)C1=NN=N[N-]1	REAL000000000730	0	39	-1.0	-44.92	347.27	1.93	-42.99
CCCC(NC(=O)CNC(=O)C1=CC=C(C)S1)C1=N[N-]N=N1	REAL000000000730	1	39	-1.0	-44.92	347.21	1.93	-42.99
CCCC(NC(=O)CNC(=O)C1=CC=C(C)S1)C1=NNN=N1	REAL000000000730	1	40	0.0	-12.07	350.65	1.94	-10.14
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2F)O1)C1=NN=N[N-]1	REAL000000000731	0	39	-1.0	-50.00	346.53	5.52	-44.49
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2F)O1)C1=N[N-]N=N1	REAL000000000731	1	39	-1.0	-50.00	346.48	5.51	-44.49
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2F)O1)C1=NNN=N1	REAL000000000731	1	40	0.0	-10.36	342.71	5.20	-5.16
CCCC(NC(=O)CN1C(=O)NC(C)(C)C1=O)C1=NN=N[N-]1	REAL000000000732	0	40	-1.0	-54.27	341.27	0.25	-54.02
CCCC(NC(=O)CN1C(=O)NC(C)(C)C1=O)C1=N[N-]N=N1	REAL000000000732	1	40	-1.0	-54.27	341.22	0.24	-54.03
CCCC(NC(=O)CN1C(=O)NC(C)(C)C1=O)C1=NNN=N1	REAL000000000732	1	41	0.0	-17.04	344.65	0.26	-16.78
CCCC(NC(=O)CCCOC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000000733	0	46	-1.0	-49.67	379.84	4.03	-45.64
CCCC(NC(=O)CCCOC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000000733	1	46	-1.0	-49.67	379.79	4.02	-45.64
CCCC(NC(=O)CCCOC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000000733	1	47	0.0	-11.83	376.05	3.70	-8.12
CCCC(NC(=O)CCCOC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000000734	0	54	-1.0	-48.50	426.51	7.07	-41.43
CCCC(NC(=O)CCCOC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000000734	1	54	-1.0	-48.49	426.46	7.07	-41.43
CCCC(NC(=O)CCCOC1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000000734	1	55	0.0	-13.38	429.89	7.08	-6.30
CCCC(NC(=O)CCCOC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000000735	0	45	-1.0	-48.99	371.75	5.41	-43.58
CCCC(NC(=O)CCCOC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000000735	1	45	-1.0	-48.98	371.69	5.41	-43.58
CCCC(NC(=O)CCCOC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000000735	1	46	0.0	-13.84	375.13	5.42	-8.43
CCCC(NC(=O)CCCOC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL000000000736	0	45	-1.0	-49.22	371.75	5.41	-43.82
CCCC(NC(=O)CCCOC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL000000000736	1	45	-1.0	-49.22	371.69	5.41	-43.81
CCCC(NC(=O)CCCOC1=CC=CC(C)=C1)C1=NNN=N1	REAL000000000736	1	46	0.0	-10.83	367.94	5.09	-5.74
CCCC(NC(=O)C(C)NC(=O)C1=CC=CO1)C1=NN=N[N-]1	REAL000000000737	0	39	-1.0	-47.67	337.11	0.99	-46.69
CCCC(NC(=O)C(C)NC(=O)C1=CC=CO1)C1=N[N-]N=N1	REAL000000000737	1	39	-1.0	-47.67	337.06	0.99	-46.68
CCCC(NC(=O)C(C)NC(=O)C1=CC=CO1)C1=NNN=N1	REAL000000000737	1	40	0.0	-12.71	340.49	1.00	-11.72
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(=O)CC1)C1=NN=N[N-]1	REAL000000000738	0	43	-1.0	-44.73	363.65	4.30	-40.43
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(=O)CC1)C1=N[N-]N=N1	REAL000000000738	1	43	-1.0	-44.73	363.60	4.30	-40.43
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(=O)CC1)C1=NNN=N1	REAL000000000738	1	44	0.0	-10.96	359.86	3.98	-6.98
CCCCCCN1N=C(C(=O)NC(CCC)C2=NN=N[N-]2)C2=CC=CC=C2C1=O	REAL000000000739	0	55	-1.0	-44.39	446.18	7.13	-37.26
CCCCCCN1N=C(C(=O)NC(CCC)C2=N[N-]N=N2)C2=CC=CC=C2C1=O	REAL000000000739	1	55	-1.0	-44.40	446.12	7.12	-37.28
CCCCCCN1N=C(C(=O)NC(CCC)C2=NNN=N2)C2=CC=CC=C2C1=O	REAL000000000739	1	56	0.0	-11.34	449.56	7.14	-4.20
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)N(CC)CC)=C1)C1=NN=N[N-]1	REAL000000000740	0	49	-1.0	-52.22	411.06	3.39	-48.83
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)N(CC)CC)=C1)C1=N[N-]N=N1	REAL000000000740	1	49	-1.0	-52.21	411.01	3.39	-48.83
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)N(CC)CC)=C1)C1=NNN=N1	REAL000000000740	1	50	0.0	-18.26	414.48	3.40	-14.87
CCCC(NC(=O)COC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL000000000741	0	36	-1.0	-49.34	329.19	4.83	-44.51
CCCC(NC(=O)COC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL000000000741	1	36	-1.0	-49.35	329.14	4.83	-44.52
CCCC(NC(=O)COC1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000000741	1	37	0.0	-15.13	332.57	4.84	-10.29
CCCC(NC(=O)CC12CC3CC(CC(C3)C1)C2)C1=NN=N[N-]1	REAL000000000742	0	49	-1.0	-45.89	353.92	6.22	-39.67
CCCC(NC(=O)CC12CC3CC(CC(C3)C1)C2)C1=N[N-]N=N1	REAL000000000742	1	49	-1.0	-45.89	353.86	6.22	-39.67
CCCC(NC(=O)CC12CC3CC(CC(C3)C1)C2)C1=NNN=N1	REAL000000000742	1	50	0.0	-8.58	357.29	6.23	-2.35
CCCC(NC(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O)C1=NN=N[N-]1	REAL000000000743	0	44	-1.0	-53.05	359.85	3.85	-49.20
CCCC(NC(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O)C1=N[N-]N=N1	REAL000000000743	1	44	-1.0	-53.05	359.80	3.85	-49.20
CCCC(NC(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O)C1=NNN=N1	REAL000000000743	1	45	0.0	-16.03	363.26	3.87	-12.16
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C1=NN=N[N-]1	REAL000000000744	0	48	-1.0	-53.58	417.90	1.17	-52.41
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C1=N[N-]N=N1	REAL000000000744	1	48	-1.0	-53.57	417.84	1.16	-52.42
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C1=NNN=N1	REAL000000000744	1	49	0.0	-22.63	419.77	1.11	-21.52
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=C(OCC)C=C1)C1=NN=N[N-]1	REAL000000000745	0	50	-1.0	-49.73	426.46	0.91	-48.82
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=C(OCC)C=C1)C1=N[N-]N=N1	REAL000000000745	1	50	-1.0	-49.72	426.41	0.91	-48.80
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=C(OCC)C=C1)C1=NNN=N1	REAL000000000745	1	51	0.0	-17.88	429.85	0.92	-16.96
CCCC(NC(=O)C1=CC=C(NCC2=CC=CC=C2)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000000746	0	49	-1.0	-52.35	413.45	7.13	-45.22
CCCC(NC(=O)C1=CC=C(NCC2=CC=CC=C2)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000000746	1	49	-1.0	-52.34	413.39	7.12	-45.22
CCCC(NC(=O)C1=CC=C(NCC2=CC=CC=C2)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000746	1	50	0.0	-18.40	419.33	7.17	-11.23
CCCC(NC(=O)COC1=CC=CC(CC)=C1)C1=NN=N[N-]1	REAL000000000747	0	42	-1.0	-49.41	350.79	5.65	-43.76
CCCC(NC(=O)COC1=CC=CC(CC)=C1)C1=N[N-]N=N1	REAL000000000747	1	42	-1.0	-49.41	350.73	5.65	-43.75
CCCC(NC(=O)COC1=CC=CC(CC)=C1)C1=NNN=N1	REAL000000000747	1	43	0.0	-14.21	354.16	5.66	-8.56
CCCC(NC(=O)C1CCN(C(=O)C2=CC=C(Cl)C=C2)CC1)C1=NN=N[N-]1	REAL000000000748	0	49	-1.0	-53.01	408.33	5.99	-47.02
CCCC(NC(=O)C1CCN(C(=O)C2=CC=C(Cl)C=C2)CC1)C1=N[N-]N=N1	REAL000000000748	1	49	-1.0	-53.00	408.28	5.99	-47.01
CCCC(NC(=O)C1CCN(C(=O)C2=CC=C(Cl)C=C2)CC1)C1=NNN=N1	REAL000000000748	1	50	0.0	-17.69	411.71	6.00	-11.69
CCCC(NC(=O)CC1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL000000000749	0	41	-1.0	-51.25	343.49	3.48	-47.78
CCCC(NC(=O)CC1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL000000000749	1	41	-1.0	-51.24	343.43	3.47	-47.78
CCCC(NC(=O)CC1=CC=C2OCCOC2=C1)C1=NNN=N1	REAL000000000749	1	42	0.0	-15.62	346.87	3.49	-12.14
CCCC(NC(=O)C=CC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000000750	0	50	-1.0	-48.03	420.07	8.13	-39.90
CCCC(NC(=O)C=CC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000000750	1	50	-1.0	-48.02	420.01	8.12	-39.90
CCCC(NC(=O)C=CC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000000750	1	51	0.0	-10.06	416.24	7.81	-2.25
CCCC(NC(=O)CNS(=O)(=O)C1=CC(C)=CC=C1C)C1=NN=N[N-]1	REAL000000000751	0	46	-1.0	-51.11	389.20	1.62	-49.49
CCCC(NC(=O)CNS(=O)(=O)C1=CC(C)=CC=C1C)C1=N[N-]N=N1	REAL000000000751	1	46	-1.0	-51.11	389.14	1.61	-49.50
CCCC(NC(=O)CNS(=O)(=O)C1=CC(C)=CC=C1C)C1=NNN=N1	REAL000000000751	1	47	0.0	-15.53	392.61	1.63	-13.90
CCCC(NC(=O)COC1=C(C)C=C(C)C=C1C)C1=NN=N[N-]1	REAL000000000752	0	45	-1.0	-48.67	371.10	6.35	-42.32
CCCC(NC(=O)COC1=C(C)C=C(C)C=C1C)C1=N[N-]N=N1	REAL000000000752	1	45	-1.0	-48.66	371.05	6.35	-42.31
CCCC(NC(=O)COC1=C(C)C=C(C)C=C1C)C1=NNN=N1	REAL000000000752	1	46	0.0	-12.80	374.48	6.36	-6.44
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000000753	0	40	-1.0	-49.80	369.80	0.55	-49.26
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000000753	1	40	-1.0	-49.80	369.74	0.55	-49.25
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000753	1	41	0.0	-15.88	373.18	0.56	-15.32
CCCC(NC(=O)CNC(=O)C1=CC=CC=C1OC)C1=NN=N[N-]1	REAL000000000754	0	43	-1.0	-48.44	360.65	2.72	-45.72
CCCC(NC(=O)CNC(=O)C1=CC=CC=C1OC)C1=N[N-]N=N1	REAL000000000754	1	43	-1.0	-48.43	360.59	2.71	-45.72
CCCC(NC(=O)CNC(=O)C1=CC=CC=C1OC)C1=NNN=N1	REAL000000000754	1	44	0.0	-15.25	364.03	2.73	-12.51
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000000755	0	40	-1.0	-51.73	353.07	0.04	-51.70
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000000755	1	40	-1.0	-51.72	353.01	0.04	-51.68
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000000755	1	41	0.0	-16.62	356.44	0.05	-16.58
CCCC(NC(=O)CNC(=O)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000000756	0	42	-1.0	-45.06	357.94	2.81	-42.25
CCCC(NC(=O)CNC(=O)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000000756	1	42	-1.0	-45.05	357.88	2.81	-42.24
CCCC(NC(=O)CNC(=O)CC1=CC=CC=C1)C1=NNN=N1	REAL000000000756	1	43	0.0	-11.00	354.15	2.49	-8.51
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(NC(C)=O)C=C1)C1=NN=N[N-]1	REAL000000000757	0	47	-1.0	-58.37	409.42	-1.06	-59.43
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(NC(C)=O)C=C1)C1=N[N-]N=N1	REAL000000000757	1	47	-1.0	-58.37	409.36	-1.07	-59.44
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(NC(C)=O)C=C1)C1=NNN=N1	REAL000000000757	1	48	0.0	-21.22	405.64	-1.38	-22.59
CCCC(NC(=O)CCNC(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000000758	0	42	-1.0	-53.51	372.18	3.29	-50.22
CCCC(NC(=O)CCNC(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000000758	1	42	-1.0	-53.51	372.12	3.29	-50.22
CCCC(NC(=O)CCNC(=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000758	1	43	0.0	-19.38	375.55	3.30	-16.08
CCCC(NC(=O)CCNS(=O)(=O)C=CC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000000759	0	47	-1.0	-50.86	407.03	1.86	-49.00
CCCC(NC(=O)CCNS(=O)(=O)C=CC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000000759	1	47	-1.0	-50.86	406.98	1.85	-49.01
CCCC(NC(=O)CCNS(=O)(=O)C=CC1=CC=CC=C1)C1=NNN=N1	REAL000000000759	1	48	0.0	-18.40	410.41	1.87	-16.53
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000000760	0	43	-1.0	-47.17	388.08	1.21	-45.96
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000000760	1	43	-1.0	-47.17	388.03	1.20	-45.97
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000760	1	44	0.0	-14.98	391.45	1.22	-13.76
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000000761	0	47	-1.0	-49.46	400.84	0.00	-49.45
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000000761	1	47	-1.0	-49.46	400.78	0.00	-49.46
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000000761	1	48	0.0	-13.70	397.03	-0.32	-14.02
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000000762	0	46	-1.0	-47.27	392.77	1.36	-45.91
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000000762	1	46	-1.0	-47.27	392.72	1.36	-45.91
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000000762	1	47	0.0	-15.87	396.15	1.37	-14.50
CCCC(NC(=O)C1CC(=O)N(CC2=CC=C(C)C=C2)C1)C1=NN=N[N-]1	REAL000000000763	0	49	-1.0	-50.01	404.66	5.88	-44.13
CCCC(NC(=O)C1CC(=O)N(CC2=CC=C(C)C=C2)C1)C1=N[N-]N=N1	REAL000000000763	1	49	-1.0	-50.00	404.61	5.89	-44.12
CCCC(NC(=O)C1CC(=O)N(CC2=CC=C(C)C=C2)C1)C1=NNN=N1	REAL000000000763	1	50	0.0	-14.90	408.04	5.89	-9.01
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(OCC)C=C2)C1)C1=NN=N[N-]1	REAL000000000764	0	50	-1.0	-48.87	404.50	4.82	-44.05
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(OCC)C=C2)C1)C1=N[N-]N=N1	REAL000000000764	1	50	-1.0	-48.86	404.44	4.82	-44.04
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(OCC)C=C2)C1)C1=NNN=N1	REAL000000000764	1	51	0.0	-13.34	401.19	4.51	-8.83
CCCC(NC(=O)C1=CC=C(OCC2CCCO2)C=C1)C1=NN=N[N-]1	REAL000000000765	0	47	-1.0	-48.20	382.58	4.30	-43.91
CCCC(NC(=O)C1=CC=C(OCC2CCCO2)C=C1)C1=N[N-]N=N1	REAL000000000765	1	47	-1.0	-48.20	382.52	4.29	-43.92
CCCC(NC(=O)C1=CC=C(OCC2CCCO2)C=C1)C1=NNN=N1	REAL000000000765	1	48	0.0	-14.10	385.96	4.30	-9.80
CCCC(NC(=O)C=CC1=CC=C(C(=O)OC)C=C1)C1=NN=N[N-]1	REAL000000000766	0	42	-1.0	-48.06	363.63	5.49	-42.57
CCCC(NC(=O)C=CC1=CC=C(C(=O)OC)C=C1)C1=N[N-]N=N1	REAL000000000766	1	42	-1.0	-48.05	363.58	5.48	-42.57
CCCC(NC(=O)C=CC1=CC=C(C(=O)OC)C=C1)C1=NNN=N1	REAL000000000766	1	43	0.0	-14.60	367.01	5.50	-9.10
CCCC(NC(=O)COC1=CC=C(C(C)C)C(C)=C1)C1=NN=N[N-]1	REAL000000000767	0	48	-1.0	-49.16	385.53	6.70	-42.47
CCCC(NC(=O)COC1=CC=C(C(C)C)C(C)=C1)C1=N[N-]N=N1	REAL000000000767	1	48	-1.0	-49.17	385.47	6.69	-42.48
CCCC(NC(=O)COC1=CC=C(C(C)C)C(C)=C1)C1=NNN=N1	REAL000000000767	1	49	0.0	-13.98	388.90	6.71	-7.27
CCCC(NC(=O)COC1=C2C=CC=CC2=CC=C1)C1=NN=N[N-]1	REAL000000000768	0	42	-1.0	-51.71	352.93	6.49	-45.22
CCCC(NC(=O)COC1=C2C=CC=CC2=CC=C1)C1=N[N-]N=N1	REAL000000000768	1	42	-1.0	-51.71	352.88	6.49	-45.23
CCCC(NC(=O)COC1=C2C=CC=CC2=CC=C1)C1=NNN=N1	REAL000000000768	1	43	0.0	-15.81	356.31	6.51	-9.30
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C2=CC=C(C)O2)=C1)C1=NN=N[N-]1	REAL000000000769	0	47	-1.0	-48.26	394.76	6.63	-41.63
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C2=CC=C(C)O2)=C1)C1=N[N-]N=N1	REAL000000000769	1	47	-1.0	-48.26	394.70	6.63	-41.63
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C2=CC=C(C)O2)=C1)C1=NNN=N1	REAL000000000769	1	48	0.0	-12.97	398.13	6.64	-6.33
CCCC(NC(=O)C1=CC=CC(NS(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000000770	0	40	-1.0	-61.76	351.60	0.26	-61.50
CCCC(NC(=O)C1=CC=CC(NS(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000000770	1	40	-1.0	-61.76	351.54	0.26	-61.50
CCCC(NC(=O)C1=CC=CC(NS(C)(=O)=O)=C1)C1=NNN=N1	REAL000000000770	1	41	0.0	-17.06	355.00	0.28	-16.79
CCCC(NC(=O)CCC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000000771	0	40	-1.0	-45.10	340.61	4.96	-40.14
CCCC(NC(=O)CCC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000000771	1	40	-1.0	-45.10	340.55	4.96	-40.14
CCCC(NC(=O)CCC(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000000771	1	41	0.0	-11.23	343.99	4.97	-6.26
CCCC(NC(=O)CN1C(=O)C2=CC=CC([N+](=O)[O-])=C2C1=O)C1=NN=N[N-]1	REAL000000000772	0	41	-1.0	-65.02	367.35	5.07	-59.94
CCCC(NC(=O)CN1C(=O)C2=CC=CC([N+](=O)[O-])=C2C1=O)C1=N[N-]N=N1	REAL000000000772	1	41	-1.0	-65.01	367.30	5.08	-59.94
CCCC(NC(=O)CN1C(=O)C2=CC=CC([N+](=O)[O-])=C2C1=O)C1=NNN=N1	REAL000000000772	1	42	0.0	-24.70	370.71	5.09	-19.61
CCCC(NC(=O)CCN1C(=O)C2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL000000000773	0	42	-1.0	-52.39	365.21	3.89	-48.50
CCCC(NC(=O)CCN1C(=O)C2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL000000000773	1	42	-1.0	-52.39	365.16	3.89	-48.50
CCCC(NC(=O)CCN1C(=O)C2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000000773	1	43	0.0	-15.59	368.59	3.90	-11.69
CCCC(NC(=O)C1=CC=C(OCCC(C)C)C=C1)C1=NN=N[N-]1	REAL000000000774	0	48	-1.0	-46.14	386.18	6.02	-40.12
CCCC(NC(=O)C1=CC=C(OCCC(C)C)C=C1)C1=N[N-]N=N1	REAL000000000774	1	48	-1.0	-46.14	386.12	6.01	-40.13
CCCC(NC(=O)C1=CC=C(OCCC(C)C)C=C1)C1=NNN=N1	REAL000000000774	1	49	0.0	-7.85	382.36	5.70	-2.15
CCCCCCOC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000000775	0	51	-1.0	-46.16	411.61	7.06	-39.10
CCCCCCOC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000000775	1	51	-1.0	-46.14	411.55	7.05	-39.09
CCCCCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000000775	1	52	0.0	-11.23	414.98	7.07	-4.16
CCCC(NC(=O)C1=CC=C(OC(C)C)C=C1)C1=NN=N[N-]1	REAL000000000776	0	42	-1.0	-46.29	343.51	4.53	-41.76
CCCC(NC(=O)C1=CC=C(OC(C)C)C=C1)C1=N[N-]N=N1	REAL000000000776	1	42	-1.0	-46.29	343.45	4.52	-41.77
CCCC(NC(=O)C1=CC=C(OC(C)C)C=C1)C1=NNN=N1	REAL000000000776	1	43	0.0	-10.90	346.89	4.54	-6.36
CCCC(NC(=O)C1=CC=C(OCC(C)C)C(OC)=C1)C1=NN=N[N-]1	REAL000000000777	0	49	-1.0	-47.84	396.42	5.30	-42.54
CCCC(NC(=O)C1=CC=C(OCC(C)C)C(OC)=C1)C1=N[N-]N=N1	REAL000000000777	1	49	-1.0	-47.84	396.37	5.30	-42.54
CCCC(NC(=O)C1=CC=C(OCC(C)C)C(OC)=C1)C1=NNN=N1	REAL000000000777	1	50	0.0	-10.03	392.60	4.98	-5.06
CCCC(NC(=O)C1=CC=C(C(=O)C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000000778	0	44	-1.0	-49.05	370.97	6.89	-42.16
CCCC(NC(=O)C1=CC=C(C(=O)C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000000778	1	44	-1.0	-49.05	370.91	6.88	-42.17
CCCC(NC(=O)C1=CC=C(C(=O)C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000000778	1	45	0.0	-15.26	374.35	6.90	-8.37
CCCC(NC(=O)C1=CC=C(Br)S1)C1=NN=N[N-]1	REAL000000000779	0	29	-1.0	-42.38	288.13	3.36	-39.02
CCCC(NC(=O)C1=CC=C(Br)S1)C1=N[N-]N=N1	REAL000000000779	1	29	-1.0	-42.38	288.08	3.36	-39.01
CCCC(NC(=O)C1=CC=C(Br)S1)C1=NNN=N1	REAL000000000779	1	30	0.0	-8.46	291.51	3.37	-5.09
CCCC(NC(=O)C1=CC=C(N2C(=O)CCC2=O)C=C1)C1=NN=N[N-]1	REAL000000000780	0	42	-1.0	-55.40	360.91	4.24	-51.17
CCCC(NC(=O)C1=CC=C(N2C(=O)CCC2=O)C=C1)C1=N[N-]N=N1	REAL000000000780	1	42	-1.0	-55.40	360.85	4.24	-51.16
CCCC(NC(=O)C1=CC=C(N2C(=O)CCC2=O)C=C1)C1=NNN=N1	REAL000000000780	1	43	0.0	-19.34	364.29	4.24	-15.09
CCCC(NC(=O)C1=CC=CC(N2C(=O)CCC2=O)=C1)C1=NN=N[N-]1	REAL000000000781	0	42	-1.0	-58.98	361.02	4.23	-54.75
CCCC(NC(=O)C1=CC=CC(N2C(=O)CCC2=O)=C1)C1=N[N-]N=N1	REAL000000000781	1	42	-1.0	-58.98	360.96	4.23	-54.75
CCCC(NC(=O)C1=CC=CC(N2C(=O)CCC2=O)=C1)C1=NNN=N1	REAL000000000781	1	43	0.0	-22.12	364.40	4.24	-17.87
CCCC(NC(=O)C1CC(=O)N(CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000000782	0	46	-1.0	-49.78	383.25	5.22	-44.55
CCCC(NC(=O)C1CC(=O)N(CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000000782	1	46	-1.0	-49.77	383.19	5.21	-44.56
CCCC(NC(=O)C1CC(=O)N(CC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000000782	1	47	0.0	-16.02	386.64	5.23	-10.79
CCCC(NC(=O)CCCOC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL000000000783	0	42	-1.0	-49.12	371.64	5.35	-43.77
CCCC(NC(=O)CCCOC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL000000000783	1	42	-1.0	-49.12	371.58	5.34	-43.78
CCCC(NC(=O)CCCOC1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000000783	1	43	0.0	-14.47	375.02	5.36	-9.11
CCCC(NC(=O)CSC1=C2C(C)=C(C)SC2=NC=N1)C1=NN=N[N-]1	REAL000000000784	0	43	-1.0	-46.22	379.87	5.32	-40.89
CCCC(NC(=O)CSC1=C2C(C)=C(C)SC2=NC=N1)C1=N[N-]N=N1	REAL000000000784	1	43	-1.0	-46.21	379.81	5.33	-40.89
CCCC(NC(=O)CSC1=C2C(C)=C(C)SC2=NC=N1)C1=NNN=N1	REAL000000000784	1	44	0.0	-13.03	383.25	5.33	-7.70
CCCC(NC(=O)CCC(=O)C1=CC(C)=CC=C1C)C1=NN=N[N-]1	REAL000000000785	0	46	-1.0	-44.87	377.92	6.31	-38.55
CCCC(NC(=O)CCC(=O)C1=CC(C)=CC=C1C)C1=N[N-]N=N1	REAL000000000785	1	46	-1.0	-44.87	377.87	6.32	-38.56
CCCC(NC(=O)CCC(=O)C1=CC(C)=CC=C1C)C1=NNN=N1	REAL000000000785	1	47	0.0	-10.61	381.30	6.33	-4.29
CCCC(NC(=O)C1=CC=C(OC(F)F)C(OC)=C1)C1=NN=N[N-]1	REAL000000000786	0	40	-1.0	-47.74	342.72	3.16	-44.57
CCCC(NC(=O)C1=CC=C(OC(F)F)C(OC)=C1)C1=N[N-]N=N1	REAL000000000786	1	40	-1.0	-47.73	342.66	3.16	-44.57
CCCC(NC(=O)C1=CC=C(OC(F)F)C(OC)=C1)C1=NNN=N1	REAL000000000786	1	41	0.0	-13.51	346.10	3.17	-10.34
CCCC(NC(=O)C1=CC=CC(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000000787	0	37	-1.0	-52.78	328.56	-1.39	-54.17
CCCC(NC(=O)C1=CC=CC(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000000787	1	37	-1.0	-52.77	328.50	-1.39	-54.16
CCCC(NC(=O)C1=CC=CC(S(N)(=O)=O)=C1)C1=NNN=N1	REAL000000000787	1	38	0.0	-16.00	324.70	-1.71	-17.71
CCCC(NC(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000000788	0	46	-1.0	-47.81	385.52	6.94	-40.87
CCCC(NC(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000000788	1	46	-1.0	-47.81	385.46	6.94	-40.87
CCCC(NC(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000000788	1	47	0.0	-12.75	388.90	6.95	-5.80
CCCCCOC1=CC=C(C(=O)CCC(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000000789	0	56	-1.0	-44.59	456.25	7.60	-37.00
CCCCCOC1=CC=C(C(=O)CCC(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000000789	1	56	-1.0	-44.59	456.19	7.59	-37.00
CCCCCOC1=CC=C(C(=O)CCC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000000789	1	57	0.0	-11.53	459.63	7.59	-3.94
CCCC(NC(=O)CCC1=NC2=CC=CC=C2C(=O)N1)C1=NN=N[N-]1	REAL000000000790	0	43	-1.0	-48.02	364.95	3.61	-44.40
CCCC(NC(=O)CCC1=NC2=CC=CC=C2C(=O)N1)C1=N[N-]N=N1	REAL000000000790	1	43	-1.0	-48.01	364.89	3.61	-44.40
CCCC(NC(=O)CCC1=NC2=CC=CC=C2C(=O)N1)C1=NNN=N1	REAL000000000790	1	44	0.0	-13.09	361.13	3.30	-9.79
CCCC1=CC=C(C(=O)CCC(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000000791	0	49	-1.0	-44.60	404.98	7.17	-37.43
CCCC1=CC=C(C(=O)CCC(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000000791	1	49	-1.0	-44.58	404.93	7.17	-37.41
CCCC1=CC=C(C(=O)CCC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000000791	1	50	0.0	-8.79	401.20	6.86	-1.93
CCCC(NC(=O)C=CC1=CC=CC=C1OC(F)F)C1=NN=N[N-]1	REAL000000000792	0	40	-1.0	-50.15	347.00	4.49	-45.66
CCCC(NC(=O)C=CC1=CC=CC=C1OC(F)F)C1=N[N-]N=N1	REAL000000000792	1	40	-1.0	-50.15	346.95	4.48	-45.67
CCCC(NC(=O)C=CC1=CC=CC=C1OC(F)F)C1=NNN=N1	REAL000000000792	1	41	0.0	-14.76	350.38	4.50	-10.26
CCCC(NC(=O)C1=CC(Br)=CC=C1Cl)C1=NN=N[N-]1	REAL000000000793	0	32	-1.0	-44.59	308.17	4.78	-39.80
CCCC(NC(=O)C1=CC(Br)=CC=C1Cl)C1=N[N-]N=N1	REAL000000000793	1	32	-1.0	-44.59	308.11	4.78	-39.81
CCCC(NC(=O)C1=CC(Br)=CC=C1Cl)C1=NNN=N1	REAL000000000793	1	33	0.0	-9.68	311.55	4.80	-4.88
CCCC(NC(=O)CC1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL000000000794	0	35	-1.0	-43.05	329.94	5.25	-37.79
CCCC(NC(=O)CC1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL000000000794	1	35	-1.0	-43.05	329.89	5.26	-37.79
CCCC(NC(=O)CC1=CC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000000794	1	36	0.0	-10.50	333.32	5.26	-5.23
CCCC(NC(=O)CN1C(=O)C2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL000000000795	0	39	-1.0	-56.19	344.19	3.49	-52.69
CCCC(NC(=O)CN1C(=O)C2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL000000000795	1	39	-1.0	-56.18	344.14	3.50	-52.68
CCCC(NC(=O)CN1C(=O)C2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000000795	1	40	0.0	-18.31	347.56	3.50	-14.81
CCCC(NC(=O)CCC(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000000796	0	40	-1.0	-43.70	346.99	5.02	-38.68
CCCC(NC(=O)CCC(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000000796	1	40	-1.0	-43.70	346.94	5.03	-38.67
CCCC(NC(=O)CCC(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000000796	1	41	0.0	-9.04	343.20	4.71	-4.33
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2)=C1)C1=NN=N[N-]1	REAL000000000797	0	48	-1.0	-54.07	402.02	1.26	-52.81
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2)=C1)C1=N[N-]N=N1	REAL000000000797	1	48	-1.0	-54.07	401.96	1.25	-52.82
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2)=C1)C1=NNN=N1	REAL000000000797	1	49	0.0	-18.31	405.40	1.27	-17.04
CCCC(NC(=O)C1=CC=CC=C1I)C1=NN=N[N-]1	REAL000000000798	0	32	-1.0	-46.19	296.10	4.73	-41.46
CCCC(NC(=O)C1=CC=CC=C1I)C1=N[N-]N=N1	REAL000000000798	1	32	-1.0	-46.19	296.04	4.73	-41.46
CCCC(NC(=O)C1=CC=CC=C1I)C1=NNN=N1	REAL000000000798	1	33	0.0	-10.77	299.47	4.74	-6.03
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1)C1=NN=N[N-]1	REAL000000000799	0	50	-1.0	-52.17	411.44	3.66	-48.50
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1)C1=N[N-]N=N1	REAL000000000799	1	50	-1.0	-52.17	411.38	3.66	-48.51
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1)C1=NNN=N1	REAL000000000799	1	51	0.0	-13.92	407.61	3.34	-10.58
CCCC(NC(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000000800	0	43	-1.0	-49.33	364.75	6.56	-42.77
CCCC(NC(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000000800	1	43	-1.0	-49.33	364.69	6.56	-42.77
CCCC(NC(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000000800	1	44	0.0	-14.35	368.14	6.57	-7.78
CCCC(NC(=O)CCC(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL000000000801	0	37	-1.0	-45.08	331.48	4.05	-41.03
CCCC(NC(=O)CCC(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL000000000801	1	37	-1.0	-45.07	331.43	4.05	-41.02
CCCC(NC(=O)CCC(=O)C1=CC=CS1)C1=NNN=N1	REAL000000000801	1	38	0.0	-10.93	334.86	4.06	-6.87
CCCC(NC(=O)C1=CC=C(N)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000000802	0	36	-1.0	-51.97	312.81	2.41	-49.56
CCCC(NC(=O)C1=CC=C(N)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000000802	1	36	-1.0	-51.97	312.75	2.40	-49.57
CCCC(NC(=O)C1=CC=C(N)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000802	1	37	0.0	-17.63	318.22	2.40	-15.23
CCCC(NC(=O)C1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000000803	0	44	-1.0	-46.39	350.46	5.99	-40.40
CCCC(NC(=O)C1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000000803	1	44	-1.0	-46.39	350.41	5.98	-40.42
CCCC(NC(=O)C1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000000803	1	45	0.0	-10.31	353.84	5.99	-4.32
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000000804	0	43	-1.0	-45.62	362.98	6.50	-39.11
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000000804	1	43	-1.0	-45.62	362.93	6.50	-39.12
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000000804	1	44	0.0	-11.61	366.36	6.51	-5.10
CCCC(NC(=O)C1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000000805	0	35	-1.0	-47.29	313.06	4.65	-42.65
CCCC(NC(=O)C1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000000805	1	35	-1.0	-47.29	313.01	4.64	-42.65
CCCC(NC(=O)C1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000000805	1	36	0.0	-12.91	316.43	4.66	-8.25
CCCC(NC(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000000806	0	34	-1.0	-47.51	317.79	5.49	-42.02
CCCC(NC(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000000806	1	34	-1.0	-47.51	317.73	5.49	-42.02
CCCC(NC(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C1=NNN=N1	REAL000000000806	1	35	0.0	-18.39	318.77	5.84	-12.54
CCCC(NC(=O)C1=CC(OCC)=C(OCC)C(OCC)=C1)C1=NN=N[N-]1	REAL000000000807	0	53	-1.0	-46.38	431.70	5.62	-40.76
CCCC(NC(=O)C1=CC(OCC)=C(OCC)C(OCC)=C1)C1=N[N-]N=N1	REAL000000000807	1	53	-1.0	-46.38	431.65	5.63	-40.75
CCCC(NC(=O)C1=CC(OCC)=C(OCC)C(OCC)=C1)C1=NNN=N1	REAL000000000807	1	54	0.0	-13.32	435.08	5.63	-7.68
CCCC(NC(=O)C1=CC=C(I)C=C1)C1=NN=N[N-]1	REAL000000000808	0	32	-1.0	-43.65	302.12	4.74	-38.91
CCCC(NC(=O)C1=CC=C(I)C=C1)C1=N[N-]N=N1	REAL000000000808	1	32	-1.0	-43.64	302.07	4.73	-38.91
CCCC(NC(=O)C1=CC=C(I)C=C1)C1=NNN=N1	REAL000000000808	1	33	0.0	-9.70	305.51	4.75	-4.95
CCCC(NC(=O)C=CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL000000000809	0	38	-1.0	-46.77	337.06	5.51	-41.26
CCCC(NC(=O)C=CC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL000000000809	1	38	-1.0	-46.77	337.01	5.50	-41.27
CCCC(NC(=O)C=CC1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000000809	1	39	0.0	-14.98	340.44	5.52	-9.45
CCCC(NC(=O)CCCOC1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL000000000810	0	42	-1.0	-49.41	383.11	5.81	-43.60
CCCC(NC(=O)CCCOC1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL000000000810	1	42	-1.0	-49.40	383.05	5.80	-43.60
CCCC(NC(=O)CCCOC1=CC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000000810	1	43	0.0	-14.87	386.48	5.81	-9.06
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL000000000811	0	39	-1.0	-49.83	357.30	5.89	-43.94
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL000000000811	1	39	-1.0	-49.83	357.24	5.88	-43.94
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000000811	1	40	0.0	-14.88	360.68	5.90	-8.97
CCCC(NC(=O)C1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL000000000812	0	32	-1.0	-44.84	303.60	4.68	-40.16
CCCC(NC(=O)C1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL000000000812	1	32	-1.0	-44.84	303.54	4.68	-40.16
CCCC(NC(=O)C1=CC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000000812	1	33	0.0	-10.95	306.98	4.69	-6.27
CCCC(NC(=O)CC1=CC=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL000000000813	0	43	-1.0	-49.39	357.73	3.56	-45.83
CCCC(NC(=O)CC1=CC=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL000000000813	1	43	-1.0	-49.40	357.67	3.54	-45.85
CCCC(NC(=O)CC1=CC=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000000813	1	44	0.0	-15.78	361.11	3.56	-12.21
CCCC(NC(=O)C1=CC=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL000000000814	0	40	-1.0	-48.45	332.97	2.90	-45.55
CCCC(NC(=O)C1=CC=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL000000000814	1	40	-1.0	-48.45	332.91	2.90	-45.55
CCCC(NC(=O)C1=CC=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000000814	1	41	0.0	-14.06	336.35	2.91	-11.14
CCCC(NC(=O)C1=CC(SC)=CC=C1Cl)C1=NN=N[N-]1	REAL000000000815	0	36	-1.0	-47.20	327.03	5.18	-42.03
CCCC(NC(=O)C1=CC(SC)=CC=C1Cl)C1=N[N-]N=N1	REAL000000000815	1	36	-1.0	-47.20	326.98	5.18	-42.02
CCCC(NC(=O)C1=CC(SC)=CC=C1Cl)C1=NNN=N1	REAL000000000815	1	37	0.0	-10.83	330.41	5.19	-5.64
CCCC(NC(=O)CC1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL000000000816	0	35	-1.0	-45.96	327.08	5.17	-40.79
CCCC(NC(=O)CC1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL000000000816	1	35	-1.0	-45.95	327.02	5.16	-40.79
CCCC(NC(=O)CC1=C(Cl)C=CC=C1Cl)C1=NNN=N1	REAL000000000816	1	36	0.0	-10.39	330.46	5.18	-5.21
CCCC(NC(=O)CC1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000000817	0	38	-1.0	-44.88	337.71	5.31	-39.56
CCCC(NC(=O)CC1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000000817	1	38	-1.0	-44.88	337.65	5.31	-39.57
CCCC(NC(=O)CC1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000000817	1	39	0.0	-13.00	341.09	5.32	-7.68
CCCC(NC(=O)CCC1=CC(OC)=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL000000000818	0	50	-1.0	-47.80	412.29	4.29	-43.51
CCCC(NC(=O)CCC1=CC(OC)=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL000000000818	1	50	-1.0	-47.79	412.23	4.28	-43.52
CCCC(NC(=O)CCC1=CC(OC)=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000000818	1	51	0.0	-15.07	415.66	4.30	-10.77
CCCC(NC(=O)C1=CC(C(=O)OC)=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000000819	0	40	-1.0	-44.98	357.28	4.97	-40.02
CCCC(NC(=O)C1=CC(C(=O)OC)=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000000819	1	40	-1.0	-44.98	357.22	4.97	-40.01
CCCC(NC(=O)C1=CC(C(=O)OC)=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000819	1	41	0.0	-12.79	360.66	4.98	-7.81
CCCC(NC(=O)COC1=CC=C(Cl)C=C1C)C1=NN=N[N-]1	REAL000000000820	0	39	-1.0	-47.27	344.70	5.45	-41.82
CCCC(NC(=O)COC1=CC=C(Cl)C=C1C)C1=N[N-]N=N1	REAL000000000820	1	39	-1.0	-47.26	344.64	5.44	-41.82
CCCC(NC(=O)COC1=CC=C(Cl)C=C1C)C1=NNN=N1	REAL000000000820	1	40	0.0	-13.53	348.07	5.46	-8.07
CCCC(NC(=O)C=CC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000000821	0	36	-1.0	-46.24	325.62	5.36	-40.88
CCCC(NC(=O)C=CC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000000821	1	36	-1.0	-46.23	325.57	5.35	-40.88
CCCC(NC(=O)C=CC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000000821	1	37	0.0	-11.58	329.00	5.37	-6.21
CCCC(NC(=O)C=CC1=CC=C(OC)C=C1OC)C1=NN=N[N-]1	REAL000000000822	0	44	-1.0	-50.93	365.98	3.52	-47.41
CCCC(NC(=O)C=CC1=CC=C(OC)C=C1OC)C1=N[N-]N=N1	REAL000000000822	1	44	-1.0	-50.93	365.93	3.51	-47.42
CCCC(NC(=O)C=CC1=CC=C(OC)C=C1OC)C1=NNN=N1	REAL000000000822	1	45	0.0	-14.49	369.36	3.53	-10.96
CCCC(NC(=O)C=CC1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL000000000823	0	40	-1.0	-48.30	338.37	4.14	-44.16
CCCC(NC(=O)C=CC1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL000000000823	1	40	-1.0	-48.30	338.31	4.14	-44.16
CCCC(NC(=O)C=CC1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000000823	1	41	0.0	-9.65	334.50	3.83	-5.82
CCCC(NC(=O)C=CC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000000824	0	38	-1.0	-56.42	331.89	5.33	-51.09
CCCC(NC(=O)C=CC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000000824	1	38	-1.0	-56.42	331.83	5.32	-51.09
CCCC(NC(=O)C=CC1=CC=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000000824	1	39	0.0	-20.33	337.96	5.44	-14.89
CCCC(NC(=O)C=CC1=CC(OC)=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL000000000825	0	48	-1.0	-48.65	400.69	4.03	-44.63
CCCC(NC(=O)C=CC1=CC(OC)=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL000000000825	1	48	-1.0	-48.65	400.63	4.03	-44.62
CCCC(NC(=O)C=CC1=CC(OC)=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000000825	1	49	0.0	-12.66	396.82	3.70	-8.96
CCCC(NC(=O)C1=CC=C(OCC2=NOC(C)=N2)C=C1)C1=NN=N[N-]1	REAL000000000826	0	44	-1.0	-51.90	377.10	2.46	-49.44
CCCC(NC(=O)C1=CC=C(OCC2=NOC(C)=N2)C=C1)C1=N[N-]N=N1	REAL000000000826	1	44	-1.0	-51.90	377.04	2.46	-49.44
CCCC(NC(=O)C1=CC=C(OCC2=NOC(C)=N2)C=C1)C1=NNN=N1	REAL000000000826	1	45	0.0	-16.87	380.48	2.47	-14.40
CCCC(NC(=O)C1=CC=CC(OC(F)F)=C1)C1=NN=N[N-]1	REAL000000000827	0	36	-1.0	-48.59	313.58	3.22	-45.36
CCCC(NC(=O)C1=CC=CC(OC(F)F)=C1)C1=N[N-]N=N1	REAL000000000827	1	36	-1.0	-48.59	313.53	3.21	-45.37
CCCC(NC(=O)C1=CC=CC(OC(F)F)=C1)C1=NNN=N1	REAL000000000827	1	37	0.0	-13.63	316.96	3.23	-10.39
CCCC(NC(=O)CSC1=CC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL000000000828	0	36	-1.0	-46.00	349.24	5.76	-40.24
CCCC(NC(=O)CSC1=CC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL000000000828	1	36	-1.0	-46.00	349.19	5.76	-40.24
CCCC(NC(=O)CSC1=CC(Cl)=CC=C1Cl)C1=NNN=N1	REAL000000000828	1	37	0.0	-12.13	352.62	5.77	-6.36
CCCC(NC(=O)CSC1=C2C(Cl)=CC=CC2=CC=C1)C1=NN=N[N-]1	REAL000000000829	0	42	-1.0	-51.18	371.34	7.24	-43.94
CCCC(NC(=O)CSC1=C2C(Cl)=CC=CC2=CC=C1)C1=N[N-]N=N1	REAL000000000829	1	42	-1.0	-51.18	371.28	7.24	-43.94
CCCC(NC(=O)CSC1=C2C(Cl)=CC=CC2=CC=C1)C1=NNN=N1	REAL000000000829	1	43	0.0	-11.52	367.53	6.93	-4.60
CCCC(NC(=O)CC1=CC=C(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000000830	0	45	-1.0	-48.45	373.19	7.75	-40.70
CCCC(NC(=O)CC1=CC=C(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000000830	1	45	-1.0	-48.45	373.14	7.75	-40.71
CCCC(NC(=O)CC1=CC=C(C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000000830	1	46	0.0	-13.25	376.57	7.76	-5.48
CCCC(NC(=O)C1=CC=CC(I)=C1)C1=NN=N[N-]1	REAL000000000831	0	32	-1.0	-46.29	302.13	4.74	-41.55
CCCC(NC(=O)C1=CC=CC(I)=C1)C1=N[N-]N=N1	REAL000000000831	1	32	-1.0	-46.29	302.08	4.73	-41.56
CCCC(NC(=O)C1=CC=CC(I)=C1)C1=NNN=N1	REAL000000000831	1	33	0.0	-11.54	305.51	4.75	-6.79
CCCC(NC(=O)C1=C(C)N(C2=NNC(=O)C=C2)N=C1)C1=NN=N[N-]1	REAL000000000832	0	41	-1.0	-47.74	351.09	1.99	-45.75
CCCC(NC(=O)C1=C(C)N(C2=NNC(=O)C=C2)N=C1)C1=N[N-]N=N1	REAL000000000832	1	41	-1.0	-47.74	351.03	1.98	-45.76
CCCC(NC(=O)C1=C(C)N(C2=NNC(=O)C=C2)N=C1)C1=NNN=N1	REAL000000000832	1	42	0.0	-15.11	354.47	1.99	-13.11
CCCC(NC(=O)C=CC1=CC=CC=C1OC)C1=NN=N[N-]1	REAL000000000833	0	40	-1.0	-50.61	337.25	4.23	-46.38
CCCC(NC(=O)C=CC1=CC=CC=C1OC)C1=N[N-]N=N1	REAL000000000833	1	40	-1.0	-50.61	337.19	4.22	-46.39
CCCC(NC(=O)C=CC1=CC=CC=C1OC)C1=NNN=N1	REAL000000000833	1	41	0.0	-13.68	340.62	4.24	-9.44
CCCC(NC(=O)CSC1=CC=C2C=CC=CC2=C1)C1=NN=N[N-]1	REAL000000000834	0	42	-1.0	-48.22	363.59	7.02	-41.19
CCCC(NC(=O)CSC1=CC=C2C=CC=CC2=C1)C1=N[N-]N=N1	REAL000000000834	1	42	-1.0	-48.22	363.53	7.03	-41.19
CCCC(NC(=O)CSC1=CC=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000000834	1	43	0.0	-10.83	359.78	6.71	-4.12
CCCC(NC(=O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C)C1=NN=N[N-]1	REAL000000000835	0	44	-1.0	-60.35	373.45	4.47	-55.89
CCCC(NC(=O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C)C1=N[N-]N=N1	REAL000000000835	1	44	-1.0	-60.33	373.40	4.46	-55.88
CCCC(NC(=O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C)C1=NNN=N1	REAL000000000835	1	45	0.0	-17.84	369.64	4.14	-13.70
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000000836	0	47	-1.0	-47.91	387.20	7.66	-40.25
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000000836	1	47	-1.0	-47.90	387.14	7.66	-40.24
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000000836	1	48	0.0	-13.47	390.57	7.67	-5.80
CCCC(NC(=O)CC1=C2C=CC=CC2=CC=C1)C1=NN=N[N-]1	REAL000000000837	0	41	-1.0	-48.15	341.65	6.43	-41.71
CCCC(NC(=O)CC1=C2C=CC=CC2=CC=C1)C1=N[N-]N=N1	REAL000000000837	1	41	-1.0	-48.15	341.60	6.43	-41.72
CCCC(NC(=O)CC1=C2C=CC=CC2=CC=C1)C1=NNN=N1	REAL000000000837	1	42	0.0	-13.12	345.03	6.45	-6.67
CCCC(NC(=O)C1=CC=C(N2N=C(C)C=C2C)C=C1)C1=NN=N[N-]1	REAL000000000838	0	45	-1.0	-50.41	373.46	5.86	-44.55
CCCC(NC(=O)C1=CC=C(N2N=C(C)C=C2C)C=C1)C1=N[N-]N=N1	REAL000000000838	1	45	-1.0	-50.41	373.40	5.85	-44.55
CCCC(NC(=O)C1=CC=C(N2N=C(C)C=C2C)C=C1)C1=NNN=N1	REAL000000000838	1	46	0.0	-15.76	376.85	5.86	-9.90
CCCC(NC(=O)CCCOC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000000839	0	42	-1.0	-49.01	350.35	4.73	-44.28
CCCC(NC(=O)CCCOC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000000839	1	42	-1.0	-49.01	350.29	4.73	-44.28
CCCC(NC(=O)CCCOC1=CC=CC=C1)C1=NNN=N1	REAL000000000839	1	43	0.0	-13.86	353.72	4.74	-9.12
CCCC(NC(=O)C1=CC=C2N=CSC2=C1)C1=NN=N[N-]1	REAL000000000840	0	34	-1.0	-47.06	305.44	3.04	-44.02
CCCC(NC(=O)C1=CC=C2N=CSC2=C1)C1=N[N-]N=N1	REAL000000000840	1	34	-1.0	-47.06	305.38	3.04	-44.02
CCCC(NC(=O)C1=CC=C2N=CSC2=C1)C1=NNN=N1	REAL000000000840	1	35	0.0	-9.58	301.63	2.71	-6.87
CCCC(NC(=O)CCCOC1=CC=C(OCC)C=C1)C1=NN=N[N-]1	REAL000000000841	0	49	-1.0	-49.42	401.70	4.96	-44.46
CCCC(NC(=O)CCCOC1=CC=C(OCC)C=C1)C1=N[N-]N=N1	REAL000000000841	1	49	-1.0	-49.41	401.64	4.96	-44.45
CCCC(NC(=O)CCCOC1=CC=C(OCC)C=C1)C1=NNN=N1	REAL000000000841	1	50	0.0	-14.78	405.07	4.97	-9.81
CCCC(NC(=O)C1=C(C)C(C(C)=O)=C(C)N1)C1=NN=N[N-]1	REAL000000000842	0	41	-1.0	-51.20	346.45	3.25	-47.94
CCCC(NC(=O)C1=C(C)C(C(C)=O)=C(C)N1)C1=N[N-]N=N1	REAL000000000842	1	41	-1.0	-51.19	346.39	3.25	-47.94
CCCC(NC(=O)C1=C(C)C(C(C)=O)=C(C)N1)C1=NNN=N1	REAL000000000842	1	42	0.0	-12.22	342.57	2.93	-9.29
CCCC(NC(=O)C1=CC=C(Br)O1)C1=NN=N[N-]1	REAL000000000843	0	29	-1.0	-41.92	280.27	2.37	-39.55
CCCC(NC(=O)C1=CC=C(Br)O1)C1=N[N-]N=N1	REAL000000000843	1	29	-1.0	-41.92	280.21	2.36	-39.55
CCCC(NC(=O)C1=CC=C(Br)O1)C1=NNN=N1	REAL000000000843	1	30	0.0	-8.00	283.65	2.38	-5.62
CCCCCOC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000000844	0	48	-1.0	-46.22	390.11	6.28	-39.94
CCCCCOC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000000844	1	48	-1.0	-46.20	390.05	6.27	-39.93
CCCCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000000844	1	49	0.0	-11.23	393.49	6.29	-4.94
CCCC(NC(=O)C1=CN=CC(Br)=C1)C1=NN=N[N-]1	REAL000000000845	0	31	-1.0	-43.01	290.67	2.48	-40.53
CCCC(NC(=O)C1=CN=CC(Br)=C1)C1=N[N-]N=N1	REAL000000000845	1	31	-1.0	-43.01	290.61	2.47	-40.54
CCCC(NC(=O)C1=CN=CC(Br)=C1)C1=NNN=N1	REAL000000000845	1	32	0.0	-7.03	286.85	2.15	-4.88
CCCC(NC(=O)CC1=C(F)C=CC=C1Cl)C1=NN=N[N-]1	REAL000000000846	0	35	-1.0	-47.59	318.33	4.78	-42.81
CCCC(NC(=O)CC1=C(F)C=CC=C1Cl)C1=N[N-]N=N1	REAL000000000846	1	35	-1.0	-47.59	318.28	4.78	-42.82
CCCC(NC(=O)CC1=C(F)C=CC=C1Cl)C1=NNN=N1	REAL000000000846	1	36	0.0	-11.07	321.72	4.79	-6.28
CCCC(NC(=O)C1=CC=CC(Cl)=C1Cl)C1=NN=N[N-]1	REAL000000000847	0	32	-1.0	-48.13	302.06	4.63	-43.50
CCCC(NC(=O)C1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL000000000847	1	32	-1.0	-48.12	302.00	4.64	-43.49
CCCC(NC(=O)C1=CC=CC(Cl)=C1Cl)C1=NNN=N1	REAL000000000847	1	33	0.0	-9.65	298.23	4.31	-5.34
CCCC(NC(=O)C1=CC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL000000000848	0	32	-1.0	-44.76	303.61	4.68	-40.08
CCCC(NC(=O)C1=CC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL000000000848	1	32	-1.0	-44.76	303.55	4.68	-40.08
CCCC(NC(=O)C1=CC(Cl)=CC=C1Cl)C1=NNN=N1	REAL000000000848	1	33	0.0	-9.82	306.98	4.69	-5.14
CCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000000849	0	32	-1.0	-42.26	307.81	4.68	-37.58
CCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000000849	1	32	-1.0	-42.26	307.76	4.67	-37.59
CCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1)C1=NNN=N1	REAL000000000849	1	33	0.0	-8.90	311.19	4.69	-4.21
CCCC(NC(=O)CC1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL000000000850	0	35	-1.0	-44.45	330.90	5.30	-39.15
CCCC(NC(=O)CC1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL000000000850	1	35	-1.0	-44.44	330.84	5.29	-39.15
CCCC(NC(=O)CC1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000000850	1	36	0.0	-9.76	327.09	4.97	-4.79
CCCC(NC(=O)C1=CC=C(N(CC)CC)C=C1)C1=NN=N[N-]1	REAL000000000851	0	46	-1.0	-48.42	369.25	5.94	-42.48
CCCC(NC(=O)C1=CC=C(N(CC)CC)C=C1)C1=N[N-]N=N1	REAL000000000851	1	46	-1.0	-48.41	369.20	5.94	-42.48
CCCC(NC(=O)C1=CC=C(N(CC)CC)C=C1)C1=NNN=N1	REAL000000000851	1	47	0.0	-11.36	372.63	5.96	-5.41
CCCC(NC(=O)C1=CC=CC(OC)=C1OC)C1=NN=N[N-]1	REAL000000000852	0	40	-1.0	-51.58	332.72	3.99	-47.59
CCCC(NC(=O)C1=CC=CC(OC)=C1OC)C1=N[N-]N=N1	REAL000000000852	1	40	-1.0	-51.59	332.66	3.98	-47.60
CCCC(NC(=O)C1=CC=CC(OC)=C1OC)C1=NNN=N1	REAL000000000852	1	41	0.0	-15.50	336.10	4.00	-11.50
CCCC(NC(=O)C1=CC=C(OC)C=C1OC)C1=NN=N[N-]1	REAL000000000853	0	40	-1.0	-51.37	331.04	3.53	-47.83
CCCC(NC(=O)C1=CC=C(OC)C=C1OC)C1=N[N-]N=N1	REAL000000000853	1	40	-1.0	-51.37	330.98	3.54	-47.83
CCCC(NC(=O)C1=CC=C(OC)C=C1OC)C1=NNN=N1	REAL000000000853	1	41	0.0	-14.61	334.43	3.54	-11.07
CCCC(NC(=O)C1=CC(OC)=CC(OC)=C1)C1=NN=N[N-]1	REAL000000000854	0	40	-1.0	-48.75	333.29	2.26	-46.48
CCCC(NC(=O)C1=CC(OC)=CC(OC)=C1)C1=N[N-]N=N1	REAL000000000854	1	40	-1.0	-48.74	333.23	2.27	-46.48
CCCC(NC(=O)C1=CC(OC)=CC(OC)=C1)C1=NNN=N1	REAL000000000854	1	41	0.0	-12.47	336.67	2.27	-10.20
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000000855	0	42	-1.0	-47.50	348.45	7.08	-40.43
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000000855	1	42	-1.0	-47.50	348.39	7.08	-40.42
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000000855	1	43	0.0	-8.61	344.62	6.76	-1.85
CCCC(NC(=O)COC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000000856	0	36	-1.0	-47.40	324.63	4.73	-42.67
CCCC(NC(=O)COC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000000856	1	36	-1.0	-47.39	324.57	4.73	-42.66
CCCC(NC(=O)COC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000856	1	37	0.0	-13.74	328.00	4.74	-9.00
CCCC(NC(=O)CCC(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000000857	0	40	-1.0	-43.49	357.32	5.47	-38.02
CCCC(NC(=O)CCC(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000000857	1	40	-1.0	-43.49	357.26	5.47	-38.02
CCCC(NC(=O)CCC(=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000857	1	41	0.0	-10.57	360.70	5.48	-5.09
CCCC(NC(=O)CCC1=NC2=CC=CC=C2N1C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000000858	0	51	-1.0	-51.42	422.97	8.68	-42.74
CCCC(NC(=O)CCC1=NC2=CC=CC=C2N1C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000000858	1	51	-1.0	-51.42	422.91	8.68	-42.74
CCCC(NC(=O)CCC1=NC2=CC=CC=C2N1C1=CC=CC=C1)C1=NNN=N1	REAL000000000858	1	52	0.0	-14.25	426.35	8.69	-5.57
CCCC(NC(=O)C1=NN(C)C(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000000859	0	40	-1.0	-44.46	339.12	3.11	-41.35
CCCC(NC(=O)C1=NN(C)C(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000000859	1	40	-1.0	-44.46	339.07	3.11	-41.34
CCCC(NC(=O)C1=NN(C)C(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000000859	1	41	0.0	-11.79	342.50	3.12	-8.67
CCCC(NC(=O)CNC(=O)COC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000000860	0	43	-1.0	-46.77	366.86	2.73	-44.04
CCCC(NC(=O)CNC(=O)COC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000000860	1	43	-1.0	-46.77	366.81	2.72	-44.05
CCCC(NC(=O)CNC(=O)COC1=CC=CC=C1)C1=NNN=N1	REAL000000000860	1	44	0.0	-15.22	370.24	2.74	-12.48
CCCC(NC(=O)CCC(=O)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000000861	0	43	-1.0	-45.06	362.00	5.63	-39.43
CCCC(NC(=O)CCC(=O)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000000861	1	43	-1.0	-45.05	361.94	5.62	-39.43
CCCC(NC(=O)CCC(=O)C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000000861	1	44	0.0	-11.16	365.38	5.64	-5.52
CCCC(NC(=O)CCC1=CNC2=CC=CC=C12)C1=NN=N[N-]1	REAL000000000862	0	42	-1.0	-46.81	352.29	5.18	-41.63
CCCC(NC(=O)CCC1=CNC2=CC=CC=C12)C1=N[N-]N=N1	REAL000000000862	1	42	-1.0	-46.81	352.23	5.18	-41.62
CCCC(NC(=O)CCC1=CNC2=CC=CC=C12)C1=NNN=N1	REAL000000000862	1	43	0.0	-13.02	355.66	5.19	-7.83
CCCC(NC(=O)CSC1=NC(C)=CC(C)=N1)C1=NN=N[N-]1	REAL000000000863	0	40	-1.0	-49.84	353.20	3.58	-46.27
CCCC(NC(=O)CSC1=NC(C)=CC(C)=N1)C1=N[N-]N=N1	REAL000000000863	1	40	-1.0	-49.84	353.14	3.57	-46.27
CCCC(NC(=O)CSC1=NC(C)=CC(C)=N1)C1=NNN=N1	REAL000000000863	1	41	0.0	-14.82	356.58	3.59	-11.24
CCCC(NC(=O)CNC(=O)C1=C(Cl)C2=CC=CC=C2S1)C1=NN=N[N-]1	REAL000000000864	0	42	-1.0	-46.61	385.07	4.04	-42.58
CCCC(NC(=O)CNC(=O)C1=C(Cl)C2=CC=CC=C2S1)C1=N[N-]N=N1	REAL000000000864	1	42	-1.0	-46.61	385.02	4.03	-42.58
CCCC(NC(=O)CNC(=O)C1=C(Cl)C2=CC=CC=C2S1)C1=NNN=N1	REAL000000000864	1	43	0.0	-13.47	388.45	4.05	-9.42
CCCC(NC(=O)CN(C)S(=O)(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000000865	0	43	-1.0	-52.29	390.39	2.57	-49.72
CCCC(NC(=O)CN(C)S(=O)(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000000865	1	43	-1.0	-52.29	390.33	2.57	-49.72
CCCC(NC(=O)CN(C)S(=O)(=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000865	1	44	0.0	-11.69	385.40	2.24	-9.46
CCCC(NC(=O)CN1C(=O)NC(C)(C2=CC=C(F)C=C2)C1=O)C1=NN=N[N-]1	REAL000000000866	0	47	-1.0	-54.39	400.50	3.43	-50.96
CCCC(NC(=O)CN1C(=O)NC(C)(C2=CC=C(F)C=C2)C1=O)C1=N[N-]N=N1	REAL000000000866	1	47	-1.0	-54.39	400.45	3.42	-50.97
CCCC(NC(=O)CN1C(=O)NC(C)(C2=CC=C(F)C=C2)C1=O)C1=NNN=N1	REAL000000000866	1	48	0.0	-13.65	396.68	3.10	-10.55
CCCC(NC(=O)CSC1=CC(C)=CC=C1C)C1=NN=N[N-]1	REAL000000000867	0	42	-1.0	-46.65	357.41	6.04	-40.61
CCCC(NC(=O)CSC1=CC(C)=CC=C1C)C1=N[N-]N=N1	REAL000000000867	1	42	-1.0	-46.65	357.35	6.04	-40.61
CCCC(NC(=O)CSC1=CC(C)=CC=C1C)C1=NNN=N1	REAL000000000867	1	43	0.0	-12.19	360.78	6.05	-6.14
CCCC(NC(=O)CSC1=CC(C)=C(Br)C=C1C)C1=NN=N[N-]1	REAL000000000868	0	42	-1.0	-45.07	375.46	6.57	-38.50
CCCC(NC(=O)CSC1=CC(C)=C(Br)C=C1C)C1=N[N-]N=N1	REAL000000000868	1	42	-1.0	-45.06	375.40	6.56	-38.50
CCCC(NC(=O)CSC1=CC(C)=C(Br)C=C1C)C1=NNN=N1	REAL000000000868	1	43	0.0	-11.90	378.84	6.58	-5.32
CCCC(NC(=O)COC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000000869	0	38	-1.0	-62.34	333.92	5.38	-56.96
CCCC(NC(=O)COC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000000869	1	38	-1.0	-62.34	333.86	5.38	-56.97
CCCC(NC(=O)COC1=CC=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000000869	1	39	0.0	-25.38	337.29	5.39	-19.99
CCCC(NC(=O)C=CC1=CC(Cl)=C2OCOC2=C1)C1=NN=N[N-]1	REAL000000000870	0	39	-1.0	-46.61	351.68	4.03	-42.59
CCCC(NC(=O)C=CC1=CC(Cl)=C2OCOC2=C1)C1=N[N-]N=N1	REAL000000000870	1	39	-1.0	-46.61	351.62	4.02	-42.59
CCCC(NC(=O)C=CC1=CC(Cl)=C2OCOC2=C1)C1=NNN=N1	REAL000000000870	1	40	0.0	-10.16	347.79	3.70	-6.46
CCCC(NC(=O)CCN1NC(=O)C2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL000000000871	0	44	-1.0	-48.33	375.58	2.22	-46.10
CCCC(NC(=O)CCN1NC(=O)C2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL000000000871	1	44	-1.0	-48.32	375.53	2.22	-46.10
CCCC(NC(=O)CCN1NC(=O)C2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000000871	1	45	0.0	-13.10	371.73	1.90	-11.20
CCCC(NC(=O)C1=C(C)N(CC2=CC=CO2)C(C)=C1)C1=NN=N[N-]1	REAL000000000872	0	46	-1.0	-51.26	381.26	6.22	-45.04
CCCC(NC(=O)C1=C(C)N(CC2=CC=CO2)C(C)=C1)C1=N[N-]N=N1	REAL000000000872	1	46	-1.0	-51.26	381.20	6.22	-45.05
CCCC(NC(=O)C1=C(C)N(CC2=CC=CO2)C(C)=C1)C1=NNN=N1	REAL000000000872	1	47	0.0	-10.47	377.46	5.89	-4.57
CCCC(NC(=O)CCC1=C(C)N2N=CN=C2N=C1C)C1=NN=N[N-]1	REAL000000000873	0	45	-1.0	-48.58	371.36	7.05	-41.53
CCCC(NC(=O)CCC1=C(C)N2N=CN=C2N=C1C)C1=N[N-]N=N1	REAL000000000873	1	45	-1.0	-48.58	371.30	7.05	-41.53
CCCC(NC(=O)CCC1=C(C)N2N=CN=C2N=C1C)C1=NNN=N1	REAL000000000873	1	46	0.0	-18.96	374.72	7.06	-11.91
CCCC(NC(=O)[C@H](C)NC(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000000874	0	46	-1.0	-43.80	389.79	3.31	-40.49
CCCC(NC(=O)[C@H](C)NC(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000000874	1	46	-1.0	-43.79	389.74	3.31	-40.49
CCCC(NC(=O)[C@H](C)NC(=O)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000000874	1	47	0.0	-11.77	393.17	3.32	-8.45
CCCC(NC(=O)CSC1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL000000000875	0	43	-1.0	-47.30	363.06	6.70	-40.60
CCCC(NC(=O)CSC1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL000000000875	1	43	-1.0	-47.30	363.01	6.70	-40.59
CCCC(NC(=O)CSC1=CC=C2CCCC2=C1)C1=NNN=N1	REAL000000000875	1	44	0.0	-12.87	366.41	6.71	-6.15
CCCC(NC(=O)COC1=CC=C(F)C=C1Cl)C1=NN=N[N-]1	REAL000000000876	0	36	-1.0	-49.70	330.33	4.82	-44.88
CCCC(NC(=O)COC1=CC=C(F)C=C1Cl)C1=N[N-]N=N1	REAL000000000876	1	36	-1.0	-49.69	330.27	4.81	-44.88
CCCC(NC(=O)COC1=CC=C(F)C=C1Cl)C1=NNN=N1	REAL000000000876	1	37	0.0	-12.54	326.48	4.39	-8.15
CCCC(NC(=O)C1=CC=C(NC(=O)C2=CC=CS2)C=C1)C1=NN=N[N-]1	REAL000000000877	0	43	-1.0	-50.82	378.12	4.67	-46.14
CCCC(NC(=O)C1=CC=C(NC(=O)C2=CC=CS2)C=C1)C1=N[N-]N=N1	REAL000000000877	1	43	-1.0	-50.81	378.06	4.67	-46.14
CCCC(NC(=O)C1=CC=C(NC(=O)C2=CC=CS2)C=C1)C1=NNN=N1	REAL000000000877	1	44	0.0	-14.05	381.81	4.67	-9.38
CCCC(NC(=O)CCNC(=O)C1=CSC=C1)C1=NN=N[N-]1	REAL000000000878	0	39	-1.0	-55.24	346.80	1.70	-53.54
CCCC(NC(=O)CCNC(=O)C1=CSC=C1)C1=N[N-]N=N1	REAL000000000878	1	39	-1.0	-55.24	346.74	1.69	-53.55
CCCC(NC(=O)CCNC(=O)C1=CSC=C1)C1=NNN=N1	REAL000000000878	1	40	0.0	-20.30	350.17	1.71	-18.59
CCCC(NC(=O)CCCNC(=O)C1=CSC=C1)C1=NN=N[N-]1	REAL000000000879	0	42	-1.0	-49.08	368.29	2.50	-46.59
CCCC(NC(=O)CCCNC(=O)C1=CSC=C1)C1=N[N-]N=N1	REAL000000000879	1	42	-1.0	-49.07	368.23	2.50	-46.58
CCCC(NC(=O)CCCNC(=O)C1=CSC=C1)C1=NNN=N1	REAL000000000879	1	43	0.0	-15.58	371.67	2.51	-13.07
CCCC(NC(=O)CC(C)NC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000000880	0	45	-1.0	-56.66	374.82	3.93	-52.73
CCCC(NC(=O)CC(C)NC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000000880	1	45	-1.0	-56.65	374.76	3.92	-52.73
CCCC(NC(=O)CC(C)NC(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000000880	1	46	0.0	-18.61	378.19	3.95	-14.67
CCCC(NC(=O)CC(NC(C)=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000000881	0	45	-1.0	-53.15	394.43	4.55	-48.60
CCCC(NC(=O)CC(NC(C)=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000000881	1	45	-1.0	-53.15	394.37	4.56	-48.59
CCCC(NC(=O)CC(NC(C)=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000881	1	46	0.0	-18.84	398.09	4.48	-14.36
CCCC(NC(=O)CC(NC(C)=O)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000000882	0	48	-1.0	-48.67	399.01	4.69	-43.97
CCCC(NC(=O)CC(NC(C)=O)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000000882	1	48	-1.0	-48.67	398.95	4.68	-43.98
CCCC(NC(=O)CC(NC(C)=O)C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000000882	1	49	0.0	-19.03	402.38	4.70	-14.33
CCCC(NC(=O)C(C)SC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL000000000883	0	41	-1.0	-45.83	369.46	6.18	-39.64
CCCC(NC(=O)C(C)SC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL000000000883	1	41	-1.0	-45.82	369.40	6.18	-39.65
CCCC(NC(=O)C(C)SC1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000000883	1	42	0.0	-13.53	367.66	5.93	-7.60
CCCC(NC(=O)C1=CC=C2OCCCOC2=C1)C1=NN=N[N-]1	REAL000000000884	0	41	-1.0	-48.09	337.15	3.60	-44.49
CCCC(NC(=O)C1=CC=C2OCCCOC2=C1)C1=N[N-]N=N1	REAL000000000884	1	41	-1.0	-48.10	337.09	3.60	-44.50
CCCC(NC(=O)C1=CC=C2OCCCOC2=C1)C1=NNN=N1	REAL000000000884	1	42	0.0	-13.95	340.52	3.62	-10.34
CCCC(NC(=O)CCCN1C(=O)CNC1=O)C1=NN=N[N-]1	REAL000000000885	0	40	-1.0	-55.03	341.87	0.06	-54.97
CCCC(NC(=O)CCCN1C(=O)CNC1=O)C1=N[N-]N=N1	REAL000000000885	1	40	-1.0	-55.02	341.81	0.06	-54.96
CCCC(NC(=O)CCCN1C(=O)CNC1=O)C1=NNN=N1	REAL000000000885	1	41	0.0	-19.13	345.25	0.07	-19.06
CCCC(NC(=O)C1=CC=C(C2SCCCS2)C=C1)C1=NN=N[N-]1	REAL000000000886	0	44	-1.0	-47.26	379.00	7.20	-40.06
CCCC(NC(=O)C1=CC=C(C2SCCCS2)C=C1)C1=N[N-]N=N1	REAL000000000886	1	44	-1.0	-47.27	378.94	7.20	-40.07
CCCC(NC(=O)C1=CC=C(C2SCCCS2)C=C1)C1=NNN=N1	REAL000000000886	1	45	0.0	-8.48	375.20	6.88	-1.59
CCCC(NC(=O)CSC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000000887	0	40	-1.0	-47.20	346.97	4.09	-43.11
CCCC(NC(=O)CSC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000000887	1	40	-1.0	-47.20	346.92	4.09	-43.11
CCCC(NC(=O)CSC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000000887	1	41	0.0	-13.64	350.35	4.10	-9.54
CCCC(NC(=O)C=CC1=NC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL000000000888	0	38	-1.0	-48.88	334.14	1.92	-46.96
CCCC(NC(=O)C=CC1=NC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL000000000888	1	38	-1.0	-48.89	334.08	1.91	-46.97
CCCC(NC(=O)C=CC1=NC2=CC=CC=C2O1)C1=NNN=N1	REAL000000000888	1	39	0.0	-14.48	337.51	1.93	-12.55
CCCC(NC(=O)C1=CC=C2OCC(=O)NC2=C1)C1=NN=N[N-]1	REAL000000000889	0	38	-1.0	-48.29	325.06	0.89	-47.40
CCCC(NC(=O)C1=CC=C2OCC(=O)NC2=C1)C1=N[N-]N=N1	REAL000000000889	1	38	-1.0	-48.28	325.00	0.89	-47.39
CCCC(NC(=O)C1=CC=C2OCC(=O)NC2=C1)C1=NNN=N1	REAL000000000889	1	39	0.0	-15.07	328.44	0.90	-14.17
CCCC(NC(=O)CCC(=O)C1=CC=C(C)S1)C1=NN=N[N-]1	REAL000000000890	0	40	-1.0	-45.23	353.28	4.86	-40.38
CCCC(NC(=O)CCC(=O)C1=CC=C(C)S1)C1=N[N-]N=N1	REAL000000000890	1	40	-1.0	-45.23	353.22	4.85	-40.38
CCCC(NC(=O)CCC(=O)C1=CC=C(C)S1)C1=NNN=N1	REAL000000000890	1	41	0.0	-8.77	349.47	4.53	-4.23
CCCC(NC(=O)C1=CC(Cl)=C2OCOC2=C1)C1=NN=N[N-]1	REAL000000000891	0	35	-1.0	-44.18	317.10	2.84	-41.34
CCCC(NC(=O)C1=CC(Cl)=C2OCOC2=C1)C1=N[N-]N=N1	REAL000000000891	1	35	-1.0	-44.17	317.04	2.83	-41.34
CCCC(NC(=O)C1=CC(Cl)=C2OCOC2=C1)C1=NNN=N1	REAL000000000891	1	36	0.0	-8.53	313.28	2.52	-6.01
CCCC(NC(=O)C1=CC=C2SCCC(=O)NC2=C1)C1=NN=N[N-]1	REAL000000000892	0	41	-1.0	-48.62	350.87	3.05	-45.57
CCCC(NC(=O)C1=CC=C2SCCC(=O)NC2=C1)C1=N[N-]N=N1	REAL000000000892	1	41	-1.0	-48.62	350.81	3.05	-45.57
CCCC(NC(=O)C1=CC=C2SCCC(=O)NC2=C1)C1=NNN=N1	REAL000000000892	1	42	0.0	-15.43	354.24	3.06	-12.36
CCCC(NC(=O)C=CC1=CC(Cl)=C2OCCOC2=C1)C1=NN=N[N-]1	REAL000000000893	0	42	-1.0	-47.65	369.31	4.55	-43.10
CCCC(NC(=O)C=CC1=CC(Cl)=C2OCCOC2=C1)C1=N[N-]N=N1	REAL000000000893	1	42	-1.0	-47.65	369.25	4.55	-43.10
CCCC(NC(=O)C=CC1=CC(Cl)=C2OCCOC2=C1)C1=NNN=N1	REAL000000000893	1	43	0.0	-13.09	372.68	4.56	-8.54
CCCC(NC(=O)C(=O)NC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000000894	0	39	-1.0	-41.76	332.93	2.59	-39.18
CCCC(NC(=O)C(=O)NC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000000894	1	39	-1.0	-41.76	332.87	2.59	-39.18
CCCC(NC(=O)C(=O)NC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000000894	1	40	0.0	-7.90	329.12	2.27	-5.63
CCCC(NC(=O)CSC1=CC=C(OCC)C=C1)C1=NN=N[N-]1	REAL000000000895	0	43	-1.0	-47.00	368.83	5.02	-41.98
CCCC(NC(=O)CSC1=CC=C(OCC)C=C1)C1=N[N-]N=N1	REAL000000000895	1	43	-1.0	-46.99	368.77	5.01	-41.98
CCCC(NC(=O)CSC1=CC=C(OCC)C=C1)C1=NNN=N1	REAL000000000895	1	44	0.0	-13.47	372.20	5.03	-8.44
CCCC(NC(=O)CCC1=NC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL000000000896	0	40	-1.0	-48.02	342.71	2.11	-45.91
CCCC(NC(=O)CCC1=NC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL000000000896	1	40	-1.0	-48.01	342.65	2.11	-45.90
CCCC(NC(=O)CCC1=NC2=CC=CC=C2O1)C1=NNN=N1	REAL000000000896	1	41	0.0	-14.23	346.08	2.12	-12.11
CCCC(NC(=O)C1=CC(Cl)=C2OCCOC2=C1)C1=NN=N[N-]1	REAL000000000897	0	38	-1.0	-46.49	334.76	3.36	-43.13
CCCC(NC(=O)C1=CC(Cl)=C2OCCOC2=C1)C1=N[N-]N=N1	REAL000000000897	1	38	-1.0	-46.49	334.70	3.36	-43.13
CCCC(NC(=O)C1=CC(Cl)=C2OCCOC2=C1)C1=NNN=N1	REAL000000000897	1	39	0.0	-9.19	330.93	3.05	-6.15
CCCC(NC(=O)CSC1=CC=C(C(F)(F)F)C=N1)C1=NN=N[N-]1	REAL000000000898	0	38	-1.0	-44.33	354.71	4.18	-40.16
CCCC(NC(=O)CSC1=CC=C(C(F)(F)F)C=N1)C1=N[N-]N=N1	REAL000000000898	1	38	-1.0	-44.34	354.65	4.18	-40.16
CCCC(NC(=O)CSC1=CC=C(C(F)(F)F)C=N1)C1=NNN=N1	REAL000000000898	1	39	0.0	-8.21	350.90	3.87	-4.35
CCCC(NC(=O)C1=CC=C(CN2CCCC2=O)C=C1)C1=NN=N[N-]1	REAL000000000899	0	46	-1.0	-51.54	381.80	5.41	-46.13
CCCC(NC(=O)C1=CC=C(CN2CCCC2=O)C=C1)C1=N[N-]N=N1	REAL000000000899	1	46	-1.0	-51.54	381.74	5.40	-46.14
CCCC(NC(=O)C1=CC=C(CN2CCCC2=O)C=C1)C1=NNN=N1	REAL000000000899	1	47	0.0	-13.27	378.00	5.08	-8.18
CCCC(NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)C1=NN=N[N-]1	REAL000000000900	0	47	-1.0	-49.52	386.12	1.81	-47.71
CCCC(NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)C1=N[N-]N=N1	REAL000000000900	1	47	-1.0	-49.52	386.07	1.81	-47.70
CCCC(NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)C1=NNN=N1	REAL000000000900	1	48	0.0	-14.19	389.50	1.82	-12.37
CCCC(NC(=O)CCC1=CC=C(S(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL000000000901	0	43	-1.0	-50.78	374.61	0.07	-50.71
CCCC(NC(=O)CCC1=CC=C(S(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL000000000901	1	43	-1.0	-50.78	374.56	0.08	-50.70
CCCC(NC(=O)CCC1=CC=C(S(N)(=O)=O)C=C1)C1=NNN=N1	REAL000000000901	1	44	0.0	-17.16	377.99	0.09	-17.07
CCCC(NC(=O)CCC1=CC=C(S(=O)(=O)NC)C=C1)C1=NN=N[N-]1	REAL000000000902	0	46	-1.0	-49.89	396.99	1.30	-48.59
CCCC(NC(=O)CCC1=CC=C(S(=O)(=O)NC)C=C1)C1=N[N-]N=N1	REAL000000000902	1	46	-1.0	-49.89	396.93	1.29	-48.59
CCCC(NC(=O)CCC1=CC=C(S(=O)(=O)NC)C=C1)C1=NNN=N1	REAL000000000902	1	47	0.0	-14.08	393.17	0.98	-13.10
CCCC(NC(=O)CN1C=C(C(F)(F)F)C=CC1=O)C1=NN=N[N-]1	REAL000000000903	0	38	-1.0	-56.20	341.91	3.90	-52.30
CCCC(NC(=O)CN1C=C(C(F)(F)F)C=CC1=O)C1=N[N-]N=N1	REAL000000000903	1	38	-1.0	-56.20	341.85	3.89	-52.30
CCCC(NC(=O)CN1C=C(C(F)(F)F)C=CC1=O)C1=NNN=N1	REAL000000000903	1	39	0.0	-19.16	345.29	3.91	-15.25
CCCC(NC(=O)CCC1=CC=C(OC)C(Br)=C1)C1=NN=N[N-]1	REAL000000000904	0	42	-1.0	-45.14	370.30	5.10	-40.04
CCCC(NC(=O)CCC1=CC=C(OC)C(Br)=C1)C1=N[N-]N=N1	REAL000000000904	1	42	-1.0	-45.14	370.24	5.10	-40.04
CCCC(NC(=O)CCC1=CC=C(OC)C(Br)=C1)C1=NNN=N1	REAL000000000904	1	43	0.0	-12.54	373.67	5.11	-7.43
CCCC(NC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL000000000905	0	49	-1.0	-49.66	404.84	3.18	-46.47
CCCC(NC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL000000000905	1	49	-1.0	-49.66	404.78	3.18	-46.47
CCCC(NC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N(C)C)=C1)C1=NNN=N1	REAL000000000905	1	50	0.0	-18.88	398.01	2.74	-16.14
CCCC(NC(=O)C=CC1=CC=C(N2C=CN=C2)C=C1)C1=NN=N[N-]1	REAL000000000906	0	43	-1.0	-49.34	364.70	7.24	-42.11
CCCC(NC(=O)C=CC1=CC=C(N2C=CN=C2)C=C1)C1=N[N-]N=N1	REAL000000000906	1	43	-1.0	-49.34	364.64	7.23	-42.12
CCCC(NC(=O)C=CC1=CC=C(N2C=CN=C2)C=C1)C1=NNN=N1	REAL000000000906	1	44	0.0	-15.42	368.07	7.25	-8.18
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C1=NN=N[N-]1	REAL000000000907	0	44	-1.0	-48.22	383.32	1.51	-46.72
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C1=N[N-]N=N1	REAL000000000907	1	44	-1.0	-48.22	383.26	1.50	-46.73
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C1=NNN=N1	REAL000000000907	1	45	0.0	-15.83	386.69	1.51	-14.33
CCCC(NC(=O)CSC1=NC=CN1C1=CC(C)=CC(C)=C1)C1=NN=N[N-]1	REAL000000000908	0	49	-1.0	-48.28	422.13	8.03	-40.25
CCCC(NC(=O)CSC1=NC=CN1C1=CC(C)=CC(C)=C1)C1=N[N-]N=N1	REAL000000000908	1	49	-1.0	-48.28	422.08	8.03	-40.25
CCCC(NC(=O)CSC1=NC=CN1C1=CC(C)=CC(C)=C1)C1=NNN=N1	REAL000000000908	1	50	0.0	-13.35	425.51	8.04	-5.31
CCCC(NC(=O)CSC1=NC=CN1C1=CC=CC=C1C)C1=NN=N[N-]1	REAL000000000909	0	46	-1.0	-47.79	395.68	7.06	-40.73
CCCC(NC(=O)CSC1=NC=CN1C1=CC=CC=C1C)C1=N[N-]N=N1	REAL000000000909	1	46	-1.0	-47.78	395.63	7.05	-40.73
CCCC(NC(=O)CSC1=NC=CN1C1=CC=CC=C1C)C1=NNN=N1	REAL000000000909	1	47	0.0	-13.11	399.17	7.06	-6.05
CCCC(NC(=O)CSC1=NC=CN1C1=CC=CC(C)=C1C)C1=NN=N[N-]1	REAL000000000910	0	49	-1.0	-47.83	412.81	7.59	-40.24
CCCC(NC(=O)CSC1=NC=CN1C1=CC=CC(C)=C1C)C1=N[N-]N=N1	REAL000000000910	1	49	-1.0	-47.84	412.76	7.59	-40.24
CCCC(NC(=O)CSC1=NC=CN1C1=CC=CC(C)=C1C)C1=NNN=N1	REAL000000000910	1	50	0.0	-10.52	408.96	7.28	-3.24
CCCC(NC(=O)CSC1=NC=CN1C1=CC(C)=CC=C1C)C1=NN=N[N-]1	REAL000000000911	0	49	-1.0	-47.65	417.21	7.73	-39.93
CCCC(NC(=O)CSC1=NC=CN1C1=CC(C)=CC=C1C)C1=N[N-]N=N1	REAL000000000911	1	49	-1.0	-47.65	417.15	7.73	-39.93
CCCC(NC(=O)CSC1=NC=CN1C1=CC(C)=CC=C1C)C1=NNN=N1	REAL000000000911	1	50	0.0	-13.02	420.59	7.74	-5.29
CCCC(NC(=O)CCC1=CC=C2C=CC=CC2=N1)C1=NN=N[N-]1	REAL000000000912	0	43	-1.0	-50.01	360.85	5.48	-44.52
CCCC(NC(=O)CCC1=CC=C2C=CC=CC2=N1)C1=N[N-]N=N1	REAL000000000912	1	43	-1.0	-50.01	360.79	5.47	-44.53
CCCC(NC(=O)CCC1=CC=C2C=CC=CC2=N1)C1=NNN=N1	REAL000000000912	1	44	0.0	-12.29	364.23	5.49	-6.80
CCCC(NC(=O)C1=CC=C(N2N=C(C)C(Cl)=C2C)C=C1)C1=NN=N[N-]1	REAL000000000913	0	45	-1.0	-48.31	389.30	6.35	-41.97
CCCC(NC(=O)C1=CC=C(N2N=C(C)C(Cl)=C2C)C=C1)C1=N[N-]N=N1	REAL000000000913	1	45	-1.0	-48.31	389.25	6.34	-41.97
CCCC(NC(=O)C1=CC=C(N2N=C(C)C(Cl)=C2C)C=C1)C1=NNN=N1	REAL000000000913	1	46	0.0	-14.41	392.68	6.35	-8.06
CCCC(NC(=O)C1=CC=C2NC(=O)COC2=C1)C1=NN=N[N-]1	REAL000000000914	0	38	-1.0	-49.37	325.01	0.89	-48.49
CCCC(NC(=O)C1=CC=C2NC(=O)COC2=C1)C1=N[N-]N=N1	REAL000000000914	1	38	-1.0	-49.37	324.95	0.88	-48.50
CCCC(NC(=O)C1=CC=C2NC(=O)COC2=C1)C1=NNN=N1	REAL000000000914	1	39	0.0	-15.69	328.38	0.89	-14.79
CCCC(NC(=O)CSC1=NC=CN1C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000000915	0	47	-1.0	-48.25	408.83	6.00	-42.25
CCCC(NC(=O)CSC1=NC=CN1C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000000915	1	47	-1.0	-48.24	408.77	6.00	-42.25
CCCC(NC(=O)CSC1=NC=CN1C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000000915	1	48	0.0	-13.66	412.21	6.01	-7.66
CCCC(NC(=O)C1CCCN(C(=O)C2=CC=C(Cl)C=C2)C1)C1=NN=N[N-]1	REAL000000000916	0	49	-1.0	-48.16	408.10	5.94	-42.22
CCCC(NC(=O)C1CCCN(C(=O)C2=CC=C(Cl)C=C2)C1)C1=N[N-]N=N1	REAL000000000916	1	49	-1.0	-48.16	408.04	5.93	-42.23
CCCC(NC(=O)C1CCCN(C(=O)C2=CC=C(Cl)C=C2)C1)C1=NNN=N1	REAL000000000916	1	50	0.0	-12.66	411.48	5.95	-6.71
CCCC(NC(=O)C1=CC=C(N2C=CC=N2)C=C1)C1=NN=N[N-]1	REAL000000000917	0	39	-1.0	-50.28	332.63	4.84	-45.44
CCCC(NC(=O)C1=CC=C(N2C=CC=N2)C=C1)C1=N[N-]N=N1	REAL000000000917	1	39	-1.0	-50.28	332.57	4.84	-45.43
CCCC(NC(=O)C1=CC=C(N2C=CC=N2)C=C1)C1=NNN=N1	REAL000000000917	1	40	0.0	-15.89	336.01	4.85	-11.04
CCCC(NC(=O)COC1=CC=C(C)C=C1Br)C1=NN=N[N-]1	REAL000000000918	0	39	-1.0	-50.86	349.72	5.54	-45.32
CCCC(NC(=O)COC1=CC=C(C)C=C1Br)C1=N[N-]N=N1	REAL000000000918	1	39	-1.0	-50.85	349.66	5.53	-45.32
CCCC(NC(=O)COC1=CC=C(C)C=C1Br)C1=NNN=N1	REAL000000000918	1	40	0.0	-15.76	353.09	5.55	-10.21
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)N(C)OC)=C1)C1=NN=N[N-]1	REAL000000000919	0	44	-1.0	-54.24	382.46	1.83	-52.41
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)N(C)OC)=C1)C1=N[N-]N=N1	REAL000000000919	1	44	-1.0	-54.24	382.41	1.83	-52.41
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)N(C)OC)=C1)C1=NNN=N1	REAL000000000919	1	45	0.0	-15.09	378.64	1.51	-13.58
CCCC(NC(=O)COCC1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL000000000920	0	41	-1.0	-56.31	365.12	4.12	-52.19
CCCC(NC(=O)COCC1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL000000000920	1	41	-1.0	-56.31	365.07	4.12	-52.19
CCCC(NC(=O)COCC1=NC2=CC=CC=C2S1)C1=NNN=N1	REAL000000000920	1	42	0.0	-19.19	368.50	4.13	-15.06
CCCC(NC(=O)C1=CC(Cl)=C2OCCCOC2=C1)C1=NN=N[N-]1	REAL000000000921	0	41	-1.0	-46.08	353.18	4.15	-41.93
CCCC(NC(=O)C1=CC(Cl)=C2OCCCOC2=C1)C1=N[N-]N=N1	REAL000000000921	1	41	-1.0	-46.07	353.13	4.14	-41.93
CCCC(NC(=O)C1=CC(Cl)=C2OCCCOC2=C1)C1=NNN=N1	REAL000000000921	1	42	0.0	-11.65	356.54	4.16	-7.49
CCCC(NC(=O)C1CCN(C2=CC=C(C(F)(F)F)C=N2)CC1)C1=NN=N[N-]1	REAL000000000922	0	49	-1.0	-46.87	405.22	5.19	-41.68
CCCC(NC(=O)C1CCN(C2=CC=C(C(F)(F)F)C=N2)CC1)C1=N[N-]N=N1	REAL000000000922	1	49	-1.0	-46.86	405.16	5.19	-41.67
CCCC(NC(=O)C1CCN(C2=CC=C(C(F)(F)F)C=N2)CC1)C1=NNN=N1	REAL000000000922	1	50	0.0	-9.91	401.41	4.87	-5.03
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000000923	0	52	-1.0	-51.13	402.85	4.60	-46.52
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000000923	1	52	-1.0	-51.13	402.79	4.59	-46.54
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000000923	1	53	0.0	-11.99	399.05	4.28	-7.71
CCCC(NC(=O)C1=CC2=CC=C(F)C=C2S1)C1=NN=N[N-]1	REAL000000000924	0	35	-1.0	-44.01	319.85	5.12	-38.89
CCCC(NC(=O)C1=CC2=CC=C(F)C=C2S1)C1=N[N-]N=N1	REAL000000000924	1	35	-1.0	-44.02	319.80	5.11	-38.90
CCCC(NC(=O)C1=CC2=CC=C(F)C=C2S1)C1=NNN=N1	REAL000000000924	1	36	0.0	-9.48	323.23	5.13	-4.35
CCCC(NC(=O)C=CC1=CC(Cl)=C2OCCCOC2=C1)C1=NN=N[N-]1	REAL000000000925	0	45	-1.0	-47.41	387.71	5.33	-42.08
CCCC(NC(=O)C=CC1=CC(Cl)=C2OCCCOC2=C1)C1=N[N-]N=N1	REAL000000000925	1	45	-1.0	-47.40	387.65	5.32	-42.08
CCCC(NC(=O)C=CC1=CC(Cl)=C2OCCCOC2=C1)C1=NNN=N1	REAL000000000925	1	46	0.0	-13.06	391.08	5.34	-7.72
CCCC(NC(=O)C=CC1=CC=CC(OC)=C1OC(F)F)C1=NN=N[N-]1	REAL000000000926	0	44	-1.0	-53.31	378.11	4.48	-48.83
CCCC(NC(=O)C=CC1=CC=CC(OC)=C1OC(F)F)C1=N[N-]N=N1	REAL000000000926	1	44	-1.0	-53.31	378.05	4.47	-48.83
CCCC(NC(=O)C=CC1=CC=CC(OC)=C1OC(F)F)C1=NNN=N1	REAL000000000926	1	45	0.0	-17.18	381.47	4.49	-12.69
CCCC(NC(=O)CCCN1C(=O)CN(C)C1=O)C1=NN=N[N-]1	REAL000000000927	0	43	-1.0	-55.30	364.29	2.45	-52.85
CCCC(NC(=O)CCCN1C(=O)CN(C)C1=O)C1=N[N-]N=N1	REAL000000000927	1	43	-1.0	-55.31	364.23	2.45	-52.85
CCCC(NC(=O)CCCN1C(=O)CN(C)C1=O)C1=NNN=N1	REAL000000000927	1	44	0.0	-16.31	360.48	2.14	-14.17
CCCC(NC(=O)CC1=CC=C(OC(F)F)C=C1)C1=NN=N[N-]1	REAL000000000928	0	39	-1.0	-48.85	338.24	3.89	-44.97
CCCC(NC(=O)CC1=CC=C(OC(F)F)C=C1)C1=N[N-]N=N1	REAL000000000928	1	39	-1.0	-48.86	338.18	3.89	-44.97
CCCC(NC(=O)CC1=CC=C(OC(F)F)C=C1)C1=NNN=N1	REAL000000000928	1	40	0.0	-15.20	341.61	3.90	-11.30
CCCC(NC(=O)C1=CC=C(F)C=C1Br)C1=NN=N[N-]1	REAL000000000929	0	32	-1.0	-44.33	297.01	4.34	-39.99
CCCC(NC(=O)C1=CC=C(F)C=C1Br)C1=N[N-]N=N1	REAL000000000929	1	32	-1.0	-44.32	296.95	4.34	-39.98
CCCC(NC(=O)C1=CC=C(F)C=C1Br)C1=NNN=N1	REAL000000000929	1	33	0.0	-10.91	300.39	4.35	-6.56
CCCC(NC(=O)C1=CC=C2C(=C1)CCN2S(C)(=O)=O)C1=NN=N[N-]1	REAL000000000930	0	44	-1.0	-54.54	372.56	2.38	-52.16
CCCC(NC(=O)C1=CC=C2C(=C1)CCN2S(C)(=O)=O)C1=N[N-]N=N1	REAL000000000930	1	44	-1.0	-54.54	372.51	2.39	-52.15
CCCC(NC(=O)C1=CC=C2C(=C1)CCN2S(C)(=O)=O)C1=NNN=N1	REAL000000000930	1	45	0.0	-17.62	375.95	2.39	-15.22
CCCC(NC(=O)C1=CC(OC)=C2OCCOC2=C1)C1=NN=N[N-]1	REAL000000000931	0	42	-1.0	-49.15	347.96	2.71	-46.44
CCCC(NC(=O)C1=CC(OC)=C2OCCOC2=C1)C1=N[N-]N=N1	REAL000000000931	1	42	-1.0	-49.16	347.90	2.70	-46.45
CCCC(NC(=O)C1=CC(OC)=C2OCCOC2=C1)C1=NNN=N1	REAL000000000931	1	43	0.0	-14.85	351.34	2.72	-12.13
CCCC(NC(=O)C1=CC=C(OC)C(Br)=C1)C1=NN=N[N-]1	REAL000000000932	0	36	-1.0	-44.95	324.15	3.64	-41.30
CCCC(NC(=O)C1=CC=C(OC)C(Br)=C1)C1=N[N-]N=N1	REAL000000000932	1	36	-1.0	-44.95	324.09	3.64	-41.30
CCCC(NC(=O)C1=CC=C(OC)C(Br)=C1)C1=NNN=N1	REAL000000000932	1	37	0.0	-13.36	327.53	3.65	-9.71
CCCC(NC(=O)C1=CC=C2C(=C1)CC(C)N2S(C)(=O)=O)C1=NN=N[N-]1	REAL000000000933	0	47	-1.0	-53.94	388.16	3.20	-50.74
CCCC(NC(=O)C1=CC=C2C(=C1)CC(C)N2S(C)(=O)=O)C1=N[N-]N=N1	REAL000000000933	1	47	-1.0	-53.94	388.10	3.20	-50.74
CCCC(NC(=O)C1=CC=C2C(=C1)CC(C)N2S(C)(=O)=O)C1=NNN=N1	REAL000000000933	1	48	0.0	-16.91	391.52	3.21	-13.70
CCCC(NC(=O)CC1=CC2=C(C=C1Br)OCCO2)C1=NN=N[N-]1	REAL000000000934	0	41	-1.0	-49.70	361.16	3.96	-45.75
CCCC(NC(=O)CC1=CC2=C(C=C1Br)OCCO2)C1=N[N-]N=N1	REAL000000000934	1	41	-1.0	-49.71	361.11	3.95	-45.76
CCCC(NC(=O)CC1=CC2=C(C=C1Br)OCCO2)C1=NNN=N1	REAL000000000934	1	42	0.0	-13.37	364.54	3.97	-9.40
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2F)N=C1)C1=NN=N[N-]1	REAL000000000935	0	42	-1.0	-49.93	358.64	5.39	-44.53
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2F)N=C1)C1=N[N-]N=N1	REAL000000000935	1	42	-1.0	-49.92	358.58	5.40	-44.52
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2F)N=C1)C1=NNN=N1	REAL000000000935	1	43	0.0	-15.20	361.89	5.40	-9.80
CCCC(NC(=O)CN(C)C1=NS(=O)(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000000936	0	44	-1.0	-73.25	377.10	1.74	-71.51
CCCC(NC(=O)CN(C)C1=NS(=O)(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000000936	1	44	-1.0	-73.23	377.05	1.73	-71.50
CCCC(NC(=O)CN(C)C1=NS(=O)(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000000936	1	45	0.0	-26.67	380.49	1.75	-24.92
CCCC(NC(=O)C=CC1=C(Cl)C2=CC=CC=C2S1)C1=NN=N[N-]1	REAL000000000937	0	39	-1.0	-47.65	360.78	6.76	-40.89
CCCC(NC(=O)C=CC1=C(Cl)C2=CC=CC=C2S1)C1=N[N-]N=N1	REAL000000000937	1	39	-1.0	-47.65	360.72	6.76	-40.89
CCCC(NC(=O)C=CC1=C(Cl)C2=CC=CC=C2S1)C1=NNN=N1	REAL000000000937	1	40	0.0	-11.65	364.16	6.77	-4.88
CCCC(NC(=O)CN1C=C(C(=O)OC)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000000938	0	45	-1.0	-53.10	387.30	6.41	-46.69
CCCC(NC(=O)CN1C=C(C(=O)OC)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000000938	1	45	-1.0	-53.10	387.24	6.40	-46.70
CCCC(NC(=O)CN1C=C(C(=O)OC)C2=CC=CC=C21)C1=NNN=N1	REAL000000000938	1	46	0.0	-19.00	383.49	6.09	-12.91
CCCC(NC(=O)CCN1C(=O)COC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000000939	0	44	-1.0	-51.27	366.50	3.56	-47.71
CCCC(NC(=O)CCN1C(=O)COC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000000939	1	44	-1.0	-51.27	366.44	3.56	-47.70
CCCC(NC(=O)CCN1C(=O)COC2=CC=CC=C21)C1=NNN=N1	REAL000000000939	1	45	0.0	-13.00	369.87	3.57	-9.43
CCCC(NC(=O)C1=CC=CC(N2C=CC=C2)=C1)C1=NN=N[N-]1	REAL000000000940	0	40	-1.0	-49.68	335.21	6.44	-43.24
CCCC(NC(=O)C1=CC=CC(N2C=CC=C2)=C1)C1=N[N-]N=N1	REAL000000000940	1	40	-1.0	-49.67	335.15	6.44	-43.23
CCCC(NC(=O)C1=CC=CC(N2C=CC=C2)=C1)C1=NNN=N1	REAL000000000940	1	41	0.0	-10.30	331.40	6.12	-4.19
CCCC(NC(=O)C1=CC=CC(CS(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000000941	0	41	-1.0	-62.38	359.38	1.84	-60.54
CCCC(NC(=O)C1=CC=CC(CS(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000000941	1	41	-1.0	-62.39	359.32	1.85	-60.55
CCCC(NC(=O)C1=CC=CC(CS(C)(=O)=O)=C1)C1=NNN=N1	REAL000000000941	1	42	0.0	-19.39	355.57	1.53	-17.86
CCCC(NC(=O)C1=CC=C(CN2N=C(C)C([N+](=O)[O-])=C2C)C=C1)C1=NN=N[N-]1	REAL000000000942	0	50	-1.0	-51.44	426.70	6.98	-44.46
CCCC(NC(=O)C1=CC=C(CN2N=C(C)C([N+](=O)[O-])=C2C)C=C1)C1=N[N-]N=N1	REAL000000000942	1	50	-1.0	-51.44	426.64	6.98	-44.46
CCCC(NC(=O)C1=CC=C(CN2N=C(C)C([N+](=O)[O-])=C2C)C=C1)C1=NNN=N1	REAL000000000942	1	51	0.0	-16.90	430.08	6.99	-9.91
CCCC(NC(=O)COC1=CC=C(C2SCCCS2)C=C1)C1=NN=N[N-]1	REAL000000000943	0	48	-1.0	-49.96	412.57	7.77	-42.19
CCCC(NC(=O)COC1=CC=C(C2SCCCS2)C=C1)C1=N[N-]N=N1	REAL000000000943	1	48	-1.0	-49.96	412.51	7.77	-42.19
CCCC(NC(=O)COC1=CC=C(C2SCCCS2)C=C1)C1=NNN=N1	REAL000000000943	1	49	0.0	-14.96	415.94	7.79	-7.18
CCCC(NC(=O)C1=CC=C2C(=C1)CCCN2S(C)(=O)=O)C1=NN=N[N-]1	REAL000000000944	0	47	-1.0	-55.11	384.24	2.98	-52.13
CCCC(NC(=O)C1=CC=C2C(=C1)CCCN2S(C)(=O)=O)C1=N[N-]N=N1	REAL000000000944	1	47	-1.0	-55.11	384.18	2.97	-52.14
CCCC(NC(=O)C1=CC=C2C(=C1)CCCN2S(C)(=O)=O)C1=NNN=N1	REAL000000000944	1	48	0.0	-17.59	387.61	2.99	-14.60
CCCC(NC(=O)C1=CC=C(OC)C(S(=O)(=O)NC2CC2)=C1)C1=NN=N[N-]1	REAL000000000945	0	48	-1.0	-56.14	411.49	1.31	-54.83
CCCC(NC(=O)C1=CC=C(OC)C(S(=O)(=O)NC2CC2)=C1)C1=N[N-]N=N1	REAL000000000945	1	48	-1.0	-56.14	411.43	1.31	-54.83
CCCC(NC(=O)C1=CC=C(OC)C(S(=O)(=O)NC2CC2)=C1)C1=NNN=N1	REAL000000000945	1	49	0.0	-16.45	407.68	0.99	-15.46
CCCC(NC(=O)C1=CC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL000000000946	0	35	-1.0	-46.71	313.45	5.05	-41.66
CCCC(NC(=O)C1=CC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL000000000946	1	35	-1.0	-46.71	313.39	5.04	-41.66
CCCC(NC(=O)C1=CC2=CC=CC=C2S1)C1=NNN=N1	REAL000000000946	1	36	0.0	-10.37	316.83	5.06	-5.31
CCCC(NC(=O)CC1=CC=C(NC(C)=O)C=C1)C1=NN=N[N-]1	REAL000000000947	0	42	-1.0	-54.60	355.34	3.22	-51.38
CCCC(NC(=O)CC1=CC=C(NC(C)=O)C=C1)C1=N[N-]N=N1	REAL000000000947	1	42	-1.0	-54.60	355.28	3.21	-51.39
CCCC(NC(=O)CC1=CC=C(NC(C)=O)C=C1)C1=NNN=N1	REAL000000000947	1	43	0.0	-15.01	351.54	2.89	-12.12
CCCC(NC(=O)C1=CC=C(CNC(C)=O)C=C1)C1=NN=N[N-]1	REAL000000000948	0	42	-1.0	-49.39	356.24	2.65	-46.74
CCCC(NC(=O)C1=CC=C(CNC(C)=O)C=C1)C1=N[N-]N=N1	REAL000000000948	1	42	-1.0	-49.38	356.19	2.64	-46.74
CCCC(NC(=O)C1=CC=C(CNC(C)=O)C=C1)C1=NNN=N1	REAL000000000948	1	43	0.0	-12.64	352.73	2.32	-10.32
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=CS1)C1=NN=N[N-]1	REAL000000000949	0	39	-1.0	-47.43	342.37	6.13	-41.30
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=CS1)C1=N[N-]N=N1	REAL000000000949	1	39	-1.0	-47.43	342.31	6.14	-41.30
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=CS1)C1=NNN=N1	REAL000000000949	1	40	0.0	-8.46	338.55	5.81	-2.65
CCCC(NC(=O)C1CCN(C(=O)C2=CC=C(F)C=C2F)CC1)C1=NN=N[N-]1	REAL000000000950	0	49	-1.0	-55.50	401.26	5.57	-49.94
CCCC(NC(=O)C1CCN(C(=O)C2=CC=C(F)C=C2F)CC1)C1=N[N-]N=N1	REAL000000000950	1	49	-1.0	-55.50	401.20	5.56	-49.94
CCCC(NC(=O)C1CCN(C(=O)C2=CC=C(F)C=C2F)CC1)C1=NNN=N1	REAL000000000950	1	50	0.0	-19.09	404.55	5.56	-13.53
CCCC(NC(=O)CCCNC(=O)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL000000000951	0	45	-1.0	-50.04	387.90	3.73	-46.32
CCCC(NC(=O)CCCNC(=O)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL000000000951	1	45	-1.0	-50.03	387.84	3.73	-46.31
CCCC(NC(=O)CCCNC(=O)C1=CC=C(F)C=C1F)C1=NNN=N1	REAL000000000951	1	46	0.0	-17.60	391.28	3.73	-13.86
CCCC(NC(=O)C1=CC=C(N2C=NN=N2)C=C1)C1=NN=N[N-]1	REAL000000000952	0	37	-1.0	-51.91	322.50	3.83	-48.09
CCCC(NC(=O)C1=CC=C(N2C=NN=N2)C=C1)C1=N[N-]N=N1	REAL000000000952	1	37	-1.0	-51.91	322.44	3.82	-48.10
CCCC(NC(=O)C1=CC=C(N2C=NN=N2)C=C1)C1=NNN=N1	REAL000000000952	1	38	0.0	-19.81	325.88	3.83	-15.98
CCCC(NC(=O)CCC1=CC=CC=C1OCC)C1=NN=N[N-]1	REAL000000000953	0	45	-1.0	-46.87	370.56	5.43	-41.45
CCCC(NC(=O)CCC1=CC=CC=C1OCC)C1=N[N-]N=N1	REAL000000000953	1	45	-1.0	-46.87	370.50	5.43	-41.44
CCCC(NC(=O)CCC1=CC=CC=C1OCC)C1=NNN=N1	REAL000000000953	1	46	0.0	-11.67	373.92	5.44	-6.23
CCCC(NC(=O)C1=CC=CC(NC(=O)C2=CC=CS2)=C1)C1=NN=N[N-]1	REAL000000000954	0	43	-1.0	-62.09	378.56	4.65	-57.44
CCCC(NC(=O)C1=CC=CC(NC(=O)C2=CC=CS2)=C1)C1=N[N-]N=N1	REAL000000000954	1	43	-1.0	-62.10	378.50	4.66	-57.44
CCCC(NC(=O)C1=CC=CC(NC(=O)C2=CC=CS2)=C1)C1=NNN=N1	REAL000000000954	1	44	0.0	-20.95	381.93	4.66	-16.29
CCCC(NC(=O)CCN1C(C)=CSC1=O)C1=NN=N[N-]1	REAL000000000955	0	38	-1.0	-52.99	332.83	2.84	-50.15
CCCC(NC(=O)CCN1C(C)=CSC1=O)C1=N[N-]N=N1	REAL000000000955	1	38	-1.0	-52.98	332.77	2.83	-50.15
CCCC(NC(=O)CCN1C(C)=CSC1=O)C1=NNN=N1	REAL000000000955	1	39	0.0	-13.11	328.98	2.52	-10.59
CCCC(NC(=O)COC1=CC=C(C(C)C)C=C1)C1=NN=N[N-]1	REAL000000000956	0	45	-1.0	-48.69	368.09	6.15	-42.55
CCCC(NC(=O)COC1=CC=C(C(C)C)C=C1)C1=N[N-]N=N1	REAL000000000956	1	45	-1.0	-48.69	368.04	6.14	-42.56
CCCC(NC(=O)COC1=CC=C(C(C)C)C=C1)C1=NNN=N1	REAL000000000956	1	46	0.0	-13.75	371.47	6.16	-7.59
CCCC(NC(=O)C1=CC=C(CN2C(=O)CCC2=O)C=C1)C1=NN=N[N-]1	REAL000000000957	0	45	-1.0	-52.49	382.49	4.80	-47.69
CCCC(NC(=O)C1=CC=C(CN2C(=O)CCC2=O)C=C1)C1=N[N-]N=N1	REAL000000000957	1	45	-1.0	-52.49	382.43	4.79	-47.70
CCCC(NC(=O)C1=CC=C(CN2C(=O)CCC2=O)C=C1)C1=NNN=N1	REAL000000000957	1	46	0.0	-13.52	378.69	4.47	-9.05
CCCC(NC(=O)C1=CC=C(CN2C(=O)CNC2=O)C=C1)C1=NN=N[N-]1	REAL000000000958	0	44	-1.0	-53.25	377.16	2.26	-50.99
CCCC(NC(=O)C1=CC=C(CN2C(=O)CNC2=O)C=C1)C1=N[N-]N=N1	REAL000000000958	1	44	-1.0	-53.25	377.11	2.25	-51.00
CCCC(NC(=O)C1=CC=C(CN2C(=O)CNC2=O)C=C1)C1=NNN=N1	REAL000000000958	1	45	0.0	-14.23	373.35	1.94	-12.30
CCCC(NC(=O)C1=CC=CC(NC(=O)C2CC2)=C1)C1=NN=N[N-]1	REAL000000000959	0	43	-1.0	-61.85	361.54	4.14	-57.71
CCCC(NC(=O)C1=CC=CC(NC(=O)C2CC2)=C1)C1=N[N-]N=N1	REAL000000000959	1	43	-1.0	-61.85	361.48	4.14	-57.71
CCCC(NC(=O)C1=CC=CC(NC(=O)C2CC2)=C1)C1=NNN=N1	REAL000000000959	1	44	0.0	-16.87	357.73	3.82	-13.05
CCCC(NC(=O)CCC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000000960	0	50	-1.0	-44.99	396.58	7.46	-37.53
CCCC(NC(=O)CCC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000000960	1	50	-1.0	-44.99	396.52	7.46	-37.54
CCCC(NC(=O)CCC1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000000960	1	51	0.0	-9.79	399.95	7.47	-2.32
CCCC(NC(=O)CCCN1C(=O)OC2=CC([N+](=O)[O-])=CC=C21)C1=NN=N[N-]1	REAL000000000961	0	46	-1.0	-52.64	403.14	6.10	-46.54
CCCC(NC(=O)CCCN1C(=O)OC2=CC([N+](=O)[O-])=CC=C21)C1=N[N-]N=N1	REAL000000000961	1	46	-1.0	-52.63	403.08	6.10	-46.54
CCCC(NC(=O)CCCN1C(=O)OC2=CC([N+](=O)[O-])=CC=C21)C1=NNN=N1	REAL000000000961	1	47	0.0	-23.61	406.52	6.11	-17.50
CCCC(NC(=O)C=CC1=CC2=C(C=C1)N(CC)C1=C2C=CC=C1)C1=NN=N[N-]1	REAL000000000962	0	52	-1.0	-50.74	430.24	9.57	-41.17
CCCC(NC(=O)C=CC1=CC2=C(C=C1)N(CC)C1=C2C=CC=C1)C1=N[N-]N=N1	REAL000000000962	1	52	-1.0	-50.74	430.18	9.57	-41.17
CCCC(NC(=O)C=CC1=CC2=C(C=C1)N(CC)C1=C2C=CC=C1)C1=NNN=N1	REAL000000000962	1	53	0.0	-14.77	433.62	9.58	-5.19
CCCC(NC(=O)C=CC1=C(Cl)N(CC(C)C)N=C1C)C1=NN=N[N-]1	REAL000000000963	0	48	-1.0	-45.53	407.39	5.65	-39.88
CCCC(NC(=O)C=CC1=C(Cl)N(CC(C)C)N=C1C)C1=N[N-]N=N1	REAL000000000963	1	48	-1.0	-45.52	407.34	5.65	-39.87
CCCC(NC(=O)C=CC1=C(Cl)N(CC(C)C)N=C1C)C1=NNN=N1	REAL000000000963	1	49	0.0	-10.67	415.52	6.08	-4.59
CCCC(NC(=O)C=CC1=CC(C)=CC=C1OC)C1=NN=N[N-]1	REAL000000000964	0	43	-1.0	-50.31	358.64	4.89	-45.42
CCCC(NC(=O)C=CC1=CC(C)=CC=C1OC)C1=N[N-]N=N1	REAL000000000964	1	43	-1.0	-50.31	358.58	4.89	-45.41
CCCC(NC(=O)C=CC1=CC(C)=CC=C1OC)C1=NNN=N1	REAL000000000964	1	44	0.0	-13.38	362.02	4.90	-8.48
CCCC(NC(=O)CN1C=CC(=O)N(C)C1=O)C1=NN=N[N-]1	REAL000000000965	0	38	-1.0	-59.37	326.98	2.37	-57.00
CCCC(NC(=O)CN1C=CC(=O)N(C)C1=O)C1=N[N-]N=N1	REAL000000000965	1	38	-1.0	-59.37	326.93	2.37	-57.00
CCCC(NC(=O)CN1C=CC(=O)N(C)C1=O)C1=NNN=N1	REAL000000000965	1	39	0.0	-23.92	330.08	2.39	-21.54
CCCC(NC(=O)C1=CC=CC(N2CCCC2=O)=C1)C1=NN=N[N-]1	REAL000000000966	0	43	-1.0	-63.50	351.65	4.77	-58.72
CCCC(NC(=O)C1=CC=CC(N2CCCC2=O)=C1)C1=N[N-]N=N1	REAL000000000966	1	43	-1.0	-63.50	351.59	4.77	-58.73
CCCC(NC(=O)C1=CC=CC(N2CCCC2=O)=C1)C1=NNN=N1	REAL000000000966	1	44	0.0	-23.38	355.53	4.80	-18.58
CCCC(NC(=O)CSC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL000000000967	0	36	-1.0	-44.91	330.20	4.92	-39.99
CCCC(NC(=O)CSC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL000000000967	1	36	-1.0	-44.91	330.14	4.92	-39.98
CCCC(NC(=O)CSC1=CC=C(F)C(F)=C1)C1=NNN=N1	REAL000000000967	1	37	0.0	-12.47	333.57	4.93	-7.54
CCCC(NC(=O)CCC1=C(C)N=C(SC)N=C1C)C1=NN=N[N-]1	REAL000000000968	0	46	-1.0	-45.36	387.98	4.65	-40.71
CCCC(NC(=O)CCC1=C(C)N=C(SC)N=C1C)C1=N[N-]N=N1	REAL000000000968	1	46	-1.0	-45.35	387.92	4.64	-40.71
CCCC(NC(=O)CCC1=C(C)N=C(SC)N=C1C)C1=NNN=N1	REAL000000000968	1	47	0.0	-13.60	391.36	4.66	-8.95
CCCC(NC(=O)C1=CC=CC(NC(N)=O)=C1)C1=NN=N[N-]1	REAL000000000969	0	38	-1.0	-62.34	323.65	-0.27	-62.62
CCCC(NC(=O)C1=CC=CC(NC(N)=O)=C1)C1=N[N-]N=N1	REAL000000000969	1	38	-1.0	-62.35	323.60	-0.27	-62.62
CCCC(NC(=O)C1=CC=CC(NC(N)=O)=C1)C1=NNN=N1	REAL000000000969	1	39	0.0	-18.15	319.56	-0.56	-18.71
CCCC(NC(=O)CCCOC1=CC=CC=C1OCC)C1=NN=N[N-]1	REAL000000000970	0	49	-1.0	-53.00	401.45	5.58	-47.42
CCCC(NC(=O)CCCOC1=CC=CC=C1OCC)C1=N[N-]N=N1	REAL000000000970	1	49	-1.0	-52.99	401.39	5.57	-47.43
CCCC(NC(=O)CCCOC1=CC=CC=C1OCC)C1=NNN=N1	REAL000000000970	1	50	0.0	-17.02	404.82	5.58	-11.43
CCCC(NC(=O)CC1=C(C)N(C2=CC=C(Cl)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000000971	0	49	-1.0	-48.94	421.66	8.79	-40.14
CCCC(NC(=O)CC1=C(C)N(C2=CC=C(Cl)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000000971	1	49	-1.0	-48.94	421.61	8.79	-40.15
CCCC(NC(=O)CC1=C(C)N(C2=CC=C(Cl)C=C2)C(C)=C1)C1=NNN=N1	REAL000000000971	1	50	0.0	-12.61	425.58	8.82	-3.79
CCCC(NC(=O)CCCCC1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL000000000972	0	46	-1.0	-48.82	395.04	6.12	-42.70
CCCC(NC(=O)CCCCC1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL000000000972	1	46	-1.0	-48.82	394.98	6.11	-42.71
CCCC(NC(=O)CCCCC1=NC2=CC=CC=C2S1)C1=NNN=N1	REAL000000000972	1	47	0.0	-14.59	398.42	6.12	-8.47
CCCC(NC(=O)C1=CC=C(CNC(N)=O)C=C1)C1=NN=N[N-]1	REAL000000000973	0	41	-1.0	-50.21	349.46	-0.14	-50.35
CCCC(NC(=O)C1=CC=C(CNC(N)=O)C=C1)C1=N[N-]N=N1	REAL000000000973	1	41	-1.0	-50.21	349.41	-0.15	-50.36
CCCC(NC(=O)C1=CC=C(CNC(N)=O)C=C1)C1=NNN=N1	REAL000000000973	1	42	0.0	-13.40	345.65	-0.46	-13.86
CCCC(NC(=O)CC1OC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL000000000974	0	41	-1.0	-50.22	347.30	2.39	-47.83
CCCC(NC(=O)CC1OC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL000000000974	1	41	-1.0	-50.22	347.25	2.38	-47.84
CCCC(NC(=O)CC1OC2=CC=CC=C2NC1=O)C1=NNN=N1	REAL000000000974	1	42	0.0	-11.46	343.52	1.98	-9.47
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL000000000975	0	44	-1.0	-47.03	360.20	6.06	-40.97
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL000000000975	1	44	-1.0	-47.03	360.14	6.05	-40.98
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C2CC2)=C1)C1=NNN=N1	REAL000000000975	1	45	0.0	-12.45	363.57	6.07	-6.38
CCCC(NC(=O)CCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000000976	0	45	-1.0	-50.76	365.48	1.08	-49.67
CCCC(NC(=O)CCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000000976	1	45	-1.0	-50.76	365.43	1.08	-49.68
CCCC(NC(=O)CCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000000976	1	46	0.0	-12.98	361.69	0.76	-12.21
CCCC(NC(=O)C1=CC=C(N2N=CC=C2C)C=C1)C1=NN=N[N-]1	REAL000000000977	0	42	-1.0	-49.87	351.57	5.26	-44.61
CCCC(NC(=O)C1=CC=C(N2N=CC=C2C)C=C1)C1=N[N-]N=N1	REAL000000000977	1	42	-1.0	-49.86	351.51	5.26	-44.61
CCCC(NC(=O)C1=CC=C(N2N=CC=C2C)C=C1)C1=NNN=N1	REAL000000000977	1	43	0.0	-15.28	354.95	5.26	-10.02
CCCC(NC(=O)CC1CCS(=O)(=O)C1)C1=NN=N[N-]1	REAL000000000978	0	38	-1.0	-50.98	321.27	-0.02	-51.00
CCCC(NC(=O)CC1CCS(=O)(=O)C1)C1=N[N-]N=N1	REAL000000000978	1	38	-1.0	-50.98	321.21	-0.03	-51.01
CCCC(NC(=O)CC1CCS(=O)(=O)C1)C1=NNN=N1	REAL000000000978	1	39	0.0	-18.21	324.13	-0.02	-18.24
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000000979	0	49	-1.0	-51.27	396.31	3.91	-47.36
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000000979	1	49	-1.0	-51.27	396.25	3.91	-47.36
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1)C1=NNN=N1	REAL000000000979	1	50	0.0	-11.57	392.51	3.58	-7.99
CCCC(NC(=O)CCCCC1CCSS1)C1=NN=N[N-]1	REAL000000000980	0	43	-1.0	-49.00	367.59	6.90	-42.10
CCCC(NC(=O)CCCCC1CCSS1)C1=N[N-]N=N1	REAL000000000980	1	43	-1.0	-49.00	367.53	6.89	-42.11
CCCC(NC(=O)CCCCC1CCSS1)C1=NNN=N1	REAL000000000980	1	44	0.0	-10.69	363.80	6.58	-4.11
CCCC(NC(=O)CC1=CC=C(CC(C)C)C=C1)C1=NN=N[N-]1	REAL000000000981	0	47	-1.0	-46.32	380.12	7.00	-39.32
CCCC(NC(=O)CC1=CC=C(CC(C)C)C=C1)C1=N[N-]N=N1	REAL000000000981	1	47	-1.0	-46.32	380.07	6.99	-39.33
CCCC(NC(=O)CC1=CC=C(CC(C)C)C=C1)C1=NNN=N1	REAL000000000981	1	48	0.0	-8.17	376.32	6.67	-1.50
CCCC(NC(=O)C1=CC=C(Cl)C(N2CCCC2=O)=C1)C1=NN=N[N-]1	REAL000000000982	0	43	-1.0	-51.39	376.16	5.81	-45.57
CCCC(NC(=O)C1=CC=C(Cl)C(N2CCCC2=O)=C1)C1=N[N-]N=N1	REAL000000000982	1	43	-1.0	-51.38	376.10	5.81	-45.57
CCCC(NC(=O)C1=CC=C(Cl)C(N2CCCC2=O)=C1)C1=NNN=N1	REAL000000000982	1	44	0.0	-17.71	379.52	5.82	-11.89
CCCC(NC(=O)C1=CC=CC(NC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000000983	0	49	-1.0	-58.19	396.44	3.90	-54.28
CCCC(NC(=O)C1=CC=CC(NC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000000983	1	49	-1.0	-58.18	396.38	3.89	-54.29
CCCC(NC(=O)C1=CC=CC(NC(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000000983	1	50	0.0	-18.29	399.81	3.91	-14.38
CCCC(NC(=O)CC1=CC=C(OC)C(F)=C1)C1=NN=N[N-]1	REAL000000000984	0	39	-1.0	-47.37	334.71	3.71	-43.66
CCCC(NC(=O)CC1=CC=C(OC)C(F)=C1)C1=N[N-]N=N1	REAL000000000984	1	39	-1.0	-47.38	334.65	3.70	-43.68
CCCC(NC(=O)CC1=CC=C(OC)C(F)=C1)C1=NNN=N1	REAL000000000984	1	40	0.0	-14.94	338.09	3.72	-11.22
CCCC(NC(=O)C=CC1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL000000000985	0	40	-1.0	-51.63	343.36	1.63	-49.99
CCCC(NC(=O)C=CC1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL000000000985	1	40	-1.0	-51.63	343.30	1.62	-50.01
CCCC(NC(=O)C=CC1=CC=C(C(N)=O)C=C1)C1=NNN=N1	REAL000000000985	1	41	0.0	-18.03	346.74	1.64	-16.39
CCCC(NC(=O)COC1=C2C=CC=CC2=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000000986	0	42	-1.0	-49.01	367.29	6.93	-42.08
CCCC(NC(=O)COC1=C2C=CC=CC2=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000000986	1	42	-1.0	-49.00	367.23	6.92	-42.09
CCCC(NC(=O)COC1=C2C=CC=CC2=C(Cl)C=C1)C1=NNN=N1	REAL000000000986	1	43	0.0	-14.89	370.67	6.94	-7.95
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC)C=C1)C1=NN=N[N-]1	REAL000000000987	0	40	-1.0	-50.59	350.90	-0.16	-50.75
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC)C=C1)C1=N[N-]N=N1	REAL000000000987	1	40	-1.0	-50.60	350.84	-0.17	-50.77
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC)C=C1)C1=NNN=N1	REAL000000000987	1	41	0.0	-16.70	354.29	-0.15	-16.85
CCCC(NC(=O)CCC1=NC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL000000000988	0	43	-1.0	-46.07	371.28	3.78	-42.29
CCCC(NC(=O)CCC1=NC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL000000000988	1	43	-1.0	-46.07	371.22	3.78	-42.29
CCCC(NC(=O)CCC1=NC(C2=CC=CC=C2)=NO1)C1=NNN=N1	REAL000000000988	1	44	0.0	-13.44	374.65	3.79	-9.65
CCCC(NC(=O)CC1=CC(C)=CC=C1OC)C1=NN=N[N-]1	REAL000000000989	0	42	-1.0	-47.83	348.69	4.36	-43.47
CCCC(NC(=O)CC1=CC(C)=CC=C1OC)C1=N[N-]N=N1	REAL000000000989	1	42	-1.0	-47.83	348.64	4.36	-43.47
CCCC(NC(=O)CC1=CC(C)=CC=C1OC)C1=NNN=N1	REAL000000000989	1	43	0.0	-12.82	352.08	4.37	-8.45
CCCC(NC(=O)CSC1CCS(=O)(=O)C1)C1=NN=N[N-]1	REAL000000000990	0	39	-1.0	-55.14	346.95	0.64	-54.50
CCCC(NC(=O)CSC1CCS(=O)(=O)C1)C1=N[N-]N=N1	REAL000000000990	1	39	-1.0	-55.14	346.89	0.63	-54.51
CCCC(NC(=O)CSC1CCS(=O)(=O)C1)C1=NNN=N1	REAL000000000990	1	40	0.0	-18.46	343.14	0.32	-18.14
CCCC(NC(=O)C1=NC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL000000000991	0	31	-1.0	-45.46	300.99	2.86	-42.60
CCCC(NC(=O)C1=NC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL000000000991	1	31	-1.0	-45.46	300.93	2.86	-42.60
CCCC(NC(=O)C1=NC(Cl)=CC=C1Cl)C1=NNN=N1	REAL000000000991	1	32	0.0	-9.57	304.36	2.87	-6.70
CCCC(NC(=O)C1=CC(Cl)=NC(Cl)=C1)C1=NN=N[N-]1	REAL000000000992	0	31	-1.0	-40.60	303.29	2.73	-37.87
CCCC(NC(=O)C1=CC(Cl)=NC(Cl)=C1)C1=N[N-]N=N1	REAL000000000992	1	31	-1.0	-40.60	303.23	2.74	-37.86
CCCC(NC(=O)C1=CC(Cl)=NC(Cl)=C1)C1=NNN=N1	REAL000000000992	1	32	0.0	-7.12	299.48	2.41	-4.72
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL000000000993	0	41	-1.0	-45.85	358.23	5.16	-40.69
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL000000000993	1	41	-1.0	-45.85	358.17	5.15	-40.70
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC=C2)S1)C1=NNN=N1	REAL000000000993	1	42	0.0	-11.21	361.61	5.17	-6.03
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CS2)S1)C1=NN=N[N-]1	REAL000000000994	0	38	-1.0	-45.43	350.60	4.27	-41.15
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CS2)S1)C1=N[N-]N=N1	REAL000000000994	1	38	-1.0	-45.42	350.54	4.27	-41.15
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CS2)S1)C1=NNN=N1	REAL000000000994	1	39	0.0	-10.23	353.97	4.28	-5.95
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(F)C=C2)S1)C1=NN=N[N-]1	REAL000000000995	0	41	-1.0	-44.33	364.63	5.23	-39.09
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(F)C=C2)S1)C1=N[N-]N=N1	REAL000000000995	1	41	-1.0	-44.33	364.57	5.22	-39.11
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(F)C=C2)S1)C1=NNN=N1	REAL000000000995	1	42	0.0	-10.69	368.01	5.24	-5.45
CCCC(NC(=O)C1=CC=C(OCC(N)=O)C=C1)C1=NN=N[N-]1	REAL000000000996	0	40	-1.0	-55.95	342.34	1.08	-54.88
CCCC(NC(=O)C1=CC=C(OCC(N)=O)C=C1)C1=N[N-]N=N1	REAL000000000996	1	40	-1.0	-55.95	342.28	1.08	-54.87
CCCC(NC(=O)C1=CC=C(OCC(N)=O)C=C1)C1=NNN=N1	REAL000000000996	1	41	0.0	-21.60	345.72	1.09	-20.51
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)N=C1C)C1=NN=N[N-]1	REAL000000000997	0	41	-1.0	-45.68	351.52	3.86	-41.82
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)N=C1C)C1=N[N-]N=N1	REAL000000000997	1	41	-1.0	-45.67	351.46	3.85	-41.82
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)N=C1C)C1=NNN=N1	REAL000000000997	1	42	0.0	-9.12	347.72	3.54	-5.58
CCCC(NC(=O)C1CC(=O)N(C2=CC(Cl)=CC=C2OC)C1)C1=NN=N[N-]1	REAL000000000998	0	47	-1.0	-48.10	407.67	4.78	-43.32
CCCC(NC(=O)C1CC(=O)N(C2=CC(Cl)=CC=C2OC)C1)C1=N[N-]N=N1	REAL000000000998	1	47	-1.0	-48.10	407.62	4.78	-43.32
CCCC(NC(=O)C1CC(=O)N(C2=CC(Cl)=CC=C2OC)C1)C1=NNN=N1	REAL000000000998	1	48	0.0	-17.27	411.05	4.79	-12.48
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2Cl)C1)C1=NN=N[N-]1	REAL000000000999	0	43	-1.0	-47.12	377.67	5.64	-41.48
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2Cl)C1)C1=N[N-]N=N1	REAL000000000999	1	43	-1.0	-47.12	377.62	5.64	-41.48
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2Cl)C1)C1=NNN=N1	REAL000000000999	1	44	0.0	-17.81	381.01	5.63	-12.19
CCCC(NC(=O)C1=C(C)C2=C(F)C=CC=C2S1)C1=NN=N[N-]1	REAL000000001000	0	38	-1.0	-47.70	331.88	5.67	-42.03
CCCC(NC(=O)C1=C(C)C2=C(F)C=CC=C2S1)C1=N[N-]N=N1	REAL000000001000	1	38	-1.0	-47.70	331.83	5.67	-42.03
CCCC(NC(=O)C1=C(C)C2=C(F)C=CC=C2S1)C1=NNN=N1	REAL000000001000	1	39	0.0	-11.23	335.27	5.68	-5.55
CCCC(NC(=O)C1=CC(F)=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL000000001001	0	32	-1.0	-41.68	309.44	4.73	-36.95
CCCC(NC(=O)C1=CC(F)=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL000000001001	1	32	-1.0	-41.68	309.38	4.74	-36.94
CCCC(NC(=O)C1=CC(F)=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000001001	1	33	0.0	-9.13	312.81	4.74	-4.39
CCCC(NC(=O)C1=C(COC)C2=C(F)C=CC=C2S1)C1=NN=N[N-]1	REAL000000001002	0	42	-1.0	-49.65	365.55	4.72	-44.93
CCCC(NC(=O)C1=C(COC)C2=C(F)C=CC=C2S1)C1=N[N-]N=N1	REAL000000001002	1	42	-1.0	-49.65	365.49	4.71	-44.94
CCCC(NC(=O)C1=C(COC)C2=C(F)C=CC=C2S1)C1=NNN=N1	REAL000000001002	1	43	0.0	-10.53	361.73	4.41	-6.12
CCCC(NC(=O)C1=CC2=CC([N+](=O)[O-])=CC=C2S1)C1=NN=N[N-]1	REAL000000001003	0	37	-1.0	-45.43	341.50	5.71	-39.72
CCCC(NC(=O)C1=CC2=CC([N+](=O)[O-])=CC=C2S1)C1=N[N-]N=N1	REAL000000001003	1	37	-1.0	-45.43	341.44	5.71	-39.72
CCCC(NC(=O)C1=CC2=CC([N+](=O)[O-])=CC=C2S1)C1=NNN=N1	REAL000000001003	1	38	0.0	-12.58	344.88	5.72	-6.86
CCCC(NC(=O)C=CC1=C(Cl)N=C2SC=CN21)C1=NN=N[N-]1	REAL000000001004	0	36	-1.0	-49.53	343.70	4.93	-44.59
CCCC(NC(=O)C1=CC2=C(S1)N(C)C1=CC=CC=C12)C1=NN=N[N-]1	REAL000000001005	0	42	-1.0	-49.90	367.48	6.68	-43.22
CCCC(NC(=O)CN1N=C(C2=CC=CC=C2)OC1=O)C1=NN=N[N-]1	REAL000000001006	0	41	-1.0	-52.24	362.45	2.22	-50.02
CCCC(NC(=O)CN1N=C(C2=CC=CC=C2)OC1=O)C1=N[N-]N=N1	REAL000000001006	1	41	-1.0	-52.24	362.39	2.22	-50.02
CCCC(NC(=O)CN1N=C(C2=CC=CC=C2)OC1=O)C1=NNN=N1	REAL000000001006	1	42	0.0	-18.77	365.83	2.23	-16.54
CCCC(NC(=O)C=CC1=CN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL000000001007	0	43	-1.0	-49.90	368.50	6.09	-43.81
CCCC(NC(=O)C=CC1=CN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL000000001007	1	43	-1.0	-49.90	368.44	6.08	-43.82
CCCC(NC(=O)C=CC1=CN(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000001007	1	44	0.0	-14.54	371.88	6.10	-8.44
CCCC(NC(=O)C1=CC=C(C2=CC=C(Cl)C=C2Cl)O1)C1=NN=N[N-]1	REAL000000001008	0	39	-1.0	-42.90	370.23	6.35	-36.55
CCCC(NC(=O)C1=CC=C(C2=CC=C(Cl)C=C2Cl)O1)C1=N[N-]N=N1	REAL000000001008	1	39	-1.0	-42.90	370.17	6.34	-36.56
CCCC(NC(=O)C1=CC=C(C2=CC=C(Cl)C=C2Cl)O1)C1=NNN=N1	REAL000000001008	1	40	0.0	-6.90	366.42	6.03	-0.87
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2Cl)O1)C1=NN=N[N-]1	REAL000000001009	0	39	-1.0	-48.47	354.99	5.94	-42.53
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2Cl)O1)C1=N[N-]N=N1	REAL000000001009	1	39	-1.0	-48.48	354.94	5.94	-42.54
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2Cl)O1)C1=NNN=N1	REAL000000001009	1	40	0.0	-10.83	358.35	5.95	-4.88
CCCC(NC(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C1=NN=N[N-]1	REAL000000001010	0	38	-1.0	-45.91	358.34	4.96	-40.95
CCCC(NC(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C1=N[N-]N=N1	REAL000000001010	1	38	-1.0	-45.92	358.28	4.97	-40.95
CCCC(NC(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C1=NNN=N1	REAL000000001010	1	39	0.0	-9.82	361.71	4.97	-4.85
CCCC(NC(=O)C1=CC(OC)=C(Br)C(OC)=C1)C1=NN=N[N-]1	REAL000000001011	0	40	-1.0	-44.51	352.78	3.00	-41.51
CCCC(NC(=O)C1=CC(OC)=C(Br)C(OC)=C1)C1=N[N-]N=N1	REAL000000001011	1	40	-1.0	-44.51	352.72	2.99	-41.52
CCCC(NC(=O)C1=CC(OC)=C(Br)C(OC)=C1)C1=NNN=N1	REAL000000001011	1	41	0.0	-12.48	356.16	3.00	-9.48
CCCC(NC(=O)C1=C2C=NN(C(C)C)C2=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL000000001012	0	50	-1.0	-47.00	408.72	6.35	-40.65
CCCC(NC(=O)C1=C2C=NN(C(C)C)C2=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL000000001012	1	50	-1.0	-47.00	408.66	6.34	-40.66
CCCC(NC(=O)C1=C2C=NN(C(C)C)C2=NC(C2CC2)=C1)C1=NNN=N1	REAL000000001012	1	51	0.0	-13.65	412.09	6.35	-7.30
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=NN1)C1=NN=N[N-]1	REAL000000001013	0	39	-1.0	-44.81	335.80	3.67	-41.14
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=NN1)C1=N[N-]N=N1	REAL000000001013	1	39	-1.0	-44.81	335.75	3.68	-41.14
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=NN1)C1=NNN=N1	REAL000000001013	1	40	0.0	-9.19	331.98	3.36	-5.82
CCCC(NC(=O)C=CC1=CC(OC)=CC(OC)=C1)C1=NN=N[N-]1	REAL000000001014	0	44	-1.0	-48.18	367.83	3.45	-44.72
CCCC(NC(=O)C=CC1=CC(OC)=CC(OC)=C1)C1=N[N-]N=N1	REAL000000001014	1	44	-1.0	-48.17	367.77	3.46	-44.72
CCCC(NC(=O)C=CC1=CC(OC)=CC(OC)=C1)C1=NNN=N1	REAL000000001014	1	45	0.0	-12.61	371.20	3.46	-9.15
CCCC(NC(=O)C1=CC2=C(CCCCC2)S1)C1=NN=N[N-]1	REAL000000001015	0	42	-1.0	-46.62	347.41	5.88	-40.74
CCCC(NC(=O)C1=CC2=C(CCCCC2)S1)C1=N[N-]N=N1	REAL000000001015	1	42	-1.0	-46.63	347.36	5.88	-40.74
CCCC(NC(=O)C1=CC2=C(CCCCC2)S1)C1=NNN=N1	REAL000000001015	1	43	0.0	-7.02	343.59	5.57	-1.46
CCCC(NC(=O)C1=CC2=C(CCCC2)S1)C1=NN=N[N-]1	REAL000000001016	0	39	-1.0	-46.30	330.11	5.28	-41.01
CCCC(NC(=O)C1=CC2=C(CCCC2)S1)C1=N[N-]N=N1	REAL000000001016	1	39	-1.0	-46.30	330.05	5.29	-41.02
CCCC(NC(=O)C1=CC2=C(CCCC2)S1)C1=NNN=N1	REAL000000001016	1	40	0.0	-9.90	333.49	5.29	-4.61
CCCC(NC(=O)C1=CC=C2C(=O)OC(C3=CC=CC=C3)CC2=C1)C1=NN=N[N-]1	REAL000000001017	0	49	-1.0	-46.40	410.02	8.33	-38.07
CCCC(NC(=O)C1=CC=C2C(=O)OC(C3=CC=CC=C3)CC2=C1)C1=N[N-]N=N1	REAL000000001017	1	49	-1.0	-46.40	409.96	8.32	-38.07
CCCC(NC(=O)C1=CC=C2C(=O)OC(C3=CC=CC=C3)CC2=C1)C1=NNN=N1	REAL000000001017	1	50	0.0	-14.42	413.39	8.34	-6.08
CCCC(NC(=O)C=CC1=C(C)N(C2=CC=C(C)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000001018	0	53	-1.0	-49.35	438.39	9.53	-39.82
CCCC(NC(=O)C=CC1=C(C)N(C2=CC=C(C)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000001018	1	53	-1.0	-49.35	438.34	9.53	-39.82
CCCC(NC(=O)C=CC1=C(C)N(C2=CC=C(C)C=C2)C(C)=C1)C1=NNN=N1	REAL000000001018	1	54	0.0	-12.10	441.75	9.54	-2.56
CCCC(NC(=O)C1=CC=C(C2=CC=C(F)C=C2)S1)C1=NN=N[N-]1	REAL000000001019	0	39	-1.0	-45.90	350.87	6.40	-39.51
CCCC(NC(=O)C1=CC=C(C2=CC=C(F)C=C2)S1)C1=N[N-]N=N1	REAL000000001019	1	39	-1.0	-45.90	350.81	6.40	-39.51
CCCC(NC(=O)C1=CC=C(C2=CC=C(F)C=C2)S1)C1=NNN=N1	REAL000000001019	1	40	0.0	-10.78	354.25	6.41	-4.37
CCCCC1=CC=C(CC(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000001020	0	47	-1.0	-46.42	384.86	7.31	-39.10
CCCCC1=CC=C(CC(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000001020	1	47	-1.0	-46.41	384.81	7.31	-39.09
CCCCC1=CC=C(CC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000001020	1	48	0.0	-11.20	388.24	7.32	-3.87
CCCC(NC(=O)C1=CC=C(N2C=NC=N2)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000001021	0	40	-1.0	-58.13	351.08	7.29	-50.84
CCCC(NC(=O)C1=CC=C(N2C=NC=N2)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000001021	1	40	-1.0	-58.12	351.02	7.28	-50.84
CCCC(NC(=O)C1=CC=C(N2C=NC=N2)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000001021	1	41	0.0	-27.37	354.46	7.30	-20.07
CCCC(NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1=NN=N[N-]1	REAL000000001022	0	40	-1.0	-53.65	346.29	1.03	-52.61
CCCC(NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1=N[N-]N=N1	REAL000000001022	1	40	-1.0	-53.64	346.23	1.03	-52.60
CCCC(NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1=NNN=N1	REAL000000001022	1	41	0.0	-25.25	349.67	1.04	-24.21
CCCC(NC(=O)C=CC1=C(C)N(C2=CC=CC=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000001023	0	50	-1.0	-49.66	413.72	8.76	-40.90
CCCC(NC(=O)C=CC1=C(C)N(C2=CC=CC=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000001023	1	50	-1.0	-49.65	413.66	8.75	-40.91
CCCC(NC(=O)C=CC1=C(C)N(C2=CC=CC=C2)C(C)=C1)C1=NNN=N1	REAL000000001023	1	51	0.0	-12.37	417.09	8.77	-3.60
CCCC(NC(=O)CC12CC3CC(CC(O)(C3)C1)C2)C1=NN=N[N-]1	REAL000000001024	0	50	-1.0	-45.27	364.65	2.87	-42.40
CCCC(NC(=O)CC12CC3CC(CC(O)(C3)C1)C2)C1=N[N-]N=N1	REAL000000001024	1	50	-1.0	-45.27	364.59	2.86	-42.41
CCCC(NC(=O)CC12CC3CC(CC(O)(C3)C1)C2)C1=NNN=N1	REAL000000001024	1	51	0.0	-9.59	368.03	2.88	-6.70
CCCC(NC(=O)C1=CC=C(SC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000001025	0	36	-1.0	-43.16	330.58	5.11	-38.05
CCCC(NC(=O)C1=CC=C(SC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000001025	1	36	-1.0	-43.15	330.52	5.10	-38.04
CCCC(NC(=O)C1=CC=C(SC(F)(F)F)C=C1)C1=NNN=N1	REAL000000001025	1	37	0.0	-6.58	326.76	4.79	-1.79
CCCC(NC(=O)C1=C(C)C2=CC(OC)=CC=C2O1)C1=NN=N[N-]1	REAL000000001026	0	42	-1.0	-46.02	352.90	4.03	-42.00
CCCC(NC(=O)C1=C(C)C2=CC(OC)=CC=C2O1)C1=N[N-]N=N1	REAL000000001026	1	42	-1.0	-46.02	352.85	4.03	-41.99
CCCC(NC(=O)C1=C(C)C2=CC(OC)=CC=C2O1)C1=NNN=N1	REAL000000001026	1	43	0.0	-10.85	356.28	4.04	-6.82
CCCC(NC(=O)C1=C(C)C2=CC(CCC(C)=O)=CC=C2O1)C1=NN=N[N-]1	REAL000000001027	0	49	-1.0	-49.29	410.92	6.85	-42.44
CCCC(NC(=O)C1=C(C)C2=CC(CCC(C)=O)=CC=C2O1)C1=N[N-]N=N1	REAL000000001027	1	49	-1.0	-49.29	410.86	6.84	-42.44
CCCC(NC(=O)C1=C(C)C2=CC(CCC(C)=O)=CC=C2O1)C1=NNN=N1	REAL000000001027	1	50	0.0	-13.46	414.29	6.86	-6.61
CCCC(NC(=O)C1=C(C)C2=CC(Br)=CC=C2O1)C1=NN=N[N-]1	REAL000000001028	0	38	-1.0	-43.18	344.63	5.35	-37.83
CCCC(NC(=O)C1=C(C)C2=CC(Br)=CC=C2O1)C1=N[N-]N=N1	REAL000000001028	1	38	-1.0	-43.18	344.57	5.34	-37.83
CCCC(NC(=O)C1=C(C)C2=CC(Br)=CC=C2O1)C1=NNN=N1	REAL000000001028	1	39	0.0	-6.71	340.83	5.03	-1.69
CCCC(NC(=O)C1=C(C)C2=CC(OCC)=CC=C2O1)C1=NN=N[N-]1	REAL000000001029	0	45	-1.0	-45.79	374.76	4.96	-40.82
CCCC(NC(=O)C1=C(C)C2=CC(OCC)=CC=C2O1)C1=N[N-]N=N1	REAL000000001029	1	45	-1.0	-45.79	374.70	4.95	-40.83
CCCC(NC(=O)C1=C(C)C2=CC(OCC)=CC=C2O1)C1=NNN=N1	REAL000000001029	1	46	0.0	-10.64	378.13	4.97	-5.67
CCCC(NC(=O)C1=C(COC)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL000000001030	0	42	-1.0	-47.65	357.02	3.78	-43.87
CCCC(NC(=O)C1=C(COC)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL000000001030	1	42	-1.0	-47.66	356.96	3.78	-43.88
CCCC(NC(=O)C1=C(COC)C2=CC=CC=C2O1)C1=NNN=N1	REAL000000001030	1	43	0.0	-11.77	360.39	3.79	-7.98
CCCC(NC(=O)C1=C(C)C2=CC(F)=CC=C2O1)C1=NN=N[N-]1	REAL000000001031	0	38	-1.0	-43.54	329.85	4.80	-38.74
CCCC(NC(=O)C1=C(C)C2=CC(F)=CC=C2O1)C1=N[N-]N=N1	REAL000000001031	1	38	-1.0	-43.53	329.79	4.80	-38.74
CCCC(NC(=O)C1=C(C)C2=CC(F)=CC=C2O1)C1=NNN=N1	REAL000000001031	1	39	0.0	-7.18	326.05	4.47	-2.71
CCCC(NC(=O)C1=C(C)C2=CC=CC(F)=C2O1)C1=NN=N[N-]1	REAL000000001032	0	38	-1.0	-47.42	329.78	4.80	-42.62
CCCC(NC(=O)C1=C(C)C2=CC=CC(F)=C2O1)C1=N[N-]N=N1	REAL000000001032	1	38	-1.0	-47.43	329.72	4.80	-42.63
CCCC(NC(=O)C1=C(C)C2=CC=CC(F)=C2O1)C1=NNN=N1	REAL000000001032	1	39	0.0	-11.23	333.15	4.81	-6.43
CCCC(NC(=O)C1=C(C)C2=CC(Cl)=CC=C2O1)C1=NN=N[N-]1	REAL000000001033	0	38	-1.0	-43.34	340.07	5.24	-38.10
CCCC(NC(=O)C1=C(C)C2=CC(Cl)=CC=C2O1)C1=N[N-]N=N1	REAL000000001033	1	38	-1.0	-43.34	340.01	5.24	-38.10
CCCC(NC(=O)C1=C(C)C2=CC(Cl)=CC=C2O1)C1=NNN=N1	REAL000000001033	1	39	0.0	-8.88	343.44	5.25	-3.63
CCCC(NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000001034	0	52	-1.0	-46.06	403.17	4.56	-41.50
CCCC(NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000001034	1	52	-1.0	-46.06	403.11	4.56	-41.49
CCCC(NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000001034	1	53	0.0	-9.06	399.36	4.25	-4.81
CCCC(NC(=O)C=CC1=C(CC)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000001035	0	45	-1.0	-47.23	382.42	6.92	-40.31
CCCC(NC(=O)C=CC1=C(CC)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000001035	1	45	-1.0	-47.23	382.36	6.92	-40.30
CCCC(NC(=O)C=CC1=C(CC)OC2=CC=CC=C21)C1=NNN=N1	REAL000000001035	1	46	0.0	-12.00	385.80	6.93	-5.07
CCCC(NC(=O)CCC1=CN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL000000001036	0	45	-1.0	-49.05	379.21	6.33	-42.71
CCCC(NC(=O)CCC1=CN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL000000001036	1	45	-1.0	-49.05	379.15	6.32	-42.72
CCCC(NC(=O)CCC1=CN(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000001036	1	46	0.0	-11.76	375.40	6.01	-5.75
CCCC(NC(=O)CCCC1=CC=C(Br)S1)C1=NN=N[N-]1	REAL000000001037	0	38	-1.0	-46.15	353.78	5.73	-40.41
CCCC(NC(=O)CCCC1=CC=C(Br)S1)C1=N[N-]N=N1	REAL000000001037	1	38	-1.0	-46.14	353.72	5.73	-40.42
CCCC(NC(=O)CCCC1=CC=C(Br)S1)C1=NNN=N1	REAL000000001037	1	39	0.0	-12.42	357.15	5.75	-6.67
CCCC(NC(=O)CCCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000001038	0	48	-1.0	-47.46	386.98	1.89	-45.56
CCCC(NC(=O)CCCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000001038	1	48	-1.0	-47.45	386.92	1.88	-45.57
CCCC(NC(=O)CCCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000001038	1	49	0.0	-13.47	390.36	1.90	-11.57
CCCC(NC(=O)CCSC1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL000000001039	0	41	-1.0	-50.83	374.36	5.24	-45.59
CCCC(NC(=O)CCSC1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL000000001039	1	41	-1.0	-50.82	374.31	5.25	-45.58
CCCC(NC(=O)CCSC1=NC2=CC=CC=C2S1)C1=NNN=N1	REAL000000001039	1	42	0.0	-15.13	377.74	5.26	-9.87
CCCC(NC(=O)C1CN(C(C)=O)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL000000001040	0	44	-1.0	-48.21	360.60	4.39	-43.82
CCCC(NC(=O)C1CN(C(C)=O)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL000000001040	1	44	-1.0	-48.21	360.54	4.40	-43.82
CCCC(NC(=O)C1CN(C(C)=O)C2=CC=CC=C2O1)C1=NNN=N1	REAL000000001040	1	45	0.0	-18.31	363.64	4.35	-13.97
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1OC)C1=NN=N[N-]1	REAL000000001041	0	43	-1.0	-54.45	367.02	4.31	-50.14
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1OC)C1=N[N-]N=N1	REAL000000001041	1	43	-1.0	-54.46	366.96	4.31	-50.15
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1OC)C1=NNN=N1	REAL000000001041	1	44	0.0	-12.83	363.21	3.97	-8.86
CCCC(NC(=O)COC1=CC=CC=C1C(C)(C)C)C1=NN=N[N-]1	REAL000000001042	0	48	-1.0	-48.38	379.07	6.76	-41.62
CCCC(NC(=O)COC1=CC=CC=C1C(C)(C)C)C1=N[N-]N=N1	REAL000000001042	1	48	-1.0	-48.38	379.01	6.75	-41.63
CCCC(NC(=O)COC1=CC=CC=C1C(C)(C)C)C1=NNN=N1	REAL000000001042	1	49	0.0	-12.72	382.44	6.76	-5.96
CCCC(NC(=O)CC1=CC(OC)=CC=C1OC)C1=NN=N[N-]1	REAL000000001043	0	43	-1.0	-50.13	356.77	2.99	-47.14
CCCC(NC(=O)CC1=CC(OC)=CC=C1OC)C1=N[N-]N=N1	REAL000000001043	1	43	-1.0	-50.13	356.72	2.99	-47.14
CCCC(NC(=O)CC1=CC(OC)=CC=C1OC)C1=NNN=N1	REAL000000001043	1	44	0.0	-10.81	352.99	2.67	-8.14
CCCC(NC(=O)CCCN1C(=O)NC(C)(C)C1=O)C1=NN=N[N-]1	REAL000000001044	0	46	-1.0	-53.57	383.82	1.44	-52.13
CCCC(NC(=O)CCCN1C(=O)NC(C)(C)C1=O)C1=N[N-]N=N1	REAL000000001044	1	46	-1.0	-53.57	383.76	1.44	-52.13
CCCC(NC(=O)CCCN1C(=O)NC(C)(C)C1=O)C1=NNN=N1	REAL000000001044	1	47	0.0	-17.71	387.20	1.45	-16.27
CCCC(NC(=O)COC1=CC=C(C2=CC=CC=C2)C=C1Cl)C1=NN=N[N-]1	REAL000000001045	0	46	-1.0	-51.91	398.07	8.19	-43.72
CCCC(NC(=O)COC1=CC=C(C2=CC=CC=C2)C=C1Cl)C1=N[N-]N=N1	REAL000000001045	1	46	-1.0	-51.90	398.01	8.19	-43.71
CCCC(NC(=O)COC1=CC=C(C2=CC=CC=C2)C=C1Cl)C1=NNN=N1	REAL000000001045	1	47	0.0	-13.69	394.22	7.78	-5.92
CCCC(NC(=O)C1=CC=C(N2C=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000001046	0	40	-1.0	-46.36	335.07	6.44	-39.92
CCCC(NC(=O)C1=CC=C(N2C=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000001046	1	40	-1.0	-46.36	335.02	6.43	-39.93
CCCC(NC(=O)C1=CC=C(N2C=CC=C2)C=C1)C1=NNN=N1	REAL000000001046	1	41	0.0	-12.17	338.45	6.45	-5.72
CCCC(NC(=O)CC1=CSC(C2=CC=C(C)C=C2)=N1)C1=NN=N[N-]1	REAL000000001047	0	44	-1.0	-51.05	384.06	5.95	-45.09
CCCC(NC(=O)CC1=CSC(C2=CC=C(C)C=C2)=N1)C1=N[N-]N=N1	REAL000000001047	1	44	-1.0	-51.03	384.01	5.95	-45.08
CCCC(NC(=O)CC1=CSC(C2=CC=C(C)C=C2)=N1)C1=NNN=N1	REAL000000001047	1	45	0.0	-15.10	387.45	5.96	-9.14
CCCC(NC(=O)CCC1=C(C)NC(=O)C(C#N)=C1C)C1=NN=N[N-]1	REAL000000001048	0	45	-1.0	-54.67	375.38	3.20	-51.47
CCCC(NC(=O)CCC1=C(C)NC(=O)C(C#N)=C1C)C1=N[N-]N=N1	REAL000000001048	1	45	-1.0	-54.66	375.32	3.19	-51.47
CCCC(NC(=O)C1=C(Cl)C2=C(SC=C2)S1)C1=NN=N[N-]1	REAL000000001049	0	32	-1.0	-45.63	317.36	4.63	-40.99
CCCC(NC(=O)CC1=CSC(C2=CC=CC(C)=C2)=N1)C1=NN=N[N-]1	REAL000000001050	0	44	-1.0	-56.17	384.07	5.95	-50.21
CCCC(NC(=O)CC1=CSC(C2=CC=CC(C)=C2)=N1)C1=N[N-]N=N1	REAL000000001050	1	44	-1.0	-56.16	384.02	5.94	-50.21
CCCC(NC(=O)CC1=CSC(C2=CC=CC(C)=C2)=N1)C1=NNN=N1	REAL000000001050	1	45	0.0	-15.17	387.45	5.96	-9.21
CCCC(NC(=O)CN1C=NC2=C(OC3=CC=CC=C32)C1=O)C1=NN=N[N-]1	REAL000000001051	0	43	-1.0	-68.89	372.41	5.33	-63.56
CCCC(NC(=O)CN1C=NC2=C(OC3=CC=CC=C32)C1=O)C1=N[N-]N=N1	REAL000000001051	1	43	-1.0	-68.88	372.36	5.32	-63.56
CCCC(NC(=O)CN1C=NC2=C(OC3=CC=CC=C32)C1=O)C1=NNN=N1	REAL000000001051	1	44	0.0	-29.53	375.79	5.34	-24.19
CCCC(NC(=O)CCC1=CC(OC)=CC(OC)=C1)C1=NN=N[N-]1	REAL000000001052	0	46	-1.0	-47.83	379.38	3.74	-44.09
CCCC(NC(=O)CCC1=CC(OC)=CC(OC)=C1)C1=N[N-]N=N1	REAL000000001052	1	46	-1.0	-47.83	379.32	3.73	-44.10
CCCC(NC(=O)CCC1=CC(OC)=CC(OC)=C1)C1=NNN=N1	REAL000000001052	1	47	0.0	-12.45	382.76	3.75	-8.69
CCCC(NC(=O)COC1=CC=C(N2CCCC2=O)C=C1)C1=NN=N[N-]1	REAL000000001053	0	47	-1.0	-54.53	385.73	5.34	-49.19
CCCC(NC(=O)COC1=CC=C(N2CCCC2=O)C=C1)C1=N[N-]N=N1	REAL000000001053	1	47	-1.0	-54.52	385.67	5.34	-49.18
CCCC(NC(=O)COC1=CC=C(N2CCCC2=O)C=C1)C1=NNN=N1	REAL000000001053	1	48	0.0	-19.19	389.11	5.35	-13.84
CCCC(NC(=O)CCC1=CC=C(C2=CC=CC=C2F)O1)C1=NN=N[N-]1	REAL000000001054	0	45	-1.0	-52.02	389.03	7.13	-44.89
CCCC(NC(=O)CCC1=CC=C(C2=CC=CC=C2F)O1)C1=N[N-]N=N1	REAL000000001054	1	45	-1.0	-52.02	388.97	7.12	-44.89
CCCC(NC(=O)CCC1=CC=C(C2=CC=CC=C2F)O1)C1=NNN=N1	REAL000000001054	1	46	0.0	-12.31	385.24	6.81	-5.49
CCCC(NC(=O)C1COC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL000000001055	0	40	-1.0	-44.79	328.98	4.16	-40.62
CCCC(NC(=O)C1COC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL000000001055	1	40	-1.0	-44.78	328.92	4.16	-40.62
CCCC(NC(=O)C1COC2=CC=CC=C2C1)C1=NNN=N1	REAL000000001055	1	41	0.0	-10.40	332.35	4.17	-6.22
CCCC(NC(=O)CCC1=CC(C(C)=O)=C(C)O1)C1=NN=N[N-]1	REAL000000001056	0	43	-1.0	-47.88	364.04	4.65	-43.23
CCCC(NC(=O)CCC1=CC(C(C)=O)=C(C)O1)C1=N[N-]N=N1	REAL000000001056	1	43	-1.0	-47.87	363.98	4.64	-43.23
CCCC(NC(=O)CCC1=CC(C(C)=O)=C(C)O1)C1=NNN=N1	REAL000000001056	1	44	0.0	-13.17	367.42	4.66	-8.51
CCCC(NC(=O)C(=O)C1=C(C)N(C)N=C1C)C1=NN=N[N-]1	REAL000000001057	0	40	-1.0	-44.24	345.67	2.38	-41.86
CCCC(NC(=O)C(=O)C1=C(C)N(C)N=C1C)C1=N[N-]N=N1	REAL000000001057	1	40	-1.0	-44.24	345.61	2.39	-41.86
CCCC(NC(=O)C(=O)C1=C(C)N(C)N=C1C)C1=NNN=N1	REAL000000001057	1	41	0.0	-13.34	348.18	2.37	-10.97
CCCC(NC(=O)C1COC2=CC=C(Cl)C=C2C1)C1=NN=N[N-]1	REAL000000001058	0	40	-1.0	-43.83	345.66	4.68	-39.15
CCCC(NC(=O)C1COC2=CC=C(Cl)C=C2C1)C1=N[N-]N=N1	REAL000000001058	1	40	-1.0	-43.83	345.60	4.68	-39.14
CCCC(NC(=O)C1COC2=CC=C(Cl)C=C2C1)C1=NNN=N1	REAL000000001058	1	41	0.0	-10.55	349.09	4.68	-5.86
CCCC(NC(=O)C1=CC(C2=CSC(C)=N2)=CN1)C1=NN=N[N-]1	REAL000000001059	0	39	-1.0	-54.49	348.69	2.85	-51.65
CCCC(NC(=O)C1=CC(C2=CSC(C)=N2)=CN1)C1=N[N-]N=N1	REAL000000001059	1	39	-1.0	-54.50	348.63	2.84	-51.66
CCCC(NC(=O)C1=CC(C2=CSC(C)=N2)=CN1)C1=NNN=N1	REAL000000001059	1	40	0.0	-18.37	352.07	2.85	-15.52
CCCC(NC(=O)CCC1=C(C)N(CC(C)C)N=C1C)C1=NN=N[N-]1	REAL000000001060	0	53	-1.0	-46.47	417.48	5.88	-40.59
CCCC(NC(=O)CCC1=C(C)N(CC(C)C)N=C1C)C1=N[N-]N=N1	REAL000000001060	1	53	-1.0	-46.47	417.42	5.87	-40.60
CCCC(NC(=O)CCC1=C(C)N(CC(C)C)N=C1C)C1=NNN=N1	REAL000000001060	1	54	0.0	-12.99	420.73	5.88	-7.11
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(Cl)C=C2)S1)C1=NN=N[N-]1	REAL000000001061	0	41	-1.0	-44.06	374.95	5.67	-38.38
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(Cl)C=C2)S1)C1=N[N-]N=N1	REAL000000001061	1	41	-1.0	-44.06	374.90	5.68	-38.38
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(Cl)C=C2)S1)C1=NNN=N1	REAL000000001061	1	42	0.0	-10.35	378.33	5.69	-4.66
CCCC(NC(=O)C1=CC2=CC=CC=C2C(=O)N1)C1=NN=N[N-]1	REAL000000001062	0	38	-1.0	-45.50	325.38	2.95	-42.55
CCCC(NC(=O)C1=CC2=CC=CC=C2C(=O)N1)C1=N[N-]N=N1	REAL000000001062	1	38	-1.0	-45.50	325.32	2.95	-42.55
CCCC(NC(=O)C1=CC2=CC=CC=C2C(=O)N1)C1=NNN=N1	REAL000000001062	1	39	0.0	-12.66	328.76	2.95	-9.71
CCCC(NC(=O)C1=CC(C2=CC=C(Br)C=C2)=NN1)C1=NN=N[N-]1	REAL000000001063	0	39	-1.0	-43.15	357.09	4.30	-38.85
CCCC(NC(=O)C1=CC(C2=CC=C(Br)C=C2)=NN1)C1=N[N-]N=N1	REAL000000001063	1	39	-1.0	-43.14	357.03	4.29	-38.85
CCCC(NC(=O)C1=CC(C2=CC=C(Br)C=C2)=NN1)C1=NNN=N1	REAL000000001063	1	40	0.0	-11.30	360.47	4.31	-7.00
CCCC(NC(=O)CCC1=NC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL000000001064	0	41	-1.0	-49.06	346.62	3.83	-45.23
CCCC(NC(=O)CCC1=NC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL000000001064	1	41	-1.0	-49.06	346.57	3.83	-45.23
CCCC(NC(=O)CCC1=NC2=CC=CC=C2N1)C1=NNN=N1	REAL000000001064	1	42	0.0	-13.03	350.00	3.84	-9.19
CCCC(NC(=O)CC1=C(C)N2N=C(N)N=C2N=C1C)C1=NN=N[N-]1	REAL000000001065	0	44	-1.0	-55.25	366.35	5.91	-49.34
CCCC(NC(=O)CC1=C(C)N2N=C(N)N=C2N=C1C)C1=N[N-]N=N1	REAL000000001065	1	44	-1.0	-55.24	366.29	5.91	-49.33
CCCC(NC(=O)CC1=C(C)N2N=C(N)N=C2N=C1C)C1=NNN=N1	REAL000000001065	1	45	0.0	-24.01	369.72	5.92	-18.10
CCCC(NC(=O)C1=CC2=C(S1)C1=CC=CC=C1S2)C1=NN=N[N-]1	REAL000000001066	0	38	-1.0	-46.57	351.14	6.54	-40.03
CCCC(NC(=O)C1=CC2=C(S1)C1=CC=CC=C1S2)C1=N[N-]N=N1	REAL000000001066	1	38	-1.0	-46.57	351.08	6.53	-40.04
CCCC(NC(=O)C1=CC2=C(S1)C1=CC=CC=C1S2)C1=NNN=N1	REAL000000001066	1	39	0.0	-8.60	347.34	6.22	-2.39
CCCC(NC(=O)CCC1=NC(C2=CSC=C2)=NO1)C1=NN=N[N-]1	REAL000000001067	0	40	-1.0	-45.63	361.48	2.65	-42.98
CCCC(NC(=O)CCC1=NC(C2=CSC=C2)=NO1)C1=N[N-]N=N1	REAL000000001067	1	40	-1.0	-45.62	361.43	2.65	-42.97
CCCC(NC(=O)CCC1=NC(C2=CSC=C2)=NO1)C1=NNN=N1	REAL000000001067	1	41	0.0	-10.69	357.63	2.33	-8.36
CCCC(NC(=O)C1=CC=C(C2=CC=C(C(C)=O)C=C2)O1)C1=NN=N[N-]1	REAL000000001068	0	44	-1.0	-50.91	378.32	5.79	-45.12
CCCC(NC(=O)C1=CC=C(C2=CC=C(C(C)=O)C=C2)O1)C1=N[N-]N=N1	REAL000000001068	1	44	-1.0	-50.91	378.26	5.78	-45.13
CCCC(NC(=O)C1=CC=C(C2=CC=C(C(C)=O)C=C2)O1)C1=NNN=N1	REAL000000001068	1	45	0.0	-15.19	382.42	5.82	-9.37
CCCC(NC(=O)C1=CC=C(C2=NC3=CC=CC=C3S2)O1)C1=NN=N[N-]1	REAL000000001069	0	41	-1.0	-49.50	372.35	4.93	-44.57
CCCC(NC(=O)C1=CC=C(C2=NC3=CC=CC=C3S2)O1)C1=N[N-]N=N1	REAL000000001069	1	41	-1.0	-49.50	372.30	4.92	-44.58
CCCC(NC(=O)C1=CC=C(C2=NC3=CC=CC=C3S2)O1)C1=NNN=N1	REAL000000001069	1	42	0.0	-13.21	375.73	4.94	-8.26
CCCC(NC(=O)C1=C(C)C2=C(O1)C1=CC=CC=C1C=C2)C1=NN=N[N-]1	REAL000000001070	0	44	-1.0	-47.89	369.35	6.96	-40.94
CCCC(NC(=O)C1=C(C)C2=C(O1)C1=CC=CC=C1C=C2)C1=N[N-]N=N1	REAL000000001070	1	44	-1.0	-47.90	369.29	6.96	-40.94
CCCC(NC(=O)C1=C(C)C2=C(O1)C1=CC=CC=C1C=C2)C1=NNN=N1	REAL000000001070	1	45	0.0	-9.36	365.54	6.64	-2.72
CCCC(NC(=O)CCC1=CC=C(N(C)C)C=C1)C1=NN=N[N-]1	REAL000000001071	0	46	-1.0	-46.55	372.90	5.54	-41.01
CCCC(NC(=O)CCC1=CC=C(N(C)C)C=C1)C1=N[N-]N=N1	REAL000000001071	1	46	-1.0	-46.56	372.84	5.54	-41.02
CCCC(NC(=O)CCC1=CC=C(N(C)C)C=C1)C1=NNN=N1	REAL000000001071	1	47	0.0	-8.35	368.09	5.20	-3.15
CCCC(NC(=O)CCCNC(=O)C1=CC=CC=C1OCC)C1=NN=N[N-]1	REAL000000001072	0	52	-1.0	-52.63	426.13	5.08	-47.55
CCCC(NC(=O)CCCNC(=O)C1=CC=CC=C1OCC)C1=N[N-]N=N1	REAL000000001072	1	52	-1.0	-52.63	426.08	5.07	-47.56
CCCC(NC(=O)CCCNC(=O)C1=CC=CC=C1OCC)C1=NNN=N1	REAL000000001072	1	53	0.0	-18.61	429.51	5.09	-13.51
CCCC(NC(=O)CC1=C(C)N(C2=CC=CC=C2)N=C1C)C1=NN=N[N-]1	REAL000000001073	0	48	-1.0	-52.58	395.29	6.44	-46.14
CCCC(NC(=O)CC1=C(C)N(C2=CC=CC=C2)N=C1C)C1=N[N-]N=N1	REAL000000001073	1	48	-1.0	-52.58	395.23	6.43	-46.15
CCCC(NC(=O)CC1=C(C)N(C2=CC=CC=C2)N=C1C)C1=NNN=N1	REAL000000001073	1	49	0.0	-18.04	398.66	6.45	-11.60
CCCC(NC(=O)C1=CC=C(NC(=O)OCC)C=C1)C1=NN=N[N-]1	REAL000000001074	0	43	-1.0	-51.70	363.29	2.83	-48.88
CCCC(NC(=O)C1=CC=C(NC(=O)OCC)C=C1)C1=N[N-]N=N1	REAL000000001074	1	43	-1.0	-51.70	363.24	2.82	-48.89
CCCC(NC(=O)C1=CC=C(NC(=O)OCC)C=C1)C1=NNN=N1	REAL000000001074	1	44	0.0	-16.19	366.67	2.84	-13.35
CCCC(NC(=O)C1CCN(S(=O)(=O)CC)CC1)C1=NN=N[N-]1	REAL000000001075	0	46	-1.0	-48.48	376.47	1.23	-47.25
CCCC(NC(=O)C1CCN(S(=O)(=O)CC)CC1)C1=N[N-]N=N1	REAL000000001075	1	46	-1.0	-48.47	376.41	1.23	-47.24
CCCC(NC(=O)C1CCN(S(=O)(=O)CC)CC1)C1=NNN=N1	REAL000000001075	1	47	0.0	-15.94	379.83	1.24	-14.70
CCCC(NC(=O)CC1=CSC(N2CCCC2=O)=N1)C1=NN=N[N-]1	REAL000000001076	0	42	-1.0	-65.36	367.00	3.77	-61.58
CCCC(NC(=O)CC1=CSC(N2CCCC2=O)=N1)C1=N[N-]N=N1	REAL000000001076	1	42	-1.0	-65.35	366.94	3.76	-61.58
CCCC(NC(=O)CC1=CSC(N2CCCC2=O)=N1)C1=NNN=N1	REAL000000001076	1	43	0.0	-24.52	370.38	3.78	-20.73
CCCC(NC(=O)C=CC1=C(C)N(CC2=CC=C(C)C=C2)N=C1C)C1=NN=N[N-]1	REAL000000001077	0	55	-1.0	-49.43	452.58	8.15	-41.28
CCCC(NC(=O)C=CC1=C(C)N(CC2=CC=C(C)C=C2)N=C1C)C1=N[N-]N=N1	REAL000000001077	1	55	-1.0	-49.43	452.52	8.15	-41.28
CCCC(NC(=O)C=CC1=C(C)N(CC2=CC=C(C)C=C2)N=C1C)C1=NNN=N1	REAL000000001077	1	56	0.0	-11.59	452.32	7.97	-3.62
CCCC(NC(=O)C1CCCN(C(=O)NC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000001078	0	51	-1.0	-50.52	405.52	5.29	-45.23
CCCC(NC(=O)C1CCCN(C(=O)NC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000001078	1	51	-1.0	-50.52	405.46	5.28	-45.24
CCCC(NC(=O)C1CCCN(C(=O)NC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000001078	1	52	0.0	-14.33	408.89	5.30	-9.04
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(C)OC)C=C1)C1=NN=N[N-]1	REAL000000001079	0	44	-1.0	-49.74	382.44	1.84	-47.90
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(C)OC)C=C1)C1=N[N-]N=N1	REAL000000001079	1	44	-1.0	-49.74	382.38	1.83	-47.91
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(C)OC)C=C1)C1=NNN=N1	REAL000000001079	1	45	0.0	-17.12	384.83	1.64	-15.48
CCCC(NC(=O)CCN1C(=O)OC2=CC(Cl)=CC=C21)C1=NN=N[N-]1	REAL000000001080	0	41	-1.0	-50.52	370.20	5.14	-45.39
CCCC(NC(=O)CCN1C(=O)OC2=CC(Cl)=CC=C21)C1=N[N-]N=N1	REAL000000001080	1	41	-1.0	-50.52	370.14	5.13	-45.39
CCCC(NC(=O)CCN1C(=O)OC2=CC(Cl)=CC=C21)C1=NNN=N1	REAL000000001080	1	42	0.0	-13.59	373.58	5.15	-8.44
CCCC(NC(=O)CCC(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000001081	0	50	-1.0	-45.87	414.58	8.39	-37.49
CCCC(NC(=O)CCC(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000001081	1	50	-1.0	-45.87	414.53	8.38	-37.50
CCCC(NC(=O)CCC(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000001081	1	51	0.0	-10.27	410.78	8.06	-2.21
CCCC(NC(=O)CN1C(C)=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000001082	0	42	-1.0	-51.02	351.21	6.24	-44.78
CCCC(NC(=O)CN1C(C)=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000001082	1	42	-1.0	-51.01	351.16	6.23	-44.78
CCCC(NC(=O)CN1C(C)=CC2=CC=CC=C21)C1=NNN=N1	REAL000000001082	1	43	0.0	-15.27	354.59	6.25	-9.01
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL000000001083	0	48	-1.0	-55.33	406.57	7.73	-47.60
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL000000001083	1	48	-1.0	-55.33	406.51	7.73	-47.60
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000001083	1	49	0.0	-15.85	409.89	7.74	-8.11
CCCC(NC(=O)C1=CC=C2C(=O)N3CCCC3=NC2=C1)C1=NN=N[N-]1	REAL000000001084	0	44	-1.0	-52.82	366.24	4.95	-47.87
CCCC(NC(=O)C1=CC=C2C(=O)N3CCCC3=NC2=C1)C1=N[N-]N=N1	REAL000000001084	1	44	-1.0	-52.82	366.18	4.94	-47.88
CCCC(NC(=O)C1=CC=C2C(=O)N3CCCC3=NC2=C1)C1=NNN=N1	REAL000000001084	1	45	0.0	-18.05	369.61	4.96	-13.09
CCCC(NC(=O)C=CC1=C(C)N(C2=CC=CC=C2)N=C1C)C1=NN=N[N-]1	REAL000000001085	0	49	-1.0	-49.41	406.37	7.00	-42.41
CCCC(NC(=O)C=CC1=C(C)N(C2=CC=CC=C2)N=C1C)C1=N[N-]N=N1	REAL000000001085	1	49	-1.0	-49.41	406.31	7.01	-42.40
CCCC(NC(=O)C=CC1=C(C)N(C2=CC=CC=C2)N=C1C)C1=NNN=N1	REAL000000001085	1	50	0.0	-14.47	409.76	7.01	-7.45
CCCC(NC(=O)C=CC1=C(Cl)N(C2=CC=CC=C2)N=C1C)C1=NN=N[N-]1	REAL000000001086	0	46	-1.0	-47.42	405.57	6.98	-40.44
CCCC(NC(=O)C=CC1=C(Cl)N(C2=CC=CC=C2)N=C1C)C1=N[N-]N=N1	REAL000000001086	1	46	-1.0	-47.42	405.51	6.97	-40.46
CCCC(NC(=O)C=CC1=C(Cl)N(C2=CC=CC=C2)N=C1C)C1=NNN=N1	REAL000000001086	1	47	0.0	-12.48	408.96	6.99	-5.50
CCCC(NC(=O)C1=C(C)C2=C(N=C3CCCN3C2=O)S1)C1=NN=N[N-]1	REAL000000001087	0	44	-1.0	-54.80	372.17	4.78	-50.02
CCCC(NC(=O)C1=C(C)C2=C(N=C3CCCN3C2=O)S1)C1=N[N-]N=N1	REAL000000001087	1	44	-1.0	-54.80	372.11	4.77	-50.03
CCCC(NC(=O)C1=C(C)C2=C(N=C3CCCN3C2=O)S1)C1=NNN=N1	REAL000000001087	1	45	0.0	-18.47	375.56	4.79	-13.67
CCCC(NC(=O)CC1=CSC(C2=CC=CC=C2Cl)=N1)C1=NN=N[N-]1	REAL000000001088	0	41	-1.0	-54.42	372.98	5.58	-48.84
CCCC(NC(=O)CC1=CSC(C2=CC=CC=C2Cl)=N1)C1=N[N-]N=N1	REAL000000001088	1	41	-1.0	-54.42	372.92	5.58	-48.84
CCCC(NC(=O)CC1=CSC(C2=CC=CC=C2Cl)=N1)C1=NNN=N1	REAL000000001088	1	42	0.0	-16.12	376.37	5.59	-10.52
CCCC(NC(=O)C1=CC(N2CCCC2)=CC=N1)C1=NN=N[N-]1	REAL000000001089	0	43	-1.0	-47.08	350.52	2.52	-44.57
CCCC(NC(=O)C1=CC(N2CCCC2)=CC=N1)C1=N[N-]N=N1	REAL000000001089	1	43	-1.0	-47.09	350.46	2.51	-44.58
CCCC(NC(=O)C1=CC(N2CCCC2)=CC=N1)C1=NNN=N1	REAL000000001089	1	44	0.0	-10.77	353.00	2.44	-8.33
CCCC(NC(=O)C1=CC=C2N=C(C)C(C)=NC2=C1)C1=NN=N[N-]1	REAL000000001090	0	42	-1.0	-51.27	349.16	3.20	-48.08
CCCC(NC(=O)C1=CC=C2N=C(C)C(C)=NC2=C1)C1=N[N-]N=N1	REAL000000001090	1	42	-1.0	-51.27	349.10	3.20	-48.08
CCCC(NC(=O)C1=CC=C2N=C(C)C(C)=NC2=C1)C1=NNN=N1	REAL000000001090	1	43	0.0	-16.01	352.54	3.21	-12.80
CCCC(NC(=O)CC1=CSC(C2=CC=CN=C2)=N1)C1=NN=N[N-]1	REAL000000001091	0	40	-1.0	-59.15	357.66	3.51	-55.64
CCCC(NC(=O)CC1=CSC(C2=CC=CN=C2)=N1)C1=N[N-]N=N1	REAL000000001091	1	40	-1.0	-59.14	357.60	3.50	-55.64
CCCC(NC(=O)CC1=CSC(C2=CC=CN=C2)=N1)C1=NNN=N1	REAL000000001091	1	41	0.0	-14.28	353.85	3.19	-11.09
CCCC(NC(=O)CC1=CSC(C2=CC=CS2)=N1)C1=NN=N[N-]1	REAL000000001092	0	38	-1.0	-56.33	354.27	4.32	-52.01
CCCC(NC(=O)CC1=CSC(C2=CC=CS2)=N1)C1=N[N-]N=N1	REAL000000001092	1	38	-1.0	-56.33	354.21	4.31	-52.01
CCCC(NC(=O)CC1=CSC(C2=CC=CS2)=N1)C1=NNN=N1	REAL000000001092	1	39	0.0	-12.96	350.46	4.00	-8.96
CCCC(NC(=O)C1=CSC(C2=CC=C(CC)C=C2)=N1)C1=NN=N[N-]1	REAL000000001093	0	44	-1.0	-47.08	384.50	5.88	-41.19
CCCC(NC(=O)C1=CSC(C2=CC=C(CC)C=C2)=N1)C1=N[N-]N=N1	REAL000000001093	1	44	-1.0	-47.08	384.44	5.88	-41.20
CCCC(NC(=O)C1=CSC(C2=CC=C(CC)C=C2)=N1)C1=NNN=N1	REAL000000001093	1	45	0.0	-8.13	380.69	5.57	-2.56
CCCC(NC(=O)CCN1C=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000001094	0	41	-1.0	-45.92	347.72	5.89	-40.03
CCCC(NC(=O)CCN1C=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000001094	1	41	-1.0	-45.92	347.66	5.88	-40.04
CCCC(NC(=O)CCN1C=NC2=CC=CC=C21)C1=NNN=N1	REAL000000001094	1	42	0.0	-14.42	351.09	5.90	-8.52
CCCC(NC(=O)CN1C(=O)COC2=CC=C([N+](=O)[O-])C=C21)C1=NN=N[N-]1	REAL000000001095	0	43	-1.0	-55.08	373.66	3.76	-51.31
CCCC(NC(=O)CN1C(=O)COC2=CC=C([N+](=O)[O-])C=C21)C1=N[N-]N=N1	REAL000000001095	1	43	-1.0	-55.08	373.60	3.76	-51.31
CCCC(NC(=O)CN1C(=O)COC2=CC=C([N+](=O)[O-])C=C21)C1=NNN=N1	REAL000000001095	1	44	0.0	-17.74	377.04	3.77	-13.97
CCCC(NC(=O)CCC1=NC(C2=CC=C(Cl)C=C2)=NO1)C1=NN=N[N-]1	REAL000000001096	0	43	-1.0	-43.93	388.00	4.29	-39.65
CCCC(NC(=O)CCC1=NC(C2=CC=C(Cl)C=C2)=NO1)C1=N[N-]N=N1	REAL000000001096	1	43	-1.0	-43.92	387.94	4.29	-39.64
CCCC(NC(=O)CCC1=NC(C2=CC=C(Cl)C=C2)=NO1)C1=NNN=N1	REAL000000001096	1	44	0.0	-12.01	391.37	4.30	-7.71
CCCC(NC(=O)C1CCCN(C2=CN=CC=N2)C1)C1=NN=N[N-]1	REAL000000001097	0	45	-1.0	-49.61	361.02	2.32	-47.28
CCCC(NC(=O)C1CCCN(C2=CN=CC=N2)C1)C1=N[N-]N=N1	REAL000000001097	1	45	-1.0	-49.61	360.97	2.31	-47.29
CCCC(NC(=O)C1CCCN(C2=CN=CC=N2)C1)C1=NNN=N1	REAL000000001097	1	46	0.0	-11.74	364.44	2.33	-9.40
CCCC(NC(=O)CN1C=C(Br)C(=O)NC1=O)C1=NN=N[N-]1	REAL000000001098	0	35	-1.0	-56.24	328.49	0.81	-55.43
CCCC(NC(=O)CN1C=C(Br)C(=O)NC1=O)C1=N[N-]N=N1	REAL000000001098	1	35	-1.0	-56.23	328.43	0.80	-55.43
CCCC(NC(=O)CN1C=C(Br)C(=O)NC1=O)C1=NNN=N1	REAL000000001098	1	36	0.0	-22.06	331.86	0.82	-21.24
CCCC(NC(=O)C1=C(C)C2=C(N=CN(C)C2=O)S1)C1=NN=N[N-]1	REAL000000001099	0	40	-1.0	-55.17	346.76	4.18	-51.00
CCCC(NC(=O)C1=C(C)C2=C(N=CN(C)C2=O)S1)C1=N[N-]N=N1	REAL000000001099	1	40	-1.0	-55.17	346.70	4.18	-50.99
CCCC(NC(=O)C1=C(C)C2=C(N=CN(C)C2=O)S1)C1=NNN=N1	REAL000000001099	1	41	0.0	-15.94	342.95	3.85	-12.08
CCCC(NC(=O)CCC1=NN=C(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL000000001100	0	43	-1.0	-46.87	371.92	1.09	-45.78
CCCC(NC(=O)CCC1=NN=C(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL000000001100	1	43	-1.0	-46.86	371.86	1.09	-45.77
CCCC(NC(=O)CCC1=NN=C(C2=CC=CC=C2)O1)C1=NNN=N1	REAL000000001100	1	44	0.0	-14.60	375.29	1.10	-13.50
CCCC(NC(=O)C1=CC=C2C(=C1)N=C(C)N2C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000001101	0	48	-1.0	-53.51	403.09	8.21	-45.30
CCCC(NC(=O)C1=CC=C2C(=C1)N=C(C)N2C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000001101	1	48	-1.0	-53.50	403.03	8.20	-45.30
CCCC(NC(=O)C1=CC=C2C(=C1)N=C(C)N2C1=CC=CC=C1)C1=NNN=N1	REAL000000001101	1	49	0.0	-16.99	406.47	8.21	-8.78
CCCC(NC(=O)CNC1=NS(=O)(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000001102	0	41	-1.0	-51.51	363.04	-0.01	-51.52
CCCC(NC(=O)CNC1=NS(=O)(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000001102	1	41	-1.0	-51.51	362.98	-0.01	-51.52
CCCC(NC(=O)CNC1=NS(=O)(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000001102	1	42	0.0	-20.93	366.41	-0.00	-20.93
CCCC(NC(=O)CC1=C(C(=O)OC)C(C)=C(C(C)=O)N1)C1=NN=N[N-]1	REAL000000001103	0	47	-1.0	-48.96	401.31	3.88	-45.08
CCCC(NC(=O)CC1=C(C(=O)OC)C(C)=C(C(C)=O)N1)C1=N[N-]N=N1	REAL000000001103	1	47	-1.0	-48.95	401.25	3.87	-45.08
CCCC(NC(=O)CC1=C(C(=O)OC)C(C)=C(C(C)=O)N1)C1=NNN=N1	REAL000000001103	1	48	0.0	-21.18	405.96	3.86	-17.32
CCCC(NC(=O)C1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000001104	0	52	-1.0	-48.38	422.25	4.06	-44.32
CCCC(NC(=O)C1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000001104	1	52	-1.0	-48.38	422.19	4.06	-44.32
CCCC(NC(=O)C1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C1=NNN=N1	REAL000000001104	1	53	0.0	-13.88	425.63	4.07	-9.80
CCCC(NC(=O)CCC(=O)C1=CC=C2C=CC=CC2=C1)C1=NN=N[N-]1	REAL000000001105	0	46	-1.0	-46.15	386.63	7.19	-38.96
CCCC(NC(=O)CCC(=O)C1=CC=C2C=CC=CC2=C1)C1=N[N-]N=N1	REAL000000001105	1	46	-1.0	-46.14	386.57	7.19	-38.95
CCCC(NC(=O)CCC(=O)C1=CC=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000001105	1	47	0.0	-12.25	390.01	7.20	-5.04
CCCC(NC(=O)CC1C2=CC=CC=C2C=CN1C(C)=O)C1=NN=N[N-]1	REAL000000001106	0	47	-1.0	-57.77	381.40	7.47	-50.30
CCCC(NC(=O)CC1C2=CC=CC=C2C=CN1C(C)=O)C1=N[N-]N=N1	REAL000000001106	1	47	-1.0	-57.76	381.34	7.47	-50.29
CCCC(NC(=O)CC1C2=CC=CC=C2C=CN1C(C)=O)C1=NNN=N1	REAL000000001106	1	48	0.0	-16.00	383.40	7.42	-8.57
CCCC(NC(=O)CC1C2=CC=CC=C2CCN1C(C)=O)C1=NN=N[N-]1	REAL000000001107	0	49	-1.0	-48.63	380.04	6.24	-42.39
CCCC(NC(=O)CC1C2=CC=CC=C2CCN1C(C)=O)C1=N[N-]N=N1	REAL000000001107	1	49	-1.0	-48.63	379.98	6.23	-42.39
CCCC(NC(=O)CC1C2=CC=CC=C2CCN1C(C)=O)C1=NNN=N1	REAL000000001107	1	50	0.0	-11.55	383.45	6.25	-5.30
CCCC(NC(=O)CN1C2=CC=CC=C2OCCC1=O)C1=NN=N[N-]1	REAL000000001108	0	44	-1.0	-49.75	361.94	3.74	-46.01
CCCC(NC(=O)CN1C2=CC=CC=C2OCCC1=O)C1=N[N-]N=N1	REAL000000001108	1	44	-1.0	-49.76	361.88	3.74	-46.01
CCCC(NC(=O)CN1C2=CC=CC=C2OCCC1=O)C1=NNN=N1	REAL000000001108	1	45	0.0	-15.13	361.04	3.49	-11.64
CCCC(NC(=O)C1=CC(F)=CC=C1Br)C1=NN=N[N-]1	REAL000000001109	0	32	-1.0	-44.24	297.02	4.34	-39.89
CCCC(NC(=O)C1=CC(F)=CC=C1Br)C1=N[N-]N=N1	REAL000000001109	1	32	-1.0	-44.23	296.97	4.34	-39.90
CCCC(NC(=O)C1=CC(F)=CC=C1Br)C1=NNN=N1	REAL000000001109	1	33	0.0	-9.63	300.40	4.35	-5.28
CCCC(NC(=O)CCC(=O)C1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL000000001110	0	46	-1.0	-45.44	378.97	6.17	-39.26
CCCC(NC(=O)CCC(=O)C1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL000000001110	1	46	-1.0	-45.44	378.91	6.16	-39.27
CCCC(NC(=O)CCC(=O)C1=CC=C(C)C(C)=C1)C1=NNN=N1	REAL000000001110	1	47	0.0	-9.38	375.16	5.85	-3.53
CCCC(NC(=O)C1=CC=C(OCC(N)=O)C(OC)=C1)C1=NN=N[N-]1	REAL000000001111	0	44	-1.0	-58.24	371.55	0.85	-57.40
CCCC(NC(=O)C1=CC=C(OCC(N)=O)C(OC)=C1)C1=N[N-]N=N1	REAL000000001111	1	44	-1.0	-58.24	371.49	0.85	-57.39
CCCC(NC(=O)C1=CC=C(OCC(N)=O)C(OC)=C1)C1=NNN=N1	REAL000000001111	1	45	0.0	-20.73	367.73	0.53	-20.20
CCCC(NC(=O)CN1C(=O)C=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000001112	0	40	-1.0	-48.61	341.38	3.06	-45.55
CCCC(NC(=O)CN1C(=O)C=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000001112	1	40	-1.0	-48.60	341.32	3.06	-45.54
CCCC(NC(=O)CN1C(=O)C=NC2=CC=CC=C21)C1=NNN=N1	REAL000000001112	1	41	0.0	-19.38	344.75	3.07	-16.30
CCCC(NC(=O)CN1C=NC2=C(C=CS2)C1=O)C1=NN=N[N-]1	REAL000000001113	0	37	-1.0	-51.16	335.18	3.91	-47.26
CCCC(NC(=O)CN1C=NC2=C(C=CS2)C1=O)C1=N[N-]N=N1	REAL000000001113	1	37	-1.0	-51.16	335.12	3.91	-47.25
CCCC(NC(=O)CN1C=NC2=C(C=CS2)C1=O)C1=NNN=N1	REAL000000001113	1	38	0.0	-19.89	338.55	3.92	-15.97
CCCC(NC(=O)CCN1C=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000001114	0	42	-1.0	-44.03	353.19	6.31	-37.72
CCCC(NC(=O)CCN1C=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000001114	1	42	-1.0	-44.02	353.13	6.30	-37.72
CCCC(NC(=O)CCN1C=CC2=CC=CC=C21)C1=NNN=N1	REAL000000001114	1	43	0.0	-11.77	356.56	6.32	-5.45
CCCC(NC(=O)CC1=NOC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000001115	0	37	-1.0	-55.93	322.33	3.65	-52.27
CCCC(NC(=O)CC1=NOC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000001115	1	37	-1.0	-55.92	322.27	3.65	-52.28
CCCC(NC(=O)CC1=NOC2=CC=CC=C21)C1=NNN=N1	REAL000000001115	1	38	0.0	-15.88	318.52	3.33	-12.55
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=C(C)ON=C1C)C1=NN=N[N-]1	REAL000000001116	0	45	-1.0	-46.00	383.82	-0.45	-46.45
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=C(C)ON=C1C)C1=N[N-]N=N1	REAL000000001116	1	45	-1.0	-46.00	383.76	-0.46	-46.45
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=C(C)ON=C1C)C1=NNN=N1	REAL000000001116	1	46	0.0	-14.99	386.67	-0.37	-15.35
CCCC(NC(=O)CCCNC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL000000001117	0	45	-1.0	-49.39	383.69	4.74	-44.65
CCCC(NC(=O)CCCNC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL000000001117	1	45	-1.0	-49.39	383.63	4.73	-44.65
CCCC(NC(=O)CCCNC1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000001117	1	46	0.0	-17.48	387.07	4.75	-12.72
CCCC(NC(=O)C1=CC2=C(CCCCCC2)S1)C1=NN=N[N-]1	REAL000000001118	0	45	-1.0	-46.04	355.65	6.18	-39.86
CCCC(NC(=O)C1=CC2=C(CCCCCC2)S1)C1=N[N-]N=N1	REAL000000001118	1	45	-1.0	-46.05	355.59	6.18	-39.87
CCCC(NC(=O)C1=CC2=C(CCCCCC2)S1)C1=NNN=N1	REAL000000001118	1	46	0.0	-6.86	351.85	5.86	-0.99
CCCC1=C(CC)C=C(C(=O)NC(CCC)C2=NN=N[N-]2)S1	REAL000000001119	0	44	-1.0	-45.72	369.36	6.27	-39.46
CCCC1=C(CC)C=C(C(=O)NC(CCC)C2=N[N-]N=N2)S1	REAL000000001119	1	44	-1.0	-45.72	369.30	6.26	-39.47
CCCC1=C(CC)C=C(C(=O)NC(CCC)C2=NNN=N2)S1	REAL000000001119	1	45	0.0	-9.42	372.75	6.27	-3.15
CCCC(NC(=O)C1=CC2=C(CCC(C(C)(C)C)C2)S1)C1=NN=N[N-]1	REAL000000001120	0	51	-1.0	-46.01	399.19	7.32	-38.69
CCCC(NC(=O)C1=CC2=C(CCC(C(C)(C)C)C2)S1)C1=N[N-]N=N1	REAL000000001120	1	51	-1.0	-46.02	399.13	7.32	-38.70
CCCC(NC(=O)C1=CC2=C(CCC(C(C)(C)C)C2)S1)C1=NNN=N1	REAL000000001120	1	52	0.0	-6.82	395.36	7.00	0.18
CCCC(NC(=O)C1=CC2=C(CCC(C)C2)S1)C1=NN=N[N-]1	REAL000000001121	0	42	-1.0	-46.11	350.91	5.90	-40.21
CCCC(NC(=O)C1=CC2=C(CCC(C)C2)S1)C1=N[N-]N=N1	REAL000000001121	1	42	-1.0	-46.10	350.86	5.89	-40.21
CCCC(NC(=O)C1=CC2=C(CCC(C)C2)S1)C1=NNN=N1	REAL000000001121	1	43	0.0	-9.75	354.29	5.91	-3.85
CCCC1=C(C)SC(C(=O)NC(CCC)C2=NN=N[N-]2)=C1	REAL000000001122	0	41	-1.0	-46.40	348.67	5.51	-40.89
CCCC1=C(C)SC(C(=O)NC(CCC)C2=N[N-]N=N2)=C1	REAL000000001122	1	41	-1.0	-46.40	348.62	5.51	-40.89
CCCC1=C(C)SC(C(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000001122	1	42	0.0	-7.02	344.85	5.20	-1.82
CCCC(NC(=O)C1=CC2=C(S1)N(C1=CC=C(F)C=C1)N=C2C)C1=NN=N[N-]1	REAL000000001123	0	45	-1.0	-45.75	402.00	6.81	-38.93
CCCC(NC(=O)C1=CC2=C(S1)N(CC1=CC=CC=C1)N=C2C)C1=NN=N[N-]1	REAL000000001124	0	48	-1.0	-46.82	419.71	7.22	-39.60
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C1=NN=N[N-]1	REAL000000001125	0	34	-1.0	-44.00	315.05	4.83	-39.17
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C1=N[N-]N=N1	REAL000000001125	1	34	-1.0	-43.99	314.99	4.84	-39.16
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C1=NNN=N1	REAL000000001125	1	35	0.0	-13.36	318.43	4.84	-8.52
CCCC(NC(=O)C1=C(Cl)C2=CC=CC=C2S1)C1=NN=N[N-]1	REAL000000001126	0	35	-1.0	-47.52	326.10	5.54	-41.99
CCCC(NC(=O)C1=C(Cl)C2=CC=CC=C2S1)C1=N[N-]N=N1	REAL000000001126	1	35	-1.0	-47.53	326.04	5.54	-41.99
CCCC(NC(=O)C1=C(Cl)C2=CC=CC=C2S1)C1=NNN=N1	REAL000000001126	1	36	0.0	-11.19	329.48	5.55	-5.64
CCCC(NC(=O)C1=C(Cl)C2=CC=C(Cl)C=C2S1)C1=NN=N[N-]1	REAL000000001127	0	35	-1.0	-43.96	342.82	6.05	-37.91
CCCC(NC(=O)C1=C(Cl)C2=CC=C(Cl)C=C2S1)C1=N[N-]N=N1	REAL000000001127	1	35	-1.0	-43.96	342.76	6.05	-37.91
CCCC(NC(=O)C1=C(Cl)C2=CC=C(Cl)C=C2S1)C1=NNN=N1	REAL000000001127	1	36	0.0	-9.40	346.20	6.06	-3.34
CCCC(NC(=O)C1=C(Cl)C2=CC=C(F)C=C2S1)C1=NN=N[N-]1	REAL000000001128	0	35	-1.0	-44.11	332.50	5.61	-38.50
CCCC(NC(=O)C1=C(Cl)C2=CC=C(F)C=C2S1)C1=N[N-]N=N1	REAL000000001128	1	35	-1.0	-44.11	332.44	5.61	-38.50
CCCC(NC(=O)C1=C(Cl)C2=CC=C(F)C=C2S1)C1=NNN=N1	REAL000000001128	1	36	0.0	-7.07	328.67	5.30	-1.77
CCCCN1N=C(C)C(C=CC(=O)NC(CCC)C2=NN=N[N-]2)=C1Cl	REAL000000001129	0	48	-1.0	-45.71	415.29	6.07	-39.64
CCCCN1N=C(C)C(C=CC(=O)NC(CCC)C2=N[N-]N=N2)=C1Cl	REAL000000001129	1	48	-1.0	-45.71	415.23	6.07	-39.64
CCCCN1N=C(C)C(C=CC(=O)NC(CCC)C2=NNN=N2)=C1Cl	REAL000000001129	1	49	0.0	-10.86	418.66	6.08	-4.79
CCCC(NC(=O)C=CC1=C(Cl)N(CC2=CC=CC=C2)N=C1C)C1=NN=N[N-]1	REAL000000001130	0	49	-1.0	-46.27	431.06	7.48	-38.79
CCCC(NC(=O)C=CC1=C(Cl)N(CC2=CC=CC=C2)N=C1C)C1=N[N-]N=N1	REAL000000001130	1	49	-1.0	-46.27	431.00	7.47	-38.80
CCCC(NC(=O)C=CC1=C(Cl)N(CC2=CC=CC=C2)N=C1C)C1=NNN=N1	REAL000000001130	1	50	0.0	-11.68	434.43	7.49	-4.19
CCCC(NC(=O)CN1C(=O)C=CN(CC2=CC=CC=C2)C1=O)C1=NN=N[N-]1	REAL000000001131	0	48	-1.0	-60.98	407.19	6.41	-54.57
CCCC(NC(=O)CN1C(=O)C=CN(CC2=CC=CC=C2)C1=O)C1=N[N-]N=N1	REAL000000001131	1	48	-1.0	-60.98	407.13	6.41	-54.57
CCCC(NC(=O)CN1C(=O)C=CN(CC2=CC=CC=C2)C1=O)C1=NNN=N1	REAL000000001131	1	49	0.0	-22.06	410.57	6.42	-15.64
CCCC(NC(=O)C1=CN(CC2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL000000001132	0	42	-1.0	-47.69	360.80	5.24	-42.45
CCCC(NC(=O)C1=CN(CC2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL000000001132	1	42	-1.0	-47.69	360.74	5.23	-42.46
CCCC(NC(=O)C1=CN(CC2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000001132	1	43	0.0	-12.79	364.18	5.25	-7.53
CCCC(NC(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL000000001133	0	39	-1.0	-47.68	335.32	4.79	-42.89
CCCC(NC(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL000000001133	1	39	-1.0	-47.67	335.27	4.79	-42.88
CCCC(NC(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000001133	1	40	0.0	-10.27	331.50	4.47	-5.80
CCCC(NC(=O)CC1=CSC(COC2=CC=C(C)C=C2)=N1)C1=NN=N[N-]1	REAL000000001134	0	48	-1.0	-58.04	415.68	5.48	-52.57
CCCC(NC(=O)CC1=CSC(COC2=CC=C(C)C=C2)=N1)C1=N[N-]N=N1	REAL000000001134	1	48	-1.0	-58.04	415.62	5.47	-52.57
CCCC(NC(=O)CC1=CSC(COC2=CC=C(C)C=C2)=N1)C1=NNN=N1	REAL000000001134	1	49	0.0	-18.46	419.06	5.49	-12.97
CCCC(NC(=O)C1=CNC2=CC([N+](=O)[O-])=CC=C12)C1=NN=N[N-]1	REAL000000001135	0	38	-1.0	-52.30	334.88	4.30	-48.00
CCCC(NC(=O)C1=CNC2=CC([N+](=O)[O-])=CC=C12)C1=N[N-]N=N1	REAL000000001135	1	38	-1.0	-52.29	334.82	4.30	-47.99
CCCC(NC(=O)C1=CNC2=CC([N+](=O)[O-])=CC=C12)C1=NNN=N1	REAL000000001135	1	39	0.0	-19.12	338.26	4.31	-14.81
CCCC(NC(=O)CN1C=NC2=C(C(C)=C(C)S2)C1=O)C1=NN=N[N-]1	REAL000000001136	0	43	-1.0	-61.21	373.01	5.35	-55.87
CCCC(NC(=O)CN1C=NC2=C(C(C)=C(C)S2)C1=O)C1=N[N-]N=N1	REAL000000001136	1	43	-1.0	-61.21	372.95	5.34	-55.87
CCCC(NC(=O)CN1C=NC2=C(C(C)=C(C)S2)C1=O)C1=NNN=N1	REAL000000001136	1	44	0.0	-23.02	376.39	5.35	-17.66
CCCC(NC(=O)CC1=CC=C(C)C(OC)=C1)C1=NN=N[N-]1	REAL000000001137	0	42	-1.0	-48.02	348.56	4.38	-43.64
CCCC(NC(=O)CC1=CC=C(C)C(OC)=C1)C1=N[N-]N=N1	REAL000000001137	1	42	-1.0	-48.02	348.50	4.37	-43.65
CCCC(NC(=O)CC1=CC=C(C)C(OC)=C1)C1=NNN=N1	REAL000000001137	1	43	0.0	-13.14	351.94	4.38	-8.76
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC(SC)=C2)C1)C1=NN=N[N-]1	REAL000000001138	0	47	-1.0	-63.34	393.76	5.63	-57.71
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC(SC)=C2)C1)C1=N[N-]N=N1	REAL000000001138	1	47	-1.0	-63.33	393.70	5.63	-57.70
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC(SC)=C2)C1)C1=NNN=N1	REAL000000001138	1	48	0.0	-21.14	397.14	5.64	-15.49
CCCC(NC(=O)C1CC2=CC=CC=C2C(=O)O1)C1=NN=N[N-]1	REAL000000001139	0	39	-1.0	-51.04	333.45	5.34	-45.69
CCCC(NC(=O)C1CC2=CC=CC=C2C(=O)O1)C1=N[N-]N=N1	REAL000000001139	1	39	-1.0	-51.03	333.39	5.33	-45.70
CCCC(NC(=O)C1CC2=CC=CC=C2C(=O)O1)C1=NNN=N1	REAL000000001139	1	40	0.0	-18.94	336.83	5.35	-13.59
CCCC(NC(=O)C1CC(=O)N(C2CCCC2)C1)C1=NN=N[N-]1	REAL000000001140	0	46	-1.0	-48.56	363.18	4.04	-44.52
CCCC(NC(=O)C1CC(=O)N(C2CCCC2)C1)C1=N[N-]N=N1	REAL000000001140	1	46	-1.0	-48.55	363.13	4.04	-44.51
CCCC(NC(=O)C1CC(=O)N(C2CCCC2)C1)C1=NNN=N1	REAL000000001140	1	47	0.0	-11.53	358.52	3.69	-7.84
CCCC(NC(=O)C1=CC(S(=O)(=O)N(CC)CC)=CN1C)C1=NN=N[N-]1	REAL000000001141	0	50	-1.0	-48.87	419.48	2.77	-46.10
CCCC(NC(=O)C1=CC(S(=O)(=O)N(CC)CC)=CN1C)C1=N[N-]N=N1	REAL000000001141	1	50	-1.0	-48.86	419.42	2.76	-46.10
CCCC(NC(=O)C1=CC(S(=O)(=O)N(CC)CC)=CN1C)C1=NNN=N1	REAL000000001141	1	51	0.0	-15.81	422.77	2.79	-13.03
CCCC(NC(=O)C1=CC=C(CCNS(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL000000001142	0	46	-1.0	-56.77	395.78	1.24	-55.54
CCCC(NC(=O)C1=CC=C(CCNS(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL000000001142	1	46	-1.0	-56.77	395.72	1.23	-55.55
CCCC(NC(=O)C1=CC=C(CCNS(C)(=O)=O)C=C1)C1=NNN=N1	REAL000000001142	1	47	0.0	-21.67	399.16	1.25	-20.42
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1CS(C)(=O)=O)C1=NN=N[N-]1	REAL000000001143	0	47	-1.0	-64.90	401.73	3.71	-61.19
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1CS(C)(=O)=O)C1=N[N-]N=N1	REAL000000001143	1	47	-1.0	-64.89	401.67	3.70	-61.19
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1CS(C)(=O)=O)C1=NNN=N1	REAL000000001143	1	48	0.0	-30.08	405.11	3.72	-26.36
CCCC(NC(=O)C1=CC=C2C(=O)N(C3CCCCC3)C(=O)C2=C1)C1=NN=N[N-]1	REAL000000001144	0	52	-1.0	-47.69	418.84	6.37	-41.32
CCCC(NC(=O)C1=CC=C2C(=O)N(C3CCCCC3)C(=O)C2=C1)C1=N[N-]N=N1	REAL000000001144	1	52	-1.0	-47.68	418.78	6.37	-41.31
CCCC(NC(=O)C1=CC=C2C(=O)N(C3CCCCC3)C(=O)C2=C1)C1=NNN=N1	REAL000000001144	1	53	0.0	-15.52	422.23	6.37	-9.15
CCCC(NC(=O)CC1=COC2=CC(C)=C(C)C=C12)C1=NN=N[N-]1	REAL000000001145	0	44	-1.0	-49.76	365.88	5.92	-43.84
CCCC(NC(=O)CC1=COC2=CC(C)=C(C)C=C12)C1=N[N-]N=N1	REAL000000001145	1	44	-1.0	-49.75	365.83	5.93	-43.83
CCCC(NC(=O)CC1=COC2=CC(C)=C(C)C=C12)C1=NNN=N1	REAL000000001145	1	45	0.0	-12.31	362.07	5.61	-6.70
CCCC(NC(=O)C1=CC2=C(S1)C1=CC=CC=C1CC2)C1=NN=N[N-]1	REAL000000001146	0	43	-1.0	-47.33	368.36	7.41	-39.91
CCCC(NC(=O)C1=CC2=C(S1)C1=CC=CC=C1CC2)C1=N[N-]N=N1	REAL000000001146	1	43	-1.0	-47.33	368.30	7.40	-39.92
CCCC(NC(=O)C1=CC2=C(S1)C1=CC=CC=C1CC2)C1=NNN=N1	REAL000000001146	1	44	0.0	-8.41	364.55	7.09	-1.32
CCCC(NC(=O)C1=CC2=C(S1)C1=CC=CC=C1OC2)C1=NN=N[N-]1	REAL000000001147	0	41	-1.0	-47.10	359.73	5.60	-41.50
CCCC(NC(=O)C1=CC2=C(S1)C1=CC=CC=C1OC2)C1=N[N-]N=N1	REAL000000001147	1	41	-1.0	-47.10	359.67	5.59	-41.51
CCCC(NC(=O)C1=CC2=C(S1)C1=CC=CC=C1OC2)C1=NNN=N1	REAL000000001147	1	42	0.0	-12.07	363.10	5.61	-6.46
CCCC(NC(=O)C1=CC=C(S(=O)(=O)C(F)F)C=C1)C1=NN=N[N-]1	REAL000000001148	0	38	-1.0	-49.93	348.19	1.58	-48.35
CCCC(NC(=O)C1=CC=C(S(=O)(=O)C(F)F)C=C1)C1=N[N-]N=N1	REAL000000001148	1	38	-1.0	-49.91	348.13	1.58	-48.33
CCCC(NC(=O)C1=CC=C(S(=O)(=O)C(F)F)C=C1)C1=NNN=N1	REAL000000001148	1	39	0.0	-12.81	344.37	1.27	-11.55
CCCC(NC(=O)C1=C(C)OC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL000000001149	0	41	-1.0	-46.00	352.51	2.93	-43.07
CCCC(NC(=O)C1=C(C)OC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL000000001149	1	41	-1.0	-46.00	352.45	2.92	-43.08
CCCC(NC(=O)C1=C(C)OC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000001149	1	42	0.0	-8.59	348.71	2.60	-5.99
CCCC(NC(=O)CCCC1=NC2=CC=CC=C2C(=O)N1)C1=NN=N[N-]1	REAL000000001150	0	46	-1.0	-55.60	386.45	4.39	-51.21
CCCC(NC(=O)CCCC1=NC2=CC=CC=C2C(=O)N1)C1=N[N-]N=N1	REAL000000001150	1	46	-1.0	-55.60	386.39	4.40	-51.20
CCCC(NC(=O)CCCC1=NC2=CC=CC=C2C(=O)N1)C1=NNN=N1	REAL000000001150	1	47	0.0	-17.57	382.63	4.08	-13.50
CCCC(NC(=O)C1=CC=C(CCNS(C)(=O)=O)S1)C1=NN=N[N-]1	REAL000000001151	0	43	-1.0	-54.77	388.36	0.38	-54.39
CCCC(NC(=O)C1=CC=C(CCNS(C)(=O)=O)S1)C1=N[N-]N=N1	REAL000000001151	1	43	-1.0	-54.78	388.30	0.37	-54.41
CCCC(NC(=O)C1=CC=C(CCNS(C)(=O)=O)S1)C1=NNN=N1	REAL000000001151	1	44	0.0	-16.79	384.53	0.06	-16.73
CCCC(NC(=O)CCC1=C(C)N(C)N=C1C)C1=NN=N[N-]1	REAL000000001152	0	44	-1.0	-46.92	362.26	3.93	-42.99
CCCC(NC(=O)CCC1=C(C)N(C)N=C1C)C1=N[N-]N=N1	REAL000000001152	1	44	-1.0	-46.92	362.21	3.92	-43.00
CCCC(NC(=O)CCC1=C(C)N(C)N=C1C)C1=NNN=N1	REAL000000001152	1	45	0.0	-14.12	365.64	3.94	-10.18
CCCC(NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)C1=NN=N[N-]1	REAL000000001153	0	47	-1.0	-53.39	379.36	2.40	-50.99
CCCC(NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)C1=N[N-]N=N1	REAL000000001153	1	47	-1.0	-53.38	379.30	2.39	-51.00
CCCC(NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)C1=NNN=N1	REAL000000001153	1	48	0.0	-12.69	375.55	2.07	-10.62
CCCC(NC(=O)CN1C(=O)NC2(CCCC3=CC=CC=C32)C1=O)C1=NN=N[N-]1	REAL000000001154	0	51	-1.0	-57.81	415.21	4.15	-53.65
CCCC(NC(=O)CN1C(=O)NC2(CCCC3=CC=CC=C32)C1=O)C1=N[N-]N=N1	REAL000000001154	1	51	-1.0	-57.81	415.15	4.15	-53.67
CCCC(NC(=O)CN1C(=O)NC2(CCCC3=CC=CC=C32)C1=O)C1=NNN=N1	REAL000000001154	1	52	0.0	-18.10	418.58	4.16	-13.93
CCCC(NC(=O)CN1C(=O)NC(C)(C2=CC=CC=C2)C1=O)C1=NN=N[N-]1	REAL000000001155	0	47	-1.0	-54.68	394.10	3.40	-51.28
CCCC(NC(=O)CN1C(=O)NC(C)(C2=CC=CC=C2)C1=O)C1=N[N-]N=N1	REAL000000001155	1	47	-1.0	-54.68	394.04	3.40	-51.28
CCCC(NC(=O)CN1C(=O)NC(C)(C2=CC=CC=C2)C1=O)C1=NNN=N1	REAL000000001155	1	48	0.0	-17.29	397.52	3.41	-13.88
CCCC(NC(=O)CN1C(=O)NC(C)(C2=CC=C(C)C=C2)C1=O)C1=NN=N[N-]1	REAL000000001156	0	50	-1.0	-54.77	415.53	4.03	-50.74
CCCC(NC(=O)CN1C(=O)NC(C)(C2=CC=C(C)C=C2)C1=O)C1=N[N-]N=N1	REAL000000001156	1	50	-1.0	-54.77	415.47	4.02	-50.75
CCCC(NC(=O)CN1C(=O)NC(C)(C2=CC=C(C)C=C2)C1=O)C1=NNN=N1	REAL000000001156	1	51	0.0	-13.25	411.69	3.71	-9.54
CCCC(NC(=O)CN1C(=O)NC(C)(C2CC2)C1=O)C1=NN=N[N-]1	REAL000000001157	0	44	-1.0	-52.48	368.69	2.32	-50.17
CCCC(NC(=O)CN1C(=O)NC(C)(C2CC2)C1=O)C1=N[N-]N=N1	REAL000000001157	1	44	-1.0	-52.48	368.63	2.32	-50.16
CCCC(NC(=O)CN1C(=O)NC(C)(C2CC2)C1=O)C1=NNN=N1	REAL000000001157	1	45	0.0	-16.00	372.06	2.32	-13.67
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(OC)C=C2OC)C1)C1=NN=N[N-]1	REAL000000001158	0	51	-1.0	-49.04	420.45	3.58	-45.46
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(OC)C=C2OC)C1)C1=N[N-]N=N1	REAL000000001158	1	51	-1.0	-49.04	420.39	3.58	-45.46
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(OC)C=C2OC)C1)C1=NNN=N1	REAL000000001158	1	52	0.0	-17.25	416.54	3.27	-13.98
CCCC(NC(=O)C=CC1=CC=C(C2CC2C)O1)C1=NN=N[N-]1	REAL000000001159	0	43	-1.0	-48.39	361.65	6.00	-42.39
CCCC(NC(=O)C=CC1=CC=C(C2CC2C)O1)C1=N[N-]N=N1	REAL000000001159	1	43	-1.0	-48.39	361.59	6.00	-42.40
CCCC(NC(=O)C=CC1=CC=C(C2CC2C)O1)C1=NNN=N1	REAL000000001159	1	44	0.0	-12.33	365.02	6.01	-6.33
CCCC(NC(=O)COC1=CC=C(C#N)C=C1OC)C1=NN=N[N-]1	REAL000000001160	0	41	-1.0	-53.15	357.94	4.38	-48.77
CCCC(NC(=O)COC1=CC=C(C#N)C=C1OC)C1=N[N-]N=N1	REAL000000001160	1	41	-1.0	-53.15	357.88	4.38	-48.77
CCCC(NC(=O)COC1=CC=C(C#N)C=C1OC)C1=NNN=N1	REAL000000001160	1	42	0.0	-19.51	361.30	4.40	-15.10
CCCC(NC(=O)CN1C=NC2=C(C)C=CC=C2C1=O)C1=NN=N[N-]1	REAL000000001161	0	43	-1.0	-51.64	364.78	5.66	-45.98
CCCC(NC(=O)CN1C=NC2=C(C)C=CC=C2C1=O)C1=N[N-]N=N1	REAL000000001161	1	43	-1.0	-51.64	364.73	5.66	-45.98
CCCC(NC(=O)CN1C=NC2=C(C)C=CC=C2C1=O)C1=NNN=N1	REAL000000001161	1	44	0.0	-17.92	360.97	5.35	-12.57
CCCC(NC(=O)C1=CN(CC)C2=CC=CC=C12)C1=NN=N[N-]1	REAL000000001162	0	42	-1.0	-55.11	351.00	6.25	-48.86
CCCC(NC(=O)C1=CN(CC)C2=CC=CC=C12)C1=N[N-]N=N1	REAL000000001162	1	42	-1.0	-55.11	350.94	6.24	-48.87
CCCC(NC(=O)C1=CN(CC)C2=CC=CC=C12)C1=NNN=N1	REAL000000001162	1	43	0.0	-16.71	354.38	6.26	-10.45
CCCC(NC(=O)C1=CN(CC2=CC=CC=C2)C2=CC=CC=C12)C1=NN=N[N-]1	REAL000000001163	0	49	-1.0	-55.32	408.66	9.17	-46.16
CCCC(NC(=O)C1=CN(CC2=CC=CC=C2)C2=CC=CC=C12)C1=N[N-]N=N1	REAL000000001163	1	49	-1.0	-55.33	408.60	9.17	-46.16
CCCC(NC(=O)C1=CN(CC2=CC=CC=C2)C2=CC=CC=C12)C1=NNN=N1	REAL000000001163	1	50	0.0	-13.43	404.86	8.84	-4.59
CCCC(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)C=C1)C1=NN=N[N-]1	REAL000000001164	0	43	-1.0	-45.64	369.37	6.57	-39.07
CCCC(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)C=C1)C1=N[N-]N=N1	REAL000000001164	1	43	-1.0	-45.64	369.31	6.56	-39.08
CCCC(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)C=C1)C1=NNN=N1	REAL000000001164	1	44	0.0	-11.63	372.80	6.58	-5.05
CCCC(NC(=O)C1=CC=CC(OCC2=CSC(C)=N2)=C1)C1=NN=N[N-]1	REAL000000001165	0	45	-1.0	-50.78	390.65	4.75	-46.03
CCCC(NC(=O)C1=CC=CC(OCC2=CSC(C)=N2)=C1)C1=N[N-]N=N1	REAL000000001165	1	45	-1.0	-50.78	390.60	4.75	-46.03
CCCC(NC(=O)C1=CC=CC(OCC2=CSC(C)=N2)=C1)C1=NNN=N1	REAL000000001165	1	46	0.0	-14.64	394.03	4.76	-9.88
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCOCC2)=CN1C)C1=NN=N[N-]1	REAL000000001166	0	49	-1.0	-51.18	409.44	0.61	-50.57
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCOCC2)=CN1C)C1=N[N-]N=N1	REAL000000001166	1	49	-1.0	-51.18	409.38	0.61	-50.57
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCOCC2)=CN1C)C1=NNN=N1	REAL000000001166	1	50	0.0	-16.02	412.96	0.61	-15.41
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)N=C1C)C1=NN=N[N-]1	REAL000000001167	0	44	-1.0	-47.71	362.40	6.17	-41.54
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)N=C1C)C1=N[N-]N=N1	REAL000000001167	1	44	-1.0	-47.72	362.34	6.16	-41.55
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)N=C1C)C1=NNN=N1	REAL000000001167	1	45	0.0	-13.05	365.78	6.18	-6.87
CCCC(NC(=O)CCC1=C(C)N2N=C3C=CC=CC3=C2N=C1C)C1=NN=N[N-]1	REAL000000001168	0	52	-1.0	-48.82	423.41	7.17	-41.65
CCCC(NC(=O)CCC1=C(C)N2N=C3C=CC=CC3=C2N=C1C)C1=N[N-]N=N1	REAL000000001168	1	52	-1.0	-48.81	423.35	7.16	-41.64
CCCC(NC(=O)CCC1=C(C)N2N=C3C=CC=CC3=C2N=C1C)C1=NNN=N1	REAL000000001168	1	53	0.0	-18.90	426.78	7.18	-11.71
CCCC(NC(=O)CCC1=CC=C(C2CC2C)O1)C1=NN=N[N-]1	REAL000000001169	0	45	-1.0	-46.60	373.21	6.33	-40.27
CCCC(NC(=O)CCC1=CC=C(C2CC2C)O1)C1=N[N-]N=N1	REAL000000001169	1	45	-1.0	-46.59	373.15	6.33	-40.27
CCCC(NC(=O)CCC1=CC=C(C2CC2C)O1)C1=NNN=N1	REAL000000001169	1	46	0.0	-10.62	376.59	6.34	-4.28
CCCC(NC(=O)CCN1N=NC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL000000001170	0	42	-1.0	-50.21	361.89	2.46	-47.75
CCCC(NC(=O)CCN1N=NC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL000000001170	1	42	-1.0	-50.22	361.83	2.46	-47.75
CCCC(NC(=O)CCN1N=NC2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000001170	1	43	0.0	-15.79	365.26	2.47	-13.32
CCCC(NC(=O)CC1=COC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL000000001171	0	41	-1.0	-53.39	354.82	2.92	-50.47
CCCC(NC(=O)CC1=COC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL000000001171	1	41	-1.0	-53.37	354.77	2.92	-50.45
CCCC(NC(=O)CC1=COC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000001171	1	42	0.0	-19.03	358.21	2.93	-16.10
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000001172	0	38	-1.0	-44.74	332.99	4.67	-40.08
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000001172	1	38	-1.0	-44.75	332.93	4.66	-40.09
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000001172	1	39	0.0	-7.85	329.19	4.34	-3.51
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(C)=N1)C1=NN=N[N-]1	REAL000000001173	0	41	-1.0	-52.94	355.99	5.22	-47.72
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(C)=N1)C1=N[N-]N=N1	REAL000000001173	1	41	-1.0	-52.94	355.93	5.22	-47.71
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(C)=N1)C1=NNN=N1	REAL000000001173	1	42	0.0	-15.38	359.40	5.23	-10.15
CCCC(NC(=O)C1=CC=C2C(=C1)CCN2C(C)=O)C1=NN=N[N-]1	REAL000000001174	0	43	-1.0	-49.73	350.84	4.56	-45.17
CCCC(NC(=O)C1=CC=C2C(=C1)CCN2C(C)=O)C1=N[N-]N=N1	REAL000000001174	1	43	-1.0	-49.73	350.78	4.56	-45.17
CCCC(NC(=O)C1=CC=C2C(=C1)CCN2C(C)=O)C1=NNN=N1	REAL000000001174	1	44	0.0	-14.06	349.34	4.38	-9.68
CCCC(NC(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C1=NN=N[N-]1	REAL000000001175	0	44	-1.0	-57.61	370.70	2.18	-55.43
CCCC(NC(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C1=N[N-]N=N1	REAL000000001175	1	44	-1.0	-57.61	370.65	2.17	-55.44
CCCC(NC(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C1=NNN=N1	REAL000000001175	1	45	0.0	-21.30	374.08	2.19	-19.11
CCCC(NC(=O)CN1N=NC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL000000001176	0	39	-1.0	-54.83	340.86	1.94	-52.89
CCCC(NC(=O)CN1N=NC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL000000001176	1	39	-1.0	-54.83	340.80	1.94	-52.90
CCCC(NC(=O)CN1N=NC2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000001176	1	40	0.0	-19.44	344.24	1.95	-17.49
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(OC)C=C2)S1)C1=NN=N[N-]1	REAL000000001177	0	45	-1.0	-46.24	387.65	4.48	-41.75
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(OC)C=C2)S1)C1=N[N-]N=N1	REAL000000001177	1	45	-1.0	-46.24	387.59	4.47	-41.77
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(OC)C=C2)S1)C1=NNN=N1	REAL000000001177	1	46	0.0	-11.97	391.02	4.49	-7.48
CCCC(NC(=O)C1CCCN(S(=O)(=O)C2=CC=CS2)C1)C1=NN=N[N-]1	REAL000000001178	0	47	-1.0	-53.86	403.99	2.50	-51.36
CCCC(NC(=O)C1CCCN(S(=O)(=O)C2=CC=CS2)C1)C1=N[N-]N=N1	REAL000000001178	1	47	-1.0	-53.86	403.93	2.49	-51.37
CCCC(NC(=O)C1CCCN(S(=O)(=O)C2=CC=CS2)C1)C1=NNN=N1	REAL000000001178	1	48	0.0	-17.05	407.81	2.49	-14.56
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1CSC)C1=NN=N[N-]1	REAL000000001179	0	45	-1.0	-53.54	390.83	6.20	-47.34
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1CSC)C1=N[N-]N=N1	REAL000000001179	1	45	-1.0	-53.54	390.77	6.21	-47.34
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1CSC)C1=NNN=N1	REAL000000001179	1	46	0.0	-19.56	394.20	6.21	-13.35
CCCC(NC(=O)CCN1C=NC2=C1C(=O)N(C)C(=O)N2C)C1=NN=N[N-]1	REAL000000001180	0	47	-1.0	-47.35	394.48	4.98	-42.38
CCCC(NC(=O)CCN1C=NC2=C1C(=O)N(C)C(=O)N2C)C1=N[N-]N=N1	REAL000000001180	1	47	-1.0	-47.35	394.43	4.98	-42.37
CCCC(NC(=O)CCN1C=NC2=C1C(=O)N(C)C(=O)N2C)C1=NNN=N1	REAL000000001180	1	48	0.0	-19.19	397.85	4.99	-14.20
CCCC(NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)C1=NN=N[N-]1	REAL000000001181	0	50	-1.0	-54.14	395.37	2.66	-51.48
CCCC(NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)C1=N[N-]N=N1	REAL000000001181	1	50	-1.0	-54.14	395.31	2.65	-51.49
CCCC(NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)C1=NNN=N1	REAL000000001181	1	51	0.0	-16.33	398.75	2.67	-13.66
CCCC(NC(=O)C1=CC2=C(Cl)C=CC=C2S1)C1=NN=N[N-]1	REAL000000001182	0	35	-1.0	-47.62	329.33	5.54	-42.09
CCCC(NC(=O)C1=CC2=C(Cl)C=CC=C2S1)C1=N[N-]N=N1	REAL000000001182	1	35	-1.0	-47.62	329.27	5.53	-42.09
CCCC(NC(=O)C1=CC2=C(Cl)C=CC=C2S1)C1=NNN=N1	REAL000000001182	1	36	0.0	-11.41	332.71	5.54	-5.87
CCCC(NC(=O)CCN1C(=O)N(CCC)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000001183	0	51	-1.0	-55.13	422.90	7.26	-47.88
CCCC(NC(=O)CCN1C(=O)N(CCC)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000001183	1	51	-1.0	-55.13	422.84	7.25	-47.88
CCCC(NC(=O)CCN1C(=O)N(CCC)C2=CC=CC=C21)C1=NNN=N1	REAL000000001183	1	52	0.0	-13.68	419.09	6.93	-6.75
CCCC(NC(=O)CN1N=NC(C2=CC=C(C)C=C2)=N1)C1=NN=N[N-]1	REAL000000001184	0	43	-1.0	-53.82	372.06	3.99	-49.83
CCCC(NC(=O)CN1N=NC(C2=CC=C(C)C=C2)=N1)C1=N[N-]N=N1	REAL000000001184	1	43	-1.0	-53.82	372.01	3.99	-49.83
CCCC(NC(=O)CN1N=NC(C2=CC=C(C)C=C2)=N1)C1=NNN=N1	REAL000000001184	1	44	0.0	-19.13	375.44	4.00	-15.13
CCCC(NC(=O)CCC1=NC(C2=CC=CS2)=NO1)C1=NN=N[N-]1	REAL000000001185	0	40	-1.0	-45.84	362.18	2.79	-43.05
CCCC(NC(=O)CCC1=NC(C2=CC=CS2)=NO1)C1=N[N-]N=N1	REAL000000001185	1	40	-1.0	-45.84	362.12	2.78	-43.06
CCCC(NC(=O)CCC1=NC(C2=CC=CS2)=NO1)C1=NNN=N1	REAL000000001185	1	41	0.0	-13.46	365.56	2.80	-10.66
CCCC(NC(=O)CC1=CC(Cl)=CC=C1OC)C1=NN=N[N-]1	REAL000000001186	0	39	-1.0	-47.27	344.01	4.21	-43.06
CCCC(NC(=O)CC1=CC(Cl)=CC=C1OC)C1=N[N-]N=N1	REAL000000001186	1	39	-1.0	-47.27	343.96	4.20	-43.08
CCCC(NC(=O)CC1=CC(Cl)=CC=C1OC)C1=NNN=N1	REAL000000001186	1	40	0.0	-12.15	347.40	4.22	-7.93
CCCC(NC(=O)C=CC1=CC=C(OCC(N)=O)C=C1)C1=NN=N[N-]1	REAL000000001187	0	44	-1.0	-55.87	376.89	2.26	-53.61
CCCC(NC(=O)C=CC1=CC=C(OCC(N)=O)C=C1)C1=N[N-]N=N1	REAL000000001187	1	44	-1.0	-55.87	376.83	2.26	-53.61
CCCC(NC(=O)C=CC1=CC=C(OCC(N)=O)C=C1)C1=NNN=N1	REAL000000001187	1	45	0.0	-21.45	380.27	2.27	-19.17
CCCC(NC(=O)C1=NN(CCOC)C(=O)C=C1)C1=NN=N[N-]1	REAL000000001188	0	41	-1.0	-43.94	352.03	0.77	-43.16
CCCC(NC(=O)C1=NN(CCOC)C(=O)C=C1)C1=N[N-]N=N1	REAL000000001188	1	41	-1.0	-43.93	351.97	0.77	-43.16
CCCC(NC(=O)C1=NN(CCOC)C(=O)C=C1)C1=NNN=N1	REAL000000001188	1	42	0.0	-9.85	348.22	0.45	-9.41
CCCC(NC(=O)C1=CC=C(C2=CC=C(Cl)C=C2)S1)C1=NN=N[N-]1	REAL000000001189	0	39	-1.0	-45.51	361.19	6.85	-38.66
CCCC(NC(=O)C1=CC=C(C2=CC=C(Cl)C=C2)S1)C1=N[N-]N=N1	REAL000000001189	1	39	-1.0	-45.51	361.14	6.84	-38.67
CCCC(NC(=O)C1=CC=C(C2=CC=C(Cl)C=C2)S1)C1=NNN=N1	REAL000000001189	1	40	0.0	-10.30	364.57	6.85	-3.46
CCCC(NC(=O)C1=CC=C(C2=CC=C3OCCOC3=C2)S1)C1=NN=N[N-]1	REAL000000001190	0	45	-1.0	-49.21	388.94	5.48	-43.72
CCCC(NC(=O)C1=CC=C(C2=CC=C3OCCOC3=C2)S1)C1=N[N-]N=N1	REAL000000001190	1	45	-1.0	-49.20	388.88	5.49	-43.72
CCCC(NC(=O)C1=CC=C(C2=CC=C3OCCOC3=C2)S1)C1=NNN=N1	REAL000000001190	1	46	0.0	-13.13	392.32	5.49	-7.63
CCCC(NC(=O)C1=CC2=C(F)C=CC=C2S1)C1=NN=N[N-]1	REAL000000001191	0	35	-1.0	-48.57	319.83	5.11	-43.46
CCCC(NC(=O)C1=CC2=C(F)C=CC=C2S1)C1=N[N-]N=N1	REAL000000001191	1	35	-1.0	-48.57	319.77	5.11	-43.46
CCCC(NC(=O)C1=CC2=C(F)C=CC=C2S1)C1=NNN=N1	REAL000000001191	1	36	0.0	-12.18	323.21	5.12	-7.06
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL000000001192	0	39	-1.0	-46.50	344.48	6.33	-40.17
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL000000001192	1	39	-1.0	-46.50	344.42	6.33	-40.18
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)S1)C1=NNN=N1	REAL000000001192	1	40	0.0	-10.41	347.86	6.34	-4.07
CCCC(NC(=O)CC1=CSC(C2=CC=CC(F)=C2)=N1)C1=NN=N[N-]1	REAL000000001193	0	41	-1.0	-59.70	369.08	5.35	-54.35
CCCC(NC(=O)CC1=CSC(C2=CC=CC(F)=C2)=N1)C1=N[N-]N=N1	REAL000000001193	1	41	-1.0	-59.70	369.02	5.35	-54.35
CCCC(NC(=O)CC1=CSC(C2=CC=CC(F)=C2)=N1)C1=NNN=N1	REAL000000001193	1	42	0.0	-16.27	372.46	5.36	-10.91
CCCC(NC(=O)CC1=CSC(C2=CC=C(Cl)C=C2)=N1)C1=NN=N[N-]1	REAL000000001194	0	41	-1.0	-53.68	379.35	5.80	-47.89
CCCC(NC(=O)CC1=CSC(C2=CC=C(Cl)C=C2)=N1)C1=N[N-]N=N1	REAL000000001194	1	41	-1.0	-53.68	379.29	5.80	-47.88
CCCC(NC(=O)CC1=CSC(C2=CC=C(Cl)C=C2)=N1)C1=NNN=N1	REAL000000001194	1	42	0.0	-13.82	382.77	5.80	-8.02
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL000000001195	0	38	-1.0	-45.50	333.33	3.25	-42.25
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL000000001195	1	38	-1.0	-45.50	333.27	3.25	-42.26
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000001195	1	39	0.0	-11.00	336.70	3.26	-7.73
CCCC(NC(=O)C1=C(C)C2=C(CC(C)(C)CC2=O)N1)C1=NN=N[N-]1	REAL000000001196	0	48	-1.0	-53.91	380.45	4.59	-49.32
CCCC(NC(=O)C1=C(C)C2=C(CC(C)(C)CC2=O)N1)C1=N[N-]N=N1	REAL000000001196	1	48	-1.0	-53.90	380.40	4.59	-49.31
CCCC(NC(=O)C1=C(C)C2=C(CC(C)(C)CC2=O)N1)C1=NNN=N1	REAL000000001196	1	49	0.0	-14.79	376.19	4.27	-10.52
CCCC(NC(=O)C1=C(C)C(C(=O)OC(C)C)=C(C)N1)C1=NN=N[N-]1	REAL000000001197	0	48	-1.0	-49.98	399.30	5.03	-44.95
CCCC(NC(=O)C1=C(C)C(C(=O)OC(C)C)=C(C)N1)C1=N[N-]N=N1	REAL000000001197	1	48	-1.0	-49.98	399.24	5.02	-44.96
CCCC(NC(=O)C1=C(C)C(C(=O)OC(C)C)=C(C)N1)C1=NNN=N1	REAL000000001197	1	49	0.0	-15.49	402.68	5.04	-10.45
CCCC(NC(=O)C1=C(C)C(C(=O)OC)=C(CC)N1)C1=NN=N[N-]1	REAL000000001198	0	45	-1.0	-48.21	378.86	4.13	-44.08
CCCC(NC(=O)C1=C(C)C(C(=O)OC)=C(CC)N1)C1=N[N-]N=N1	REAL000000001198	1	45	-1.0	-48.20	378.80	4.13	-44.07
CCCC(NC(=O)C1=C(C)C(C(=O)OC)=C(CC)N1)C1=NNN=N1	REAL000000001198	1	46	0.0	-12.03	375.05	3.81	-8.22
CCCC(NC(=O)C1=C(C)C2=C(CCCC2=O)N1)C1=NN=N[N-]1	REAL000000001199	0	42	-1.0	-54.69	343.16	3.66	-51.03
CCCC(NC(=O)C1=C(C)C2=C(CCCC2=O)N1)C1=N[N-]N=N1	REAL000000001199	1	42	-1.0	-54.69	343.11	3.66	-51.03
CCCC(NC(=O)C1=C(C)C2=C(CCCC2=O)N1)C1=NNN=N1	REAL000000001199	1	43	0.0	-19.42	346.55	3.67	-15.75
CCCC(NC(=O)C1=CC2=CC(F)=CC=C2S1)C1=NN=N[N-]1	REAL000000001200	0	35	-1.0	-44.75	319.85	5.11	-39.64
CCCC(NC(=O)C1=CC2=CC(F)=CC=C2S1)C1=N[N-]N=N1	REAL000000001200	1	35	-1.0	-44.75	319.79	5.11	-39.64
CCCC(NC(=O)C1=CC2=CC(F)=CC=C2S1)C1=NNN=N1	REAL000000001200	1	36	0.0	-10.02	323.23	5.12	-4.90
CCCC(NC(=O)CC1=CSC(C2=CC=CC=N2)=N1)C1=NN=N[N-]1	REAL000000001201	0	40	-1.0	-63.18	358.04	3.40	-59.78
CCCC(NC(=O)CC1=CSC(C2=CC=CC=N2)=N1)C1=N[N-]N=N1	REAL000000001201	1	40	-1.0	-63.18	357.98	3.40	-59.78
CCCC(NC(=O)CC1=CSC(C2=CC=CC=N2)=N1)C1=NNN=N1	REAL000000001201	1	41	0.0	-17.47	354.27	3.07	-14.40
CCCC(NC(=O)C1=CC=C(CN2N=NC3=CC=CC=C32)C=C1)C1=NN=N[N-]1	REAL000000001202	0	47	-1.0	-54.84	399.78	5.98	-48.86
CCCC(NC(=O)C1=CC=C(CN2N=NC3=CC=CC=C32)C=C1)C1=N[N-]N=N1	REAL000000001202	1	47	-1.0	-54.84	399.72	5.97	-48.87
CCCC(NC(=O)C1=CC=C(CN2N=NC3=CC=CC=C32)C=C1)C1=NNN=N1	REAL000000001202	1	48	0.0	-20.54	403.12	5.97	-14.57
CCCC(NC(=O)C1=CC=C(Br)C=C1F)C1=NN=N[N-]1	REAL000000001203	0	32	-1.0	-47.38	300.19	4.34	-43.03
CCCC(NC(=O)C1=CC=C(Br)C=C1F)C1=N[N-]N=N1	REAL000000001203	1	32	-1.0	-47.38	300.13	4.33	-43.04
CCCC(NC(=O)C1=CC=C(Br)C=C1F)C1=NNN=N1	REAL000000001203	1	33	0.0	-12.85	303.57	4.35	-8.49
CCCCC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000001204	0	44	-1.0	-46.72	360.24	6.65	-40.08
CCCCC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000001204	1	44	-1.0	-46.71	360.18	6.64	-40.07
CCCCC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000001204	1	45	0.0	-7.27	356.41	6.33	-0.95
CCCC(NC(=O)C1=CC=C2CC3=CC=CC=C3C2=C1)C1=NN=N[N-]1	REAL000000001205	0	43	-1.0	-51.52	358.56	7.74	-43.78
CCCC(NC(=O)C1=CC=C2CC3=CC=CC=C3C2=C1)C1=N[N-]N=N1	REAL000000001205	1	43	-1.0	-51.51	358.50	7.74	-43.78
CCCC(NC(=O)C1=CC=C2CC3=CC=CC=C3C2=C1)C1=NNN=N1	REAL000000001205	1	44	0.0	-10.64	354.75	7.42	-3.22
CCCC(NC(=O)CN1C(=O)N(CC)C(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000001206	0	47	-1.0	-57.82	390.55	5.36	-52.46
CCCC(NC(=O)CN1C(=O)N(CC)C(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000001206	1	47	-1.0	-57.81	390.50	5.36	-52.45
CCCC(NC(=O)CN1C(=O)N(CC)C(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000001206	1	48	0.0	-21.00	393.93	5.37	-15.63
CCCC(NC(=O)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C(C)=CC1=O)C1=NN=N[N-]1	REAL000000001207	0	46	-1.0	-78.54	392.36	7.32	-71.22
CCCC(NC(=O)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C(C)=CC1=O)C1=N[N-]N=N1	REAL000000001207	1	46	-1.0	-78.54	392.30	7.32	-71.22
CCCC(NC(=O)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C(C)=CC1=O)C1=NNN=N1	REAL000000001207	1	47	0.0	-31.76	396.25	7.33	-24.44
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C(C)=CC1=O)C1=NN=N[N-]1	REAL000000001208	0	44	-1.0	-64.27	382.11	6.55	-57.72
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C(C)=CC1=O)C1=N[N-]N=N1	REAL000000001208	1	44	-1.0	-64.28	382.05	6.55	-57.73
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C(C)=CC1=O)C1=NNN=N1	REAL000000001208	1	45	0.0	-19.42	377.99	6.08	-13.33
CCCC(NC(=O)CC1=CSC(NC(=O)C2=CC=CS2)=N1)C1=NN=N[N-]1	REAL000000001209	0	42	-1.0	-52.05	386.59	3.57	-48.48
CCCC(NC(=O)CC1=CSC(NC(=O)C2=CC=CS2)=N1)C1=N[N-]N=N1	REAL000000001209	1	42	-1.0	-52.05	386.54	3.56	-48.49
CCCC(NC(=O)CC1=CSC(NC(=O)C2=CC=CS2)=N1)C1=NNN=N1	REAL000000001209	1	43	0.0	-14.26	382.79	3.25	-11.01
CCCC(NC(=O)CC1=CSC(NC(=O)C2=CC=CO2)=N1)C1=NN=N[N-]1	REAL000000001210	0	42	-1.0	-53.12	378.67	2.57	-50.55
CCCC(NC(=O)CC1=CSC(NC(=O)C2=CC=CO2)=N1)C1=N[N-]N=N1	REAL000000001210	1	42	-1.0	-53.12	378.62	2.57	-50.55
CCCC(NC(=O)CC1=CSC(NC(=O)C2=CC=CO2)=N1)C1=NNN=N1	REAL000000001210	1	43	0.0	-18.70	382.05	2.58	-16.12
CCCC(NC(=O)C1=CSC(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000001211	0	34	-1.0	-50.71	322.00	-2.43	-53.13
CCCC(NC(=O)C1=CSC(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000001211	1	34	-1.0	-50.71	321.94	-2.42	-53.13
CCCC(NC(=O)C1=CSC(S(N)(=O)=O)=C1)C1=NNN=N1	REAL000000001211	1	35	0.0	-18.53	325.31	-2.41	-20.94
CCCC(NC(=O)C=CC1=CC=C(OCC(N)=O)C(OC)=C1)C1=NN=N[N-]1	REAL000000001212	0	48	-1.0	-58.59	406.10	2.04	-56.56
CCCC(NC(=O)C=CC1=CC=C(OCC(N)=O)C(OC)=C1)C1=N[N-]N=N1	REAL000000001212	1	48	-1.0	-58.59	406.04	2.03	-56.57
CCCC(NC(=O)C=CC1=CC=C(OCC(N)=O)C(OC)=C1)C1=NNN=N1	REAL000000001212	1	49	0.0	-24.86	409.47	2.04	-22.81
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL000000001213	0	48	-1.0	-53.15	411.81	-0.73	-53.88
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL000000001213	1	48	-1.0	-53.14	411.76	-0.74	-53.88
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000001213	1	49	0.0	-19.57	415.18	-0.72	-20.28
CCCC(NC(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C1=NN=N[N-]1	REAL000000001214	0	38	-1.0	-46.19	348.02	4.52	-41.66
CCCC(NC(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C1=N[N-]N=N1	REAL000000001214	1	38	-1.0	-46.19	347.96	4.51	-41.67
CCCC(NC(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C1=NNN=N1	REAL000000001214	1	39	0.0	-8.26	344.22	4.20	-4.06
CCCC(NC(=O)C1=CSC(C2=CC=C(OC)C(OC)=C2)=N1)C1=NN=N[N-]1	REAL000000001215	0	46	-1.0	-48.52	400.26	3.70	-44.82
CCCC(NC(=O)C1=CSC(C2=CC=C(OC)C(OC)=C2)=N1)C1=N[N-]N=N1	REAL000000001215	1	46	-1.0	-48.52	400.21	3.69	-44.84
CCCC(NC(=O)C1=CSC(C2=CC=C(OC)C(OC)=C2)=N1)C1=NNN=N1	REAL000000001215	1	47	0.0	-12.89	403.64	3.71	-9.18
CCCC(NC(=O)COC1=CC=CC(N2CCCC2=O)=C1)C1=NN=N[N-]1	REAL000000001216	0	47	-1.0	-63.89	385.19	5.34	-58.54
CCCC(NC(=O)COC1=CC=CC(N2CCCC2=O)=C1)C1=N[N-]N=N1	REAL000000001216	1	47	-1.0	-63.89	385.13	5.34	-58.55
CCCC(NC(=O)COC1=CC=CC(N2CCCC2=O)=C1)C1=NNN=N1	REAL000000001216	1	48	0.0	-26.08	388.56	5.35	-20.73
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CN=C1C)C1=NN=N[N-]1	REAL000000001217	0	36	-1.0	-40.31	314.02	3.18	-37.13
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CN=C1C)C1=N[N-]N=N1	REAL000000001217	1	36	-1.0	-40.30	313.96	3.17	-37.13
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CN=C1C)C1=NNN=N1	REAL000000001217	1	37	0.0	-7.40	310.19	2.86	-4.54
CCCC(NC(=O)C1=CC(Br)=CN1)C1=NN=N[N-]1	REAL000000001218	0	30	-1.0	-46.49	283.16	2.06	-44.43
CCCC(NC(=O)C1=CC(Br)=CN1)C1=N[N-]N=N1	REAL000000001218	1	30	-1.0	-46.48	283.10	2.06	-44.42
CCCC(NC(=O)C1=CC(Br)=CN1)C1=NNN=N1	REAL000000001218	1	31	0.0	-9.17	279.33	1.74	-7.43
CCCC(NC(=O)C1=CSC(C2=CC=C(OC)C=C2)=N1)C1=NN=N[N-]1	REAL000000001219	0	42	-1.0	-47.40	371.05	3.77	-43.62
CCCC(NC(=O)C1=CSC(C2=CC=C(OC)C=C2)=N1)C1=N[N-]N=N1	REAL000000001219	1	42	-1.0	-47.39	370.99	3.76	-43.63
CCCC(NC(=O)C1=CSC(C2=CC=C(OC)C=C2)=N1)C1=NNN=N1	REAL000000001219	1	43	0.0	-10.95	374.42	3.78	-7.17
CCCC(NC(=O)C1=CN=C2SC=CN2C1=O)C1=NN=N[N-]1	REAL000000001220	0	34	-1.0	-55.04	307.85	2.95	-52.10
CCCC(NC(=O)C1=CN=C2SCCN2C1=O)C1=NN=N[N-]1	REAL000000001221	0	36	-1.0	-53.68	317.11	2.64	-51.04
CCCC(NC(=O)C1=CC2=CC(Cl)=CC=C2OC1)C1=NN=N[N-]1	REAL000000001222	0	38	-1.0	-45.81	336.99	4.66	-41.15
CCCC(NC(=O)C1=CC2=CC(Cl)=CC=C2OC1)C1=N[N-]N=N1	REAL000000001222	1	38	-1.0	-45.80	336.93	4.66	-41.14
CCCC(NC(=O)C1=CC2=CC(Cl)=CC=C2OC1)C1=NNN=N1	REAL000000001222	1	39	0.0	-7.91	333.09	4.35	-3.55
CCCC(NC(=O)C1=C(C)N(CC2=CC=CC=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000001223	0	49	-1.0	-51.16	395.04	7.90	-43.26
CCCC(NC(=O)C1=C(C)N(CC2=CC=CC=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000001223	1	49	-1.0	-51.16	394.98	7.89	-43.27
CCCC(NC(=O)C1=C(C)N(CC2=CC=CC=C2)C(C)=C1)C1=NNN=N1	REAL000000001223	1	50	0.0	-9.65	391.29	7.57	-2.08
CCCC(NC(=O)C1=CC=C(C)C(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000001224	0	40	-1.0	-55.43	343.93	-0.63	-56.06
CCCC(NC(=O)C1=CC=C(C)C(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000001224	1	40	-1.0	-55.44	343.88	-0.63	-56.07
CCCC(NC(=O)C1=CC=C(C)C(S(N)(=O)=O)=C1)C1=NNN=N1	REAL000000001224	1	41	0.0	-20.43	347.37	-0.62	-21.05
CCCC(NC(=O)CSCC1=CSC(C)=N1)C1=NN=N[N-]1	REAL000000001225	0	38	-1.0	-51.13	349.99	3.39	-47.75
CCCC(NC(=O)CSCC1=CSC(C)=N1)C1=N[N-]N=N1	REAL000000001225	1	38	-1.0	-51.13	349.93	3.39	-47.74
CCCC(NC(=O)CSCC1=CSC(C)=N1)C1=NNN=N1	REAL000000001225	1	39	0.0	-15.08	353.37	3.40	-11.68
CCCC(NC(=O)CCSC1=CC=CC=C1F)C1=NN=N[N-]1	REAL000000001226	0	39	-1.0	-45.34	344.94	5.65	-39.69
CCCC(NC(=O)CCSC1=CC=CC=C1F)C1=N[N-]N=N1	REAL000000001226	1	39	-1.0	-45.34	344.88	5.65	-39.69
CCCC(NC(=O)CCSC1=CC=CC=C1F)C1=NNN=N1	REAL000000001226	1	40	0.0	-11.77	348.32	5.66	-6.11
C#CCNS(=O)(=O)C1=CC=CC(C(=O)NC(CCC)C2=NN=N[N-]2)=C1	REAL000000001227	0	42	-1.0	-53.96	377.74	1.16	-52.80
C#CCNS(=O)(=O)C1=CC=CC(C(=O)NC(CCC)C2=N[N-]N=N2)=C1	REAL000000001227	1	42	-1.0	-53.96	377.69	1.15	-52.82
C#CCNS(=O)(=O)C1=CC=CC(C(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000001227	1	43	0.0	-19.94	381.12	1.17	-18.78
CCCC(NC(=O)C1=CC(OC)=C(OCC(N)=O)C(OC)=C1)C1=NN=N[N-]1	REAL000000001228	0	48	-1.0	-54.25	404.72	0.68	-53.57
CCCC(NC(=O)C1=CC(OC)=C(OCC(N)=O)C(OC)=C1)C1=N[N-]N=N1	REAL000000001228	1	48	-1.0	-54.25	404.67	0.67	-53.58
CCCC(NC(=O)C1=CC(OC)=C(OCC(N)=O)C(OC)=C1)C1=NNN=N1	REAL000000001228	1	49	0.0	-21.47	408.10	0.68	-20.79
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000001229	0	51	-1.0	-51.50	424.67	8.65	-42.84
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000001229	1	51	-1.0	-51.50	424.61	8.65	-42.85
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1CC1=CC=CC=C1)C1=NNN=N1	REAL000000001229	1	52	0.0	-15.56	416.07	8.12	-7.44
CCCC(NC(=O)C=CC1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000001230	0	36	-1.0	-43.77	342.35	5.87	-37.90
CCCC(NC(=O)C=CC1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000001230	1	36	-1.0	-43.76	342.29	5.86	-37.90
CCCC(NC(=O)C=CC1=CC(Cl)=CC(Cl)=C1)C1=NNN=N1	REAL000000001230	1	37	0.0	-9.92	345.73	5.88	-4.04
CCCC(NC(=O)CCC1=CC=C(OC)C(F)=C1)C1=NN=N[N-]1	REAL000000001231	0	42	-1.0	-45.97	356.11	4.51	-41.46
CCCC(NC(=O)CCC1=CC=C(OC)C(F)=C1)C1=N[N-]N=N1	REAL000000001231	1	42	-1.0	-45.96	356.05	4.51	-41.45
CCCC(NC(=O)CCC1=CC=C(OC)C(F)=C1)C1=NNN=N1	REAL000000001231	1	43	0.0	-13.90	359.48	4.51	-9.38
CCCC(NC(=O)CSC1=NC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL000000001232	0	38	-1.0	-49.31	342.98	1.76	-47.55
CCCC(NC(=O)CSC1=NC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL000000001232	1	38	-1.0	-49.30	342.92	1.76	-47.55
CCCC(NC(=O)CSC1=NC2=CC=CC=C2O1)C1=NNN=N1	REAL000000001232	1	39	0.0	-13.17	339.17	1.44	-11.73
CCCC(NC(=O)CSC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL000000001233	0	36	-1.0	-48.60	332.51	5.25	-43.35
CCCC(NC(=O)CSC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL000000001233	1	36	-1.0	-48.59	332.46	5.25	-43.34
CCCC(NC(=O)CSC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000001233	1	37	0.0	-14.28	335.89	5.26	-9.02
CCCC(NC(=O)C=CC1=CC=C(OC)C(OCC)=C1)C1=NN=N[N-]1	REAL000000001234	0	47	-1.0	-48.88	389.37	5.01	-43.87
CCCC(NC(=O)C=CC1=CC=C(OC)C(OCC)=C1)C1=N[N-]N=N1	REAL000000001234	1	47	-1.0	-48.88	389.31	5.00	-43.88
CCCC(NC(=O)C=CC1=CC=C(OC)C(OCC)=C1)C1=NNN=N1	REAL000000001234	1	48	0.0	-14.51	392.74	5.02	-9.49
CCCC(NC(=O)CCC1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL000000001235	0	42	-1.0	-45.92	349.89	4.43	-41.49
CCCC(NC(=O)CCC1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL000000001235	1	42	-1.0	-45.92	349.83	4.42	-41.50
CCCC(NC(=O)CCC1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000001235	1	43	0.0	-11.86	353.26	4.44	-7.42
CCCC(NC(=O)COC1=CC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL000000001236	0	36	-1.0	-48.54	340.65	5.27	-43.27
CCCC(NC(=O)COC1=CC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL000000001236	1	36	-1.0	-48.53	340.60	5.26	-43.27
CCCC(NC(=O)COC1=CC(Cl)=CC=C1Cl)C1=NNN=N1	REAL000000001236	1	37	0.0	-13.98	344.03	5.28	-8.71
CCCC(NC(=O)C1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL000000001237	0	32	-1.0	-41.84	306.23	4.62	-37.22
CCCC(NC(=O)C1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL000000001237	1	32	-1.0	-41.83	306.18	4.62	-37.21
CCCC(NC(=O)C1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000001237	1	33	0.0	-8.84	309.61	4.63	-4.21
CCCC(NC(=O)C1=CC(OC)=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL000000001238	0	44	-1.0	-46.68	366.14	2.84	-43.84
CCCC(NC(=O)C1=CC(OC)=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL000000001238	1	44	-1.0	-46.67	366.08	2.84	-43.83
CCCC(NC(=O)C1=CC(OC)=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000001238	1	45	0.0	-13.77	369.52	2.85	-10.92
CCCC(NC(=O)C1=CC(=O)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL000000001239	0	37	-1.0	-45.84	324.36	3.90	-41.94
CCCC(NC(=O)C1=CC(=O)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL000000001239	1	37	-1.0	-45.83	324.30	3.89	-41.94
CCCC(NC(=O)C1=CC(=O)C2=CC=CC=C2O1)C1=NNN=N1	REAL000000001239	1	38	0.0	-14.04	327.73	3.91	-10.13
CCCC(NC(=O)COC1=CC=CC=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000001240	0	46	-1.0	-51.22	386.63	7.92	-43.31
CCCC(NC(=O)COC1=CC=CC=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000001240	1	46	-1.0	-51.23	386.57	7.92	-43.31
CCCC(NC(=O)COC1=CC=CC=C1C1=CC=CC=C1)C1=NNN=N1	REAL000000001240	1	47	0.0	-15.74	390.00	7.93	-7.81
CCCC(NC(=O)CSC1=NC=CN1C1=CC=C(C(C)C)C=C1)C1=NN=N[N-]1	REAL000000001241	0	52	-1.0	-47.74	439.53	8.62	-39.12
CCCC(NC(=O)CSC1=NC=CN1C1=CC=C(C(C)C)C=C1)C1=N[N-]N=N1	REAL000000001241	1	52	-1.0	-47.74	439.47	8.61	-39.13
CCCC(NC(=O)CSC1=NC=CN1C1=CC=C(C(C)C)C=C1)C1=NNN=N1	REAL000000001241	1	53	0.0	-12.81	442.90	8.63	-4.18
CCCC(NC(=O)C1=C(C)N=C2C=C(OC)C=CC2=C1)C1=NN=N[N-]1	REAL000000001242	0	44	-1.0	-48.51	361.33	3.99	-44.53
CCCC(NC(=O)C1=C(C)N=C2C=C(OC)C=CC2=C1)C1=N[N-]N=N1	REAL000000001242	1	44	-1.0	-48.51	361.27	3.99	-44.52
CCCC(NC(=O)C1=C(C)N=C2C=C(OC)C=CC2=C1)C1=NNN=N1	REAL000000001242	1	45	0.0	-15.88	364.70	4.00	-11.89
CCCC(NC(=O)CC1=CC(OC)=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL000000001243	0	47	-1.0	-51.34	390.88	3.48	-47.85
CCCC(NC(=O)CC1=CC(OC)=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL000000001243	1	47	-1.0	-51.33	390.83	3.48	-47.85
CCCC(NC(=O)CC1=CC(OC)=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000001243	1	48	0.0	-17.94	394.26	3.49	-14.45
CCCC(NC(=O)COC1=CC(C)=CC=C1C)C1=NN=N[N-]1	REAL000000001244	0	42	-1.0	-49.01	349.38	5.60	-43.41
CCCC(NC(=O)COC1=CC(C)=CC=C1C)C1=N[N-]N=N1	REAL000000001244	1	42	-1.0	-49.01	349.32	5.60	-43.41
CCCC(NC(=O)COC1=CC(C)=CC=C1C)C1=NNN=N1	REAL000000001244	1	43	0.0	-13.86	352.76	5.61	-8.25
CCCC(NC(=O)C1=CC=C(OCC(C)C)C=C1)C1=NN=N[N-]1	REAL000000001245	0	45	-1.0	-46.31	367.21	5.39	-40.93
CCCC(NC(=O)C1=CC=C(OCC(C)C)C=C1)C1=N[N-]N=N1	REAL000000001245	1	45	-1.0	-46.31	367.16	5.39	-40.91
CCCC(NC(=O)C1=CC=C(OCC(C)C)C=C1)C1=NNN=N1	REAL000000001245	1	46	0.0	-11.21	370.59	5.40	-5.82
CCCC(NC(=O)C1=C(C)N(CC(F)(F)F)C(C)=C1)C1=NN=N[N-]1	REAL000000001246	0	42	-1.0	-51.22	355.59	5.35	-45.87
CCCC(NC(=O)C1=C(C)N(CC(F)(F)F)C(C)=C1)C1=N[N-]N=N1	REAL000000001246	1	42	-1.0	-51.22	355.53	5.34	-45.87
CCCC(NC(=O)C1=C(C)N(CC(F)(F)F)C(C)=C1)C1=NNN=N1	REAL000000001246	1	43	0.0	-12.65	358.96	5.36	-7.29
CCCC(NC(=O)CN1N=C(C2=CC=CS2)OC1=O)C1=NN=N[N-]1	REAL000000001247	0	38	-1.0	-52.59	353.42	1.22	-51.38
CCCC(NC(=O)CN1N=C(C2=CC=CS2)OC1=O)C1=N[N-]N=N1	REAL000000001247	1	38	-1.0	-52.60	353.37	1.22	-51.38
CCCC(NC(=O)CN1N=C(C2=CC=CS2)OC1=O)C1=NNN=N1	REAL000000001247	1	39	0.0	-18.67	356.80	1.23	-17.44
CCCC(NC(=O)C1=CC=CC(OCC2=CN3C=CC=CC3=N2)=C1)C1=NN=N[N-]1	REAL000000001248	0	49	-1.0	-54.84	411.49	7.46	-47.38
CCCC(NC(=O)C1=CC=CC(OCC2=CN3C=CC=CC3=N2)=C1)C1=N[N-]N=N1	REAL000000001248	1	49	-1.0	-54.85	411.43	7.45	-47.40
CCCC(NC(=O)C1=CC=CC(OCC2=CN3C=CC=CC3=N2)=C1)C1=NNN=N1	REAL000000001248	1	50	0.0	-15.21	407.67	7.14	-8.07
CCCC(NC(=O)C1=CC2=C(N=C(NC3=CC=CC=C3)S2)S1)C1=NN=N[N-]1	REAL000000001249	0	43	-1.0	-47.15	391.22	6.36	-40.79
CCCC(NC(=O)C1=CC2=C(N=C(NC3=CC=CC=C3)S2)S1)C1=N[N-]N=N1	REAL000000001249	1	43	-1.0	-47.15	391.16	6.36	-40.79
CCCC(NC(=O)C1=CC2=C(N=C(NC3=CC=CC=C3)S2)S1)C1=NNN=N1	REAL000000001249	1	44	0.0	-12.12	394.59	6.37	-5.75
CCCC(NC(=O)CNC(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000001250	0	39	-1.0	-43.14	339.72	2.21	-40.92
CCCC(NC(=O)CNC(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000001250	1	39	-1.0	-43.13	339.66	2.20	-40.93
CCCC(NC(=O)CNC(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000001250	1	40	0.0	-11.61	343.10	2.22	-9.39
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)N2CCCC2)S1)C1=NN=N[N-]1	REAL000000001251	0	47	-1.0	-54.98	413.31	2.63	-52.35
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)N2CCCC2)S1)C1=N[N-]N=N1	REAL000000001251	1	47	-1.0	-54.99	413.25	2.63	-52.36
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)N2CCCC2)S1)C1=NNN=N1	REAL000000001251	1	48	0.0	-16.15	409.52	2.31	-13.84
CCCC(NC(=O)CCNC(=O)C1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000001252	0	54	-1.0	-54.49	431.56	5.11	-49.38
CCCC(NC(=O)CCNC(=O)C1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000001252	1	54	-1.0	-54.50	431.51	5.11	-49.39
CCCC(NC(=O)CCNC(=O)C1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000001252	1	55	0.0	-16.32	427.75	4.80	-11.53
CCCC(NC(=O)CCC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000001253	0	42	-1.0	-45.70	349.88	4.43	-41.26
CCCC(NC(=O)CCC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000001253	1	42	-1.0	-45.70	349.83	4.42	-41.27
CCCC(NC(=O)CCC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000001253	1	43	0.0	-11.54	353.26	4.44	-7.09
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL000000001254	0	38	-1.0	-53.88	334.99	1.19	-52.69
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL000000001254	1	38	-1.0	-53.88	334.93	1.18	-52.70
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)C=C1)C1=NNN=N1	REAL000000001254	1	39	0.0	-18.16	338.38	1.19	-16.97
CCCC(NC(=O)CCC1=CC=C(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL000000001255	0	45	-1.0	-48.53	380.63	7.01	-41.52
CCCC(NC(=O)CCC1=CC=C(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL000000001255	1	45	-1.0	-48.52	380.57	7.00	-41.52
CCCC(NC(=O)CCC1=CC=C(C2=CC=CC=C2)O1)C1=NNN=N1	REAL000000001255	1	46	0.0	-12.01	384.01	7.02	-4.99
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C1=NN=N[N-]1	REAL000000001256	0	37	-1.0	-43.09	318.50	4.83	-38.26
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C1=N[N-]N=N1	REAL000000001256	1	37	-1.0	-43.09	318.44	4.84	-38.25
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C1=NNN=N1	REAL000000001256	1	38	0.0	-12.32	321.88	4.84	-7.48
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1Cl)C1=NN=N[N-]1	REAL000000001257	0	43	-1.0	-47.94	382.41	2.19	-45.75
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1Cl)C1=N[N-]N=N1	REAL000000001257	1	43	-1.0	-47.94	382.35	2.19	-45.75
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1Cl)C1=NNN=N1	REAL000000001257	1	44	0.0	-15.44	386.54	2.14	-13.30
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000001258	0	35	-1.0	-43.56	313.04	4.65	-38.91
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000001258	1	35	-1.0	-43.55	312.98	4.65	-38.90
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000001258	1	36	0.0	-10.45	316.42	4.65	-5.80
CCCC(NC(=O)C1=CC=C(CSC2=NC(C)=CS2)C=C1)C1=NN=N[N-]1	REAL000000001259	0	45	-1.0	-49.51	403.89	6.20	-43.31
CCCC(NC(=O)C1=CC=C(CSC2=NC(C)=CS2)C=C1)C1=N[N-]N=N1	REAL000000001259	1	45	-1.0	-49.51	403.84	6.21	-43.30
CCCC(NC(=O)C1=CC=C(CSC2=NC(C)=CS2)C=C1)C1=NNN=N1	REAL000000001259	1	46	0.0	-15.06	407.27	6.21	-8.85
CCCC(NC(=O)COC1=CC(C)=CC=C1C(C)C)C1=NN=N[N-]1	REAL000000001260	0	48	-1.0	-49.55	387.92	6.87	-42.68
CCCC(NC(=O)COC1=CC(C)=CC=C1C(C)C)C1=N[N-]N=N1	REAL000000001260	1	48	-1.0	-49.55	387.86	6.86	-42.69
CCCC(NC(=O)COC1=CC(C)=CC=C1C(C)C)C1=NNN=N1	REAL000000001260	1	49	0.0	-10.37	384.10	6.45	-3.91
CCCC(NC(=O)CCOC1=CC=CC=C1F)C1=NN=N[N-]1	REAL000000001261	0	39	-1.0	-45.70	335.08	4.04	-41.66
CCCC(NC(=O)CCOC1=CC=CC=C1F)C1=N[N-]N=N1	REAL000000001261	1	39	-1.0	-45.70	335.02	4.04	-41.66
CCCC(NC(=O)CCOC1=CC=CC=C1F)C1=NNN=N1	REAL000000001261	1	40	0.0	-12.00	338.45	4.05	-7.95
CCCC(NC(=O)CCC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000001262	0	38	-1.0	-43.99	337.11	5.64	-38.35
CCCC(NC(=O)CCC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000001262	1	38	-1.0	-43.98	337.05	5.63	-38.36
CCCC(NC(=O)CCC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000001262	1	39	0.0	-10.17	340.48	5.65	-4.53
CCCC(NC(=O)CC1=CC(Cl)=C2OCCOC2=C1)C1=NN=N[N-]1	REAL000000001263	0	41	-1.0	-49.65	359.45	4.02	-45.62
CCCC(NC(=O)CC1=CC(Cl)=C2OCCOC2=C1)C1=N[N-]N=N1	REAL000000001263	1	41	-1.0	-49.64	359.39	4.01	-45.63
CCCC(NC(=O)CC1=CC(Cl)=C2OCCOC2=C1)C1=NNN=N1	REAL000000001263	1	42	0.0	-15.47	362.83	4.03	-11.44
CCCC(NC(=O)CCOC1=CC=CC=C1OC)C1=NN=N[N-]1	REAL000000001264	0	43	-1.0	-47.53	358.09	3.88	-43.65
CCCC(NC(=O)CCOC1=CC=CC=C1OC)C1=N[N-]N=N1	REAL000000001264	1	43	-1.0	-47.53	358.04	3.88	-43.64
CCCC(NC(=O)CCOC1=CC=CC=C1OC)C1=NNN=N1	REAL000000001264	1	44	0.0	-12.91	361.47	3.89	-9.01
CCCC(NC(=O)C1=C(C)N(C2CCCCC2)C(C)=C1)C1=NN=N[N-]1	REAL000000001265	0	52	-1.0	-48.95	393.13	7.26	-41.69
CCCC(NC(=O)C1=C(C)N(C2CCCCC2)C(C)=C1)C1=N[N-]N=N1	REAL000000001265	1	52	-1.0	-48.96	393.07	7.25	-41.71
CCCC(NC(=O)C1=C(C)N(C2CCCCC2)C(C)=C1)C1=NNN=N1	REAL000000001265	1	53	0.0	-10.63	396.55	7.27	-3.36
CCCC(NC(=O)C=CC1=CC=C(S(=O)(=O)NC)C=C1)C1=NN=N[N-]1	REAL000000001266	0	44	-1.0	-50.55	385.44	1.02	-49.54
CCCC(NC(=O)C=CC1=CC=C(S(=O)(=O)NC)C=C1)C1=N[N-]N=N1	REAL000000001266	1	44	-1.0	-50.55	385.38	1.02	-49.53
CCCC(NC(=O)C=CC1=CC=C(S(=O)(=O)NC)C=C1)C1=NNN=N1	REAL000000001266	1	45	0.0	-17.58	388.82	1.03	-16.55
CCCC(NC(=O)C=CC1=C(C)N(CC)C(C)=C1C(=O)OCC)C1=NN=N[N-]1	REAL000000001267	0	55	-1.0	-54.47	457.19	8.03	-46.44
CCCC(NC(=O)C=CC1=C(C)N(CC)C(C)=C1C(=O)OCC)C1=N[N-]N=N1	REAL000000001267	1	55	-1.0	-54.47	457.13	8.02	-46.45
CCCC(NC(=O)C=CC1=C(C)N(CC)C(C)=C1C(=O)OCC)C1=NNN=N1	REAL000000001267	1	56	0.0	-15.05	460.56	8.04	-7.01
CCCC(NC(=O)C1=C(C)C(C(=O)OC)=C(C)N1)C1=NN=N[N-]1	REAL000000001268	0	42	-1.0	-49.74	357.20	3.39	-46.35
CCCC(NC(=O)C1=C(C)C(C(=O)OC)=C(C)N1)C1=N[N-]N=N1	REAL000000001268	1	42	-1.0	-49.73	357.14	3.38	-46.35
CCCC(NC(=O)C1=C(C)C(C(=O)OC)=C(C)N1)C1=NNN=N1	REAL000000001268	1	43	0.0	-12.30	353.39	3.07	-9.23
CCCC(NC(=O)C1=CSC2=C1CCCC2)C1=NN=N[N-]1	REAL000000001269	0	39	-1.0	-47.57	325.30	5.23	-42.34
CCCC(NC(=O)C1=CSC2=C1CCCC2)C1=N[N-]N=N1	REAL000000001269	1	39	-1.0	-47.56	325.25	5.22	-42.34
CCCC(NC(=O)C1=CSC2=C1CCCC2)C1=NNN=N1	REAL000000001269	1	40	0.0	-10.51	328.69	5.23	-5.28
CCCC(NC(=O)C1=CN(CC2=CC=CC=C2Cl)N=C1)C1=NN=N[N-]1	REAL000000001270	0	42	-1.0	-49.04	375.23	5.65	-43.39
CCCC(NC(=O)C1=CN(CC2=CC=CC=C2Cl)N=C1)C1=N[N-]N=N1	REAL000000001270	1	42	-1.0	-49.05	375.17	5.65	-43.39
CCCC(NC(=O)C1=CN(CC2=CC=CC=C2Cl)N=C1)C1=NNN=N1	REAL000000001270	1	43	0.0	-13.22	376.73	5.72	-7.51
CCCC(NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C1=NN=N[N-]1	REAL000000001271	0	49	-1.0	-59.63	400.88	1.96	-57.67
CCCC(NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C1=N[N-]N=N1	REAL000000001271	1	49	-1.0	-59.63	400.83	1.97	-57.66
CCCC(NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C1=NNN=N1	REAL000000001271	1	50	0.0	-20.89	403.93	1.98	-18.91
CCCC(NC(=O)CCN1C(=O)C(C)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000001272	0	47	-1.0	-51.08	386.81	4.25	-46.82
CCCC(NC(=O)CCN1C(=O)C(C)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000001272	1	47	-1.0	-51.07	386.75	4.24	-46.83
CCCC(NC(=O)CCN1C(=O)C(C)OC2=CC=CC=C21)C1=NNN=N1	REAL000000001272	1	48	0.0	-12.65	390.18	4.26	-8.39
CCCC(NC(=O)C1=CC=C(C#CC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000001273	0	44	-1.0	-47.03	383.26	8.81	-38.22
CCCC(NC(=O)C1=CC=C(C#CC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000001273	1	44	-1.0	-47.02	383.21	8.80	-38.21
CCCC(NC(=O)C1=CC=C(C#CC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000001273	1	45	0.0	-12.47	386.65	8.81	-3.65
CCCC(NC(=O)C1=C(C)C2=C(OC)N=C(COC)N=C2S1)C1=NN=N[N-]1	REAL000000001274	0	47	-1.0	-45.52	402.81	1.24	-44.28
CCCC(NC(=O)C1=C(C)C2=C(OC)N=C(COC)N=C2S1)C1=N[N-]N=N1	REAL000000001274	1	47	-1.0	-45.52	402.75	1.23	-44.29
CCCC(NC(=O)C1=C(C)C2=C(OC)N=C(COC)N=C2S1)C1=NNN=N1	REAL000000001274	1	48	0.0	-11.95	406.20	1.24	-10.71
CCCC(NC(=O)C1=CC=CC(CS(C)=O)=C1)C1=NN=N[N-]1	REAL000000001275	0	40	-1.0	-51.27	350.00	2.88	-48.39
CCCC(NC(=O)C1=CC=CC(CS(C)=O)=C1)C1=N[N-]N=N1	REAL000000001275	1	40	-1.0	-51.26	349.94	2.88	-48.38
CCCC(NC(=O)C1=CC=CC(CS(C)=O)=C1)C1=NNN=N1	REAL000000001275	1	41	0.0	-17.61	353.38	2.89	-14.72
C=CCC1=CC(C(=O)NC(CCC)C2=NN=N[N-]2)=CC(OC)=C1OC	REAL000000001276	0	47	-1.0	-45.55	388.97	4.94	-40.62
C=CCC1=CC(C(=O)NC(CCC)C2=N[N-]N=N2)=CC(OC)=C1OC	REAL000000001276	1	47	-1.0	-45.55	388.91	4.94	-40.62
C=CCC1=CC(C(=O)NC(CCC)C2=NNN=N2)=CC(OC)=C1OC	REAL000000001276	1	48	0.0	-12.14	392.35	4.94	-7.20
CCCC(NC(=O)CCN1C(=O)NC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000001277	0	44	-1.0	-51.82	371.15	2.67	-49.15
CCCC(NC(=O)CCN1C(=O)NC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000001277	1	44	-1.0	-51.81	371.09	2.67	-49.14
CCCC(NC(=O)CCN1C(=O)NC(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000001277	1	45	0.0	-13.46	367.31	2.36	-11.10
CCCC(NC(=O)C1CC(=O)N(C2=CC(C)=CC=C2OC)C1)C1=NN=N[N-]1	REAL000000001278	0	50	-1.0	-49.14	412.35	4.94	-44.20
CCCC(NC(=O)C1CC(=O)N(C2=CC(C)=CC=C2OC)C1)C1=N[N-]N=N1	REAL000000001278	1	50	-1.0	-49.14	412.30	4.95	-44.20
CCCC(NC(=O)C1CC(=O)N(C2=CC(C)=CC=C2OC)C1)C1=NNN=N1	REAL000000001278	1	51	0.0	-17.65	415.73	4.96	-12.69
CCCC(NC(=O)C1=CSC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL000000001279	0	38	-1.0	-47.41	341.62	4.46	-42.95
CCCC(NC(=O)C1=CSC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL000000001279	1	38	-1.0	-47.41	341.56	4.46	-42.95
CCCC(NC(=O)C1=CSC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000001279	1	39	0.0	-10.28	344.99	4.46	-5.81
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC(Cl)=C2)S1)C1=NN=N[N-]1	REAL000000001280	0	41	-1.0	-44.41	374.96	5.68	-38.74
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC(Cl)=C2)S1)C1=N[N-]N=N1	REAL000000001280	1	41	-1.0	-44.41	374.90	5.67	-38.75
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC(Cl)=C2)S1)C1=NNN=N1	REAL000000001280	1	42	0.0	-7.60	371.16	5.35	-2.24
CCCC(NC(=O)CC1=CSC(C2=CSC=C2)=N1)C1=NN=N[N-]1	REAL000000001281	0	38	-1.0	-54.72	353.67	4.21	-50.51
CCCC(NC(=O)CC1=CSC(C2=CSC=C2)=N1)C1=N[N-]N=N1	REAL000000001281	1	38	-1.0	-54.72	353.61	4.21	-50.51
CCCC(NC(=O)CC1=CSC(C2=CSC=C2)=N1)C1=NNN=N1	REAL000000001281	1	39	0.0	-15.59	357.05	4.22	-11.37
CCCC(NC(=O)C1=CC(Br)=CN1C)C1=NN=N[N-]1	REAL000000001282	0	33	-1.0	-43.58	301.22	3.71	-39.87
CCCC(NC(=O)C1=CC(Br)=CN1C)C1=N[N-]N=N1	REAL000000001282	1	33	-1.0	-43.58	301.16	3.70	-39.88
CCCC(NC(=O)C1=CC(Br)=CN1C)C1=NNN=N1	REAL000000001282	1	34	0.0	-9.64	304.75	3.71	-5.92
CCCC(NC(=O)C1CC(=O)N(C2=C3C=CC=CC3=CC=C2)C1)C1=NN=N[N-]1	REAL000000001283	0	49	-1.0	-51.88	406.68	7.48	-44.40
CCCC(NC(=O)C1CC(=O)N(C2=C3C=CC=CC3=CC=C2)C1)C1=N[N-]N=N1	REAL000000001283	1	49	-1.0	-51.87	406.62	7.48	-44.39
CCCC(NC(=O)C1CC(=O)N(C2=C3C=CC=CC3=CC=C2)C1)C1=NNN=N1	REAL000000001283	1	50	0.0	-18.59	410.05	7.49	-11.10
CCCC(NC(=O)C1=CC=C(NC(=O)NC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000001284	0	48	-1.0	-55.04	400.99	4.87	-50.17
CCCC(NC(=O)C1=CC=C(NC(=O)NC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000001284	1	48	-1.0	-55.05	400.93	4.88	-50.17
CCCC(NC(=O)C1=CC=C(NC(=O)NC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000001284	1	49	0.0	-19.86	404.21	4.92	-14.95
CCCC(NC(=O)C1=CC2=C(OC(C)C2)C(OC)=C1)C1=NN=N[N-]1	REAL000000001285	0	44	-1.0	-47.41	360.84	3.58	-43.83
CCCC(NC(=O)C1=CC2=C(OC(C)C2)C(OC)=C1)C1=N[N-]N=N1	REAL000000001285	1	44	-1.0	-47.40	360.78	3.57	-43.83
CCCC(NC(=O)C1=CC2=C(OC(C)C2)C(OC)=C1)C1=NNN=N1	REAL000000001285	1	45	0.0	-13.27	364.21	3.58	-9.69
CCCC(NC(=O)COC1=CC=C(C)C=C1C)C1=NN=N[N-]1	REAL000000001286	0	42	-1.0	-48.96	349.38	5.60	-43.36
CCCC(NC(=O)COC1=CC=C(C)C=C1C)C1=N[N-]N=N1	REAL000000001286	1	42	-1.0	-48.96	349.32	5.60	-43.36
CCCC(NC(=O)COC1=CC=C(C)C=C1C)C1=NNN=N1	REAL000000001286	1	43	0.0	-13.86	352.75	5.61	-8.25
CCCC(NC(=O)C1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000001287	0	57	-1.0	-48.12	424.70	6.40	-41.72
CCCC(NC(=O)C1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000001287	1	57	-1.0	-48.13	424.64	6.40	-41.73
CCCC(NC(=O)C1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1)C1=NNN=N1	REAL000000001287	1	58	0.0	-7.66	420.89	6.09	-1.57
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1F)C1=NN=N[N-]1	REAL000000001288	0	43	-1.0	-50.39	374.43	1.75	-48.64
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1F)C1=N[N-]N=N1	REAL000000001288	1	43	-1.0	-50.39	374.37	1.75	-48.64
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1F)C1=NNN=N1	REAL000000001288	1	44	0.0	-16.90	377.81	1.76	-15.14
CCCC(NC(=O)C=CC1=CC=CC=C1OCC)C1=NN=N[N-]1	REAL000000001289	0	43	-1.0	-50.78	359.10	5.15	-45.63
CCCC(NC(=O)C=CC1=CC=CC=C1OCC)C1=N[N-]N=N1	REAL000000001289	1	43	-1.0	-50.79	359.05	5.16	-45.63
CCCC(NC(=O)C=CC1=CC=CC=C1OCC)C1=NNN=N1	REAL000000001289	1	44	0.0	-13.61	362.48	5.16	-8.45
CCCC(NC(=O)C=CC1=CC=C(C)C(Cl)=C1)C1=NN=N[N-]1	REAL000000001290	0	39	-1.0	-45.40	344.31	5.94	-39.46
CCCC(NC(=O)C=CC1=CC=C(C)C(Cl)=C1)C1=N[N-]N=N1	REAL000000001290	1	39	-1.0	-45.40	344.25	5.94	-39.46
CCCC(NC(=O)C=CC1=CC=C(C)C(Cl)=C1)C1=NNN=N1	REAL000000001290	1	40	0.0	-11.59	347.68	5.95	-5.64
CCCC(NC(=O)CCOC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL000000001291	0	42	-1.0	-45.41	350.25	4.64	-40.77
CCCC(NC(=O)CCOC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL000000001291	1	42	-1.0	-45.41	350.20	4.64	-40.78
CCCC(NC(=O)CCOC1=CC=CC(C)=C1)C1=NNN=N1	REAL000000001291	1	43	0.0	-11.08	353.63	4.65	-6.43
CCCC(NC(=O)CNC(=O)C1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL000000001292	0	39	-1.0	-43.85	354.62	2.76	-41.09
CCCC(NC(=O)CNC(=O)C1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL000000001292	1	39	-1.0	-43.85	354.56	2.76	-41.09
CCCC(NC(=O)CNC(=O)C1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000001292	1	40	0.0	-12.52	358.00	2.77	-9.75
CCCC(NC(=O)CCSC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000001293	0	43	-1.0	-45.29	368.64	4.90	-40.39
CCCC(NC(=O)CCSC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000001293	1	43	-1.0	-45.29	368.59	4.89	-40.40
CCCC(NC(=O)CCSC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000001293	1	44	0.0	-11.51	372.03	4.91	-6.59
CCCC(NC(=O)C1CCCN(C(=O)C2=CC=C(F)C=C2)C1)C1=NN=N[N-]1	REAL000000001294	0	49	-1.0	-48.50	397.79	5.50	-43.00
CCCC(NC(=O)C1CCCN(C(=O)C2=CC=C(F)C=C2)C1)C1=N[N-]N=N1	REAL000000001294	1	49	-1.0	-48.49	397.73	5.49	-43.01
CCCC(NC(=O)C1CCCN(C(=O)C2=CC=C(F)C=C2)C1)C1=NNN=N1	REAL000000001294	1	50	0.0	-13.05	401.17	5.51	-7.55
CCCC(NC(=O)C1=C(C)N=C(CC2=CC=C(F)C=C2)S1)C1=NN=N[N-]1	REAL000000001295	0	44	-1.0	-45.72	388.27	5.96	-39.76
CCCC(NC(=O)C1=C(C)N=C(CC2=CC=C(F)C=C2)S1)C1=N[N-]N=N1	REAL000000001295	1	44	-1.0	-45.72	388.22	5.96	-39.76
CCCC(NC(=O)C1=C(C)N=C(CC2=CC=C(F)C=C2)S1)C1=NNN=N1	REAL000000001295	1	45	0.0	-12.50	391.65	5.97	-6.53
CCCC(NC(=O)C=CC1=CC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL000000001296	0	36	-1.0	-46.05	339.87	5.79	-40.26
CCCC(NC(=O)C=CC1=CC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL000000001296	1	36	-1.0	-46.05	339.81	5.78	-40.27
CCCC(NC(=O)C=CC1=CC(Cl)=CC=C1Cl)C1=NNN=N1	REAL000000001296	1	37	0.0	-10.88	343.24	5.80	-5.09
CCCC(NC(=O)CC1=CC(F)=CC2=C1OCOC2)C1=NN=N[N-]1	REAL000000001297	0	41	-1.0	-50.13	348.69	3.50	-46.63
CCCC(NC(=O)CC1=CC(F)=CC2=C1OCOC2)C1=N[N-]N=N1	REAL000000001297	1	41	-1.0	-50.13	348.64	3.50	-46.63
CCCC(NC(=O)CC1=CC(F)=CC2=C1OCOC2)C1=NNN=N1	REAL000000001297	1	42	0.0	-14.44	352.07	3.51	-10.94
CCCC(NC(=O)CCN1C=NC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL000000001298	0	43	-1.0	-48.05	365.65	5.28	-42.77
CCCC(NC(=O)CCN1C=NC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL000000001298	1	43	-1.0	-48.04	365.59	5.27	-42.77
CCCC(NC(=O)CCN1C=NC2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000001298	1	44	0.0	-16.28	369.04	5.29	-10.99
CCCC(NC(=O)CCC1=C(C)C2=CC=C(OC)C=C2OC1=O)C1=NN=N[N-]1	REAL000000001299	0	50	-1.0	-61.08	410.59	6.36	-54.73
CCCC(NC(=O)CCC1=C(C)C2=CC=C(OC)C=C2OC1=O)C1=N[N-]N=N1	REAL000000001299	1	50	-1.0	-61.07	410.53	6.35	-54.72
CCCC(NC(=O)CCC1=C(C)C2=CC=C(OC)C=C2OC1=O)C1=NNN=N1	REAL000000001299	1	51	0.0	-18.99	413.96	6.36	-12.63
CCCC(NC(=O)CCN1C=NC2=C(C)C=CC=C2C1=O)C1=NN=N[N-]1	REAL000000001300	0	46	-1.0	-55.14	385.80	6.12	-49.03
CCCC(NC(=O)CCN1C=NC2=C(C)C=CC=C2C1=O)C1=N[N-]N=N1	REAL000000001300	1	46	-1.0	-55.14	385.75	6.12	-49.02
CCCC(NC(=O)CCN1C=NC2=C(C)C=CC=C2C1=O)C1=NNN=N1	REAL000000001300	1	47	0.0	-16.25	389.19	6.13	-10.13
CCCC(NC(=O)C1=C(C)N=C2C(=C1)C=NN2C(C)C)C1=NN=N[N-]1	REAL000000001301	0	46	-1.0	-46.81	377.67	5.04	-41.77
CCCC(NC(=O)C1=C(C)N=C2C(=C1)C=NN2C(C)C)C1=N[N-]N=N1	REAL000000001301	1	46	-1.0	-46.81	377.61	5.03	-41.78
CCCC(NC(=O)C1=C(C)N=C2C(=C1)C=NN2C(C)C)C1=NNN=N1	REAL000000001301	1	47	0.0	-13.69	381.07	5.05	-8.64
CCCC(NC(=O)C1=CC=C2NC(=O)CCC2=C1)C1=NN=N[N-]1	REAL000000001302	0	40	-1.0	-48.01	334.10	2.84	-45.17
CCCC(NC(=O)C1=CC=C2NC(=O)CCC2=C1)C1=N[N-]N=N1	REAL000000001302	1	40	-1.0	-48.01	334.04	2.83	-45.17
CCCC(NC(=O)C1=CC=C2NC(=O)CCC2=C1)C1=NNN=N1	REAL000000001302	1	41	0.0	-14.41	337.47	2.84	-11.57
CCCC(NC(=O)C1=C(C)N(C2=CC=C(OC)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000001303	0	50	-1.0	-49.52	410.45	6.90	-42.62
CCCC(NC(=O)C1=C(C)N(C2=CC=C(OC)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000001303	1	50	-1.0	-49.52	410.39	6.90	-42.62
CCCC(NC(=O)C1=C(C)N(C2=CC=C(OC)C=C2)C(C)=C1)C1=NNN=N1	REAL000000001303	1	51	0.0	-11.93	413.82	6.91	-5.02
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CN1C)C1=NN=N[N-]1	REAL000000001304	0	38	-1.0	-50.57	336.29	-2.04	-52.61
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CN1C)C1=N[N-]N=N1	REAL000000001304	1	38	-1.0	-50.57	336.23	-2.05	-52.62
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CN1C)C1=NNN=N1	REAL000000001304	1	39	0.0	-14.84	331.57	-2.35	-17.19
CCCC(NC(=O)CC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000001305	0	38	-1.0	-45.57	337.71	5.31	-40.26
CCCC(NC(=O)CC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000001305	1	38	-1.0	-45.56	337.65	5.31	-40.25
CCCC(NC(=O)CC1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000001305	1	39	0.0	-12.48	341.08	5.32	-7.16
CCCC(NC(=O)C=CC1=CC=C(OC)C(Cl)=C1)C1=NN=N[N-]1	REAL000000001306	0	40	-1.0	-47.84	354.31	4.72	-43.12
CCCC(NC(=O)C=CC1=CC=C(OC)C(Cl)=C1)C1=N[N-]N=N1	REAL000000001306	1	40	-1.0	-47.84	354.25	4.71	-43.13
CCCC(NC(=O)C=CC1=CC=C(OC)C(Cl)=C1)C1=NNN=N1	REAL000000001306	1	41	0.0	-12.04	357.69	4.73	-7.32
CCCC(NC(=O)C1=C2CCCCCN2C(C2=CC=C(F)C=C2)=N1)C1=NN=N[N-]1	REAL000000001307	0	52	-1.0	-50.89	411.38	7.53	-43.36
CCCC(NC(=O)C1=C2CCCCCN2C(C2=CC=C(F)C=C2)=N1)C1=N[N-]N=N1	REAL000000001307	1	52	-1.0	-50.90	411.32	7.52	-43.38
CCCC(NC(=O)C1=C2CCCCCN2C(C2=CC=C(F)C=C2)=N1)C1=NNN=N1	REAL000000001307	1	53	0.0	-10.33	409.49	7.29	-3.04
CCCC(NC(=O)C1=CC=CC(NC(=O)C2=CC=CN=C2)=C1)C1=NN=N[N-]1	REAL000000001308	0	45	-1.0	-61.86	381.40	3.88	-57.99
CCCC(NC(=O)C1=CC=CC(NC(=O)C2=CC=CN=C2)=C1)C1=N[N-]N=N1	REAL000000001308	1	45	-1.0	-61.87	381.34	3.88	-57.99
CCCC(NC(=O)C1=CC=CC(NC(=O)C2=CC=CN=C2)=C1)C1=NNN=N1	REAL000000001308	1	46	0.0	-21.54	384.78	3.89	-17.65
CCCC(NC(=O)C=CC1=CC=C(OCC2=CC=CC=N2)C=C1)C1=NN=N[N-]1	REAL000000001309	0	49	-1.0	-49.13	412.83	6.42	-42.71
CCCC(NC(=O)C=CC1=CC=C(OCC2=CC=CC=N2)C=C1)C1=N[N-]N=N1	REAL000000001309	1	49	-1.0	-49.13	412.78	6.41	-42.72
CCCC(NC(=O)C=CC1=CC=C(OCC2=CC=CC=N2)C=C1)C1=NNN=N1	REAL000000001309	1	50	0.0	-10.92	409.01	6.10	-4.82
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCCCC2)=CN1C)C1=NN=N[N-]1	REAL000000001310	0	51	-1.0	-50.86	418.40	3.04	-47.82
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCCCC2)=CN1C)C1=N[N-]N=N1	REAL000000001310	1	51	-1.0	-50.86	418.34	3.03	-47.83
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCCCC2)=CN1C)C1=NNN=N1	REAL000000001310	1	52	0.0	-12.73	415.42	2.67	-10.06
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1)C1=NN=N[N-]1	REAL000000001311	0	41	-1.0	-42.01	360.75	4.25	-37.76
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1)C1=N[N-]N=N1	REAL000000001311	1	41	-1.0	-42.01	360.69	4.25	-37.76
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1)C1=NNN=N1	REAL000000001311	1	42	0.0	-9.64	356.95	3.93	-5.70
CCCC(NC(=O)C1=C(C)N=C2C=CC(OC)=CC2=C1)C1=NN=N[N-]1	REAL000000001312	0	44	-1.0	-46.87	361.27	3.98	-42.89
CCCC(NC(=O)C1=C(C)N=C2C=CC(OC)=CC2=C1)C1=N[N-]N=N1	REAL000000001312	1	44	-1.0	-46.87	361.21	3.97	-42.90
CCCC(NC(=O)C1=C(C)N=C2C=CC(OC)=CC2=C1)C1=NNN=N1	REAL000000001312	1	45	0.0	-12.66	364.66	3.99	-8.67
CCCC(NC(=O)C1CCN(C(=O)COC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL000000001313	0	53	-1.0	-56.87	424.70	6.43	-50.44
CCCC(NC(=O)C1CCN(C(=O)COC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL000000001313	1	53	-1.0	-56.86	424.64	6.43	-50.44
CCCC(NC(=O)C1CCN(C(=O)COC2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000001313	1	54	0.0	-19.40	420.88	6.11	-13.28
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(C)C)O1)C1=NN=N[N-]1	REAL000000001314	0	40	-1.0	-46.09	356.61	-0.30	-46.39
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(C)C)O1)C1=N[N-]N=N1	REAL000000001314	1	40	-1.0	-46.09	356.55	-0.30	-46.39
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(C)C)O1)C1=NNN=N1	REAL000000001314	1	41	0.0	-13.35	359.95	-0.27	-13.62
CCCC(NC(=O)C1=CC=C(N2CC(C)OC(C)C2)N=C1)C1=NN=N[N-]1	REAL000000001315	0	50	-1.0	-45.64	398.39	3.39	-42.25
CCCC(NC(=O)C1=CC=C(N2CC(C)OC(C)C2)N=C1)C1=N[N-]N=N1	REAL000000001315	1	50	-1.0	-45.63	398.33	3.38	-42.25
CCCC(NC(=O)C1=CC=C(N2CC(C)OC(C)C2)N=C1)C1=NNN=N1	REAL000000001315	1	51	0.0	-11.53	401.76	3.40	-8.13
CCCC(NC(=O)CN1C=C(Br)C=CC1=O)C1=NN=N[N-]1	REAL000000001316	0	35	-1.0	-47.43	324.44	3.53	-43.90
CCCC(NC(=O)CN1C=C(Br)C=CC1=O)C1=N[N-]N=N1	REAL000000001316	1	35	-1.0	-47.43	324.39	3.53	-43.90
CCCC(NC(=O)CN1C=C(Br)C=CC1=O)C1=NNN=N1	REAL000000001316	1	36	0.0	-15.98	327.82	3.54	-12.44
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL000000001317	0	40	-1.0	-47.48	364.06	-0.28	-47.76
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL000000001317	1	40	-1.0	-47.47	364.00	-0.29	-47.76
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CC=CS1)C1=NNN=N1	REAL000000001317	1	41	0.0	-15.80	364.55	-0.37	-16.17
CCCC(NC(=O)CCC1=NC(C2=CC=CC=N2)=NO1)C1=NN=N[N-]1	REAL000000001318	0	42	-1.0	-49.09	366.62	1.88	-47.22
CCCC(NC(=O)CCC1=NC(C2=CC=CC=N2)=NO1)C1=N[N-]N=N1	REAL000000001318	1	42	-1.0	-49.09	366.56	1.88	-47.21
CCCC(NC(=O)CCC1=NC(C2=CC=CC=N2)=NO1)C1=NNN=N1	REAL000000001318	1	43	0.0	-16.68	370.00	1.89	-14.80
CCCC(NC(=O)C1=CC(C2=CC=CC(Cl)=C2)=NN1)C1=NN=N[N-]1	REAL000000001319	0	39	-1.0	-44.48	352.53	4.19	-40.29
CCCC(NC(=O)C1=CC(C2=CC=CC(Cl)=C2)=NN1)C1=N[N-]N=N1	REAL000000001319	1	39	-1.0	-44.48	352.47	4.19	-40.29
CCCC(NC(=O)C1=CC(C2=CC=CC(Cl)=C2)=NN1)C1=NNN=N1	REAL000000001319	1	40	0.0	-11.74	355.91	4.20	-7.54
CCCC(NC(=O)CCC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000001320	0	38	-1.0	-45.57	337.11	5.64	-39.94
CCCC(NC(=O)CCC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000001320	1	38	-1.0	-45.58	337.05	5.63	-39.95
CCCC(NC(=O)CCC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000001320	1	39	0.0	-10.58	340.48	5.64	-4.94
CCCC(NC(=O)C1=CC=C(OCC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000001321	0	39	-1.0	-48.14	345.18	4.35	-43.79
CCCC(NC(=O)C1=CC=C(OCC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000001321	1	39	-1.0	-48.14	345.13	4.35	-43.78
CCCC(NC(=O)C1=CC=C(OCC(F)(F)F)C=C1)C1=NNN=N1	REAL000000001321	1	40	0.0	-13.94	348.56	4.36	-9.58
CCCC(NC(=O)C1=CSC(C2=CC=C(OCC)C=C2)=N1)C1=NN=N[N-]1	REAL000000001322	0	45	-1.0	-47.13	392.90	4.70	-42.44
CCCC(NC(=O)C1=CSC(C2=CC=C(OCC)C=C2)=N1)C1=N[N-]N=N1	REAL000000001322	1	45	-1.0	-47.14	392.84	4.70	-42.44
CCCC(NC(=O)C1=CSC(C2=CC=C(OCC)C=C2)=N1)C1=NNN=N1	REAL000000001322	1	46	0.0	-8.75	389.09	4.38	-4.36
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N2CCCC2)O1)C1=NN=N[N-]1	REAL000000001323	0	44	-1.0	-48.60	382.94	0.84	-47.76
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N2CCCC2)O1)C1=N[N-]N=N1	REAL000000001323	1	44	-1.0	-48.60	382.88	0.83	-47.77
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N2CCCC2)O1)C1=NNN=N1	REAL000000001323	1	45	0.0	-14.01	386.32	0.85	-13.16
CCCC(NC(=O)CCC1=C(C)N2N=CC(C#N)=C2N=C1C)C1=NN=N[N-]1	REAL000000001324	0	47	-1.0	-48.83	397.89	5.44	-43.39
CCCC(NC(=O)CCC1=C(C)N2N=CC(C#N)=C2N=C1C)C1=N[N-]N=N1	REAL000000001324	1	47	-1.0	-48.82	397.83	5.43	-43.39
CCCC(NC(=O)CCC1=C(C)N2N=CC(C#N)=C2N=C1C)C1=NNN=N1	REAL000000001324	1	48	0.0	-18.45	401.32	5.44	-13.01
CCCC(NC(=O)CCCNC(=O)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000001325	0	49	-1.0	-49.48	406.36	2.91	-46.57
CCCC(NC(=O)CCCNC(=O)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000001325	1	49	-1.0	-49.48	406.30	2.91	-46.57
CCCC(NC(=O)CCCNC(=O)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000001325	1	50	0.0	-16.40	409.74	2.92	-13.49
CCCC(NC(=O)CCOC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000001326	0	39	-1.0	-43.59	350.14	4.58	-39.01
CCCC(NC(=O)CCOC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000001326	1	39	-1.0	-43.59	350.08	4.58	-39.01
CCCC(NC(=O)CCOC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000001326	1	40	0.0	-10.29	353.52	4.59	-5.70
CCCC(NC(=O)C1COC2=CC=C(OC)C=C2C1)C1=NN=N[N-]1	REAL000000001327	0	44	-1.0	-46.37	358.45	3.47	-42.90
CCCC(NC(=O)C1COC2=CC=C(OC)C=C2C1)C1=N[N-]N=N1	REAL000000001327	1	44	-1.0	-46.37	358.39	3.46	-42.91
CCCC(NC(=O)C1COC2=CC=C(OC)C=C2C1)C1=NNN=N1	REAL000000001327	1	45	0.0	-11.63	361.83	3.48	-8.15
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL000000001328	0	37	-1.0	-51.00	345.01	-0.97	-51.97
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL000000001328	1	37	-1.0	-51.00	344.95	-0.98	-51.98
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CS1)C1=NNN=N1	REAL000000001328	1	38	0.0	-15.65	348.38	-0.96	-16.61
CCCC(NC(=O)C=CC1=CC(OC)=C2OCCOC2=C1)C1=NN=N[N-]1	REAL000000001329	0	46	-1.0	-49.89	382.51	3.89	-46.00
CCCC(NC(=O)C=CC1=CC(OC)=C2OCCOC2=C1)C1=N[N-]N=N1	REAL000000001329	1	46	-1.0	-49.89	382.45	3.89	-46.01
CCCC(NC(=O)C=CC1=CC(OC)=C2OCCOC2=C1)C1=NNN=N1	REAL000000001329	1	47	0.0	-15.79	385.89	3.90	-11.88
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1SC(F)F)C1=NN=N[N-]1	REAL000000001330	0	42	-1.0	-53.75	380.49	6.16	-47.60
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1SC(F)F)C1=N[N-]N=N1	REAL000000001330	1	42	-1.0	-53.75	380.44	6.15	-47.60
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1SC(F)F)C1=NNN=N1	REAL000000001330	1	43	0.0	-20.64	383.87	6.16	-14.48
CCCC(NC(=O)C1=NN2C(=N1)N=C(C)C=C2C)C1=NN=N[N-]1	REAL000000001331	0	39	-1.0	-57.18	338.46	4.99	-52.19
CCCC(NC(=O)C1=NN2C(=N1)N=C(C)C=C2C)C1=N[N-]N=N1	REAL000000001331	1	39	-1.0	-57.19	338.40	4.99	-52.20
CCCC(NC(=O)C1=NN2C(=N1)N=C(C)C=C2C)C1=NNN=N1	REAL000000001331	1	40	0.0	-19.46	341.84	5.00	-14.45
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL000000001332	0	42	-1.0	-47.58	350.29	5.22	-42.36
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL000000001332	1	42	-1.0	-47.58	350.23	5.21	-42.37
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000001332	1	43	0.0	-12.84	353.67	5.23	-7.61
CCCC(NC(=O)C1=CN(C2=CC=CC=C2Br)N=N1)C1=NN=N[N-]1	REAL000000001333	0	38	-1.0	-48.21	347.42	4.00	-44.20
CCCC(NC(=O)C1=CN(C2=CC=CC=C2Br)N=N1)C1=N[N-]N=N1	REAL000000001333	1	38	-1.0	-48.20	347.36	3.99	-44.21
CCCC(NC(=O)C1=CN(C2=CC=CC=C2Br)N=N1)C1=NNN=N1	REAL000000001333	1	39	0.0	-13.42	350.79	4.01	-9.41
CCCC(NC(=O)C1=CC(Br)=C(OCC)C(OC)=C1)C1=NN=N[N-]1	REAL000000001334	0	43	-1.0	-43.24	379.16	4.60	-38.65
CCCC(NC(=O)C1=CC(Br)=C(OCC)C(OC)=C1)C1=N[N-]N=N1	REAL000000001334	1	43	-1.0	-43.24	379.10	4.60	-38.65
CCCC(NC(=O)C1=CC(Br)=C(OCC)C(OC)=C1)C1=NNN=N1	REAL000000001334	1	44	0.0	-8.06	375.35	4.28	-3.78
CCCC(NC(=O)CSC1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL000000001335	0	42	-1.0	-49.43	361.99	3.93	-45.50
CCCC(NC(=O)CSC1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL000000001335	1	42	-1.0	-49.42	361.94	3.94	-45.49
CCCC(NC(=O)CSC1=CC=C2OCCOC2=C1)C1=NNN=N1	REAL000000001335	1	43	0.0	-15.76	365.37	3.95	-11.82
CCCC(NC(=O)C=CC1=CC(Br)=CC=C1OC)C1=NN=N[N-]1	REAL000000001336	0	40	-1.0	-48.41	358.53	4.84	-43.57
CCCC(NC(=O)C=CC1=CC(Br)=CC=C1OC)C1=N[N-]N=N1	REAL000000001336	1	40	-1.0	-48.41	358.47	4.84	-43.58
CCCC(NC(=O)C=CC1=CC(Br)=CC=C1OC)C1=NNN=N1	REAL000000001336	1	41	0.0	-9.13	354.66	4.51	-4.61
CCCC(NC(=O)C1=CC=C2NC(C)=C(C)C2=C1)C1=NN=N[N-]1	REAL000000001337	0	42	-1.0	-51.38	347.88	4.92	-46.46
CCCC(NC(=O)C1=CC=C2NC(C)=C(C)C2=C1)C1=N[N-]N=N1	REAL000000001337	1	42	-1.0	-51.38	347.82	4.91	-46.47
CCCC(NC(=O)C1=CC=C2NC(C)=C(C)C2=C1)C1=NNN=N1	REAL000000001337	1	43	0.0	-10.53	343.22	4.57	-5.96
CCCC(NC(=O)C1=C(Cl)C2=CC3=C(C=C2S1)OCCO3)C1=NN=N[N-]1	REAL000000001338	0	41	-1.0	-47.55	370.56	4.67	-42.88
CCCC(NC(=O)C1=C(Cl)C2=CC3=C(C=C2S1)OCCO3)C1=N[N-]N=N1	REAL000000001338	1	41	-1.0	-47.55	370.50	4.67	-42.88
CCCC(NC(=O)C1=C(Cl)C2=CC3=C(C=C2S1)OCCO3)C1=NNN=N1	REAL000000001338	1	42	0.0	-9.67	366.76	4.36	-5.32
CCCC(NC(=O)C1=CN(CC2=CC=CC=C2Cl)C(=O)C=C1)C1=NN=N[N-]1	REAL000000001339	0	45	-1.0	-45.90	391.85	7.21	-38.69
CCCC(NC(=O)C1=CN(CC2=CC=CC=C2Cl)C(=O)C=C1)C1=N[N-]N=N1	REAL000000001339	1	45	-1.0	-45.90	391.79	7.21	-38.68
CCCC(NC(=O)C1=CN(CC2=CC=CC=C2Cl)C(=O)C=C1)C1=NNN=N1	REAL000000001339	1	46	0.0	-13.37	391.71	6.54	-6.83
CCCC(NC(=O)C1=CC(N2CCOCC2)=CC=N1)C1=NN=N[N-]1	REAL000000001340	0	44	-1.0	-48.38	355.91	0.77	-47.60
CCCC(NC(=O)C1=CC(N2CCOCC2)=CC=N1)C1=N[N-]N=N1	REAL000000001340	1	44	-1.0	-48.37	355.85	0.77	-47.60
CCCC(NC(=O)C1=CC(N2CCOCC2)=CC=N1)C1=NNN=N1	REAL000000001340	1	45	0.0	-9.24	352.05	0.44	-8.80
CCCC(NC(=O)C1=CSC(C2=CC=CS2)=N1)C1=NN=N[N-]1	REAL000000001341	0	35	-1.0	-47.67	333.24	3.49	-44.17
CCCC(NC(=O)C1=CSC(C2=CC=CS2)=N1)C1=N[N-]N=N1	REAL000000001341	1	35	-1.0	-47.66	333.18	3.48	-44.18
CCCC(NC(=O)C1=CSC(C2=CC=CS2)=N1)C1=NNN=N1	REAL000000001341	1	36	0.0	-10.44	336.62	3.50	-6.94
CCCC(NC(=O)C1=C(C)N(C2CC2)C(C)=C1)C1=NN=N[N-]1	REAL000000001342	0	43	-1.0	-49.96	350.10	5.73	-44.22
CCCC(NC(=O)C1=C(C)N(C2CC2)C(C)=C1)C1=N[N-]N=N1	REAL000000001342	1	43	-1.0	-49.96	350.04	5.73	-44.23
CCCC(NC(=O)C1=C(C)N(C2CC2)C(C)=C1)C1=NNN=N1	REAL000000001342	1	44	0.0	-11.51	353.48	5.74	-5.76
CCCC(NC(=O)C1=NN(CC2=CC=CC=C2)C(=O)C=C1)C1=NN=N[N-]1	REAL000000001343	0	44	-1.0	-42.98	377.34	4.66	-38.32
CCCC(NC(=O)C1=NN(CC2=CC=CC=C2)C(=O)C=C1)C1=N[N-]N=N1	REAL000000001343	1	44	-1.0	-42.98	377.28	4.65	-38.33
CCCC(NC(=O)C1=NN(CC2=CC=CC=C2)C(=O)C=C1)C1=NNN=N1	REAL000000001343	1	45	0.0	-11.78	380.77	4.67	-7.12
CCCC(NC(=O)C=CC1=CC=C(OCC#N)C=C1)C1=NN=N[N-]1	REAL000000001344	0	41	-1.0	-52.42	359.52	4.86	-47.56
CCCC(NC(=O)C=CC1=CC=C(OCC#N)C=C1)C1=N[N-]N=N1	REAL000000001344	1	41	-1.0	-52.42	359.46	4.85	-47.56
CCCC(NC(=O)C=CC1=CC=C(OCC#N)C=C1)C1=NNN=N1	REAL000000001344	1	42	0.0	-18.04	362.89	4.87	-13.17
CCCC(NC(=O)C1=CC=C(N2N=CC(C(=O)OCC)=C2C)C=C1)C1=NN=N[N-]1	REAL000000001345	0	51	-1.0	-49.02	426.10	6.79	-42.24
CCCC(NC(=O)C1=CC=C(N2N=CC(C(=O)OCC)=C2C)C=C1)C1=N[N-]N=N1	REAL000000001345	1	51	-1.0	-49.02	426.05	6.78	-42.24
CCCC(NC(=O)C1=CC=C(N2N=CC(C(=O)OCC)=C2C)C=C1)C1=NNN=N1	REAL000000001345	1	52	0.0	-15.57	429.49	6.80	-8.78
CCCC(NC(=O)CN1C(=O)N(CC)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000001346	0	45	-1.0	-52.69	380.37	6.03	-46.66
CCCC(NC(=O)CN1C(=O)N(CC)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000001346	1	45	-1.0	-52.70	380.32	6.02	-46.67
CCCC(NC(=O)CN1C(=O)N(CC)C2=CC=CC=C21)C1=NNN=N1	REAL000000001346	1	46	0.0	-18.51	383.75	6.04	-12.47
CCCC(NC(=O)CSC1=NC(C)=C(C)C(C)=C1C#N)C1=NN=N[N-]1	REAL000000001347	0	45	-1.0	-51.91	388.20	5.10	-46.81
CCCC(NC(=O)CSC1=NC(C)=C(C)C(C)=C1C#N)C1=N[N-]N=N1	REAL000000001347	1	45	-1.0	-51.91	388.14	5.10	-46.81
CCCC(NC(=O)CSC1=NC(C)=C(C)C(C)=C1C#N)C1=NNN=N1	REAL000000001347	1	46	0.0	-16.25	392.35	5.14	-11.11
CCCC(NC(=O)C1=CC2=C(C)C=C(C)C=C2N1)C1=NN=N[N-]1	REAL000000001348	0	42	-1.0	-46.14	350.29	4.88	-41.26
CCCC(NC(=O)C1=CC2=C(C)C=C(C)C=C2N1)C1=N[N-]N=N1	REAL000000001348	1	42	-1.0	-46.14	350.23	4.88	-41.26
CCCC(NC(=O)C1=CC2=C(C)C=C(C)C=C2N1)C1=NNN=N1	REAL000000001348	1	43	0.0	-11.32	353.64	4.89	-6.43
CCCC(NC(=O)C=CC1=CC=C(S(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL000000001349	0	41	-1.0	-51.30	363.07	-0.20	-51.50
CCCC(NC(=O)C=CC1=CC=C(S(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL000000001349	1	41	-1.0	-51.30	363.01	-0.21	-51.51
CCCC(NC(=O)C=CC1=CC=C(S(N)(=O)=O)C=C1)C1=NNN=N1	REAL000000001349	1	42	0.0	-15.36	359.19	-0.52	-15.88
CCCC(NC(=O)CCC1=CC=C(C)C(Cl)=C1)C1=NN=N[N-]1	REAL000000001350	0	41	-1.0	-45.72	355.84	6.22	-39.50
CCCC(NC(=O)CCC1=CC=C(C)C(Cl)=C1)C1=N[N-]N=N1	REAL000000001350	1	41	-1.0	-45.72	355.79	6.22	-39.50
CCCC(NC(=O)CCC1=CC=C(C)C(Cl)=C1)C1=NNN=N1	REAL000000001350	1	42	0.0	-7.69	351.99	5.90	-1.78
CCCC(NC(=O)C1=CC(C)=C(C)C(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000001351	0	43	-1.0	-55.00	360.86	-0.09	-55.09
CCCC(NC(=O)C1=CC(C)=C(C)C(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000001351	1	43	-1.0	-55.00	360.80	-0.10	-55.10
CCCC(NC(=O)C1=CC(C)=C(C)C(S(N)(=O)=O)=C1)C1=NNN=N1	REAL000000001351	1	44	0.0	-16.21	356.37	-0.45	-16.66
CCCC(NC(=O)CC1=C(C2=CC=C(C)C=C2)N=C(C)S1)C1=NN=N[N-]1	REAL000000001352	0	47	-1.0	-48.57	398.28	6.11	-42.46
CCCC(NC(=O)CC1=C(C2=CC=C(C)C=C2)N=C(C)S1)C1=N[N-]N=N1	REAL000000001352	1	47	-1.0	-48.57	398.23	6.10	-42.47
CCCC(NC(=O)CC1=C(C2=CC=C(C)C=C2)N=C(C)S1)C1=NNN=N1	REAL000000001352	1	48	0.0	-14.27	401.66	6.12	-8.15
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000001353	0	43	-1.0	-47.10	371.36	0.70	-46.40
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000001353	1	43	-1.0	-47.09	371.30	0.69	-46.40
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000001353	1	44	0.0	-16.03	374.73	0.71	-15.32
CCCC(NC(=O)C1=CC=C(OCC)C(OC)=C1)C1=NN=N[N-]1	REAL000000001354	0	43	-1.0	-48.22	354.82	3.82	-44.40
CCCC(NC(=O)C1=CC=C(OCC)C(OC)=C1)C1=N[N-]N=N1	REAL000000001354	1	43	-1.0	-48.22	354.76	3.81	-44.41
CCCC(NC(=O)C1=CC=C(OCC)C(OC)=C1)C1=NNN=N1	REAL000000001354	1	44	0.0	-13.87	358.20	3.83	-10.04
CCCC(NC(=O)C1=CC=C(OC)C(S(=O)(=O)NC)=C1)C1=NN=N[N-]1	REAL000000001355	0	44	-1.0	-57.34	370.91	-0.29	-57.62
CCCC(NC(=O)C1=CC=C(OC)C(S(=O)(=O)NC)=C1)C1=N[N-]N=N1	REAL000000001355	1	44	-1.0	-57.34	370.85	-0.29	-57.63
CCCC(NC(=O)C1=CC=C(OC)C(S(=O)(=O)NC)=C1)C1=NNN=N1	REAL000000001355	1	45	0.0	-21.04	382.22	-0.31	-21.36
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC(C)CC)C=C1)C1=NN=N[N-]1	REAL000000001356	0	49	-1.0	-48.26	411.78	2.15	-46.11
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC(C)CC)C=C1)C1=N[N-]N=N1	REAL000000001356	1	49	-1.0	-48.25	411.72	2.14	-46.11
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC(C)CC)C=C1)C1=NNN=N1	REAL000000001356	1	50	0.0	-15.96	415.15	2.16	-13.80
CCCC(NC(=O)C1=CC=C2C(=O)N3CCCCCC3=NC2=C1)C1=NN=N[N-]1	REAL000000001357	0	50	-1.0	-51.75	397.13	6.06	-45.68
CCCC(NC(=O)C1=CC=C2C(=O)N3CCCCCC3=NC2=C1)C1=N[N-]N=N1	REAL000000001357	1	50	-1.0	-51.75	397.08	6.05	-45.70
CCCC(NC(=O)C1=CC=C2C(=O)N3CCCCCC3=NC2=C1)C1=NNN=N1	REAL000000001357	1	51	0.0	-16.65	400.51	6.07	-10.58
CCCC(NC(=O)CC(NC(=O)C1=CC=CC=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000001358	0	52	-1.0	-50.41	433.55	7.18	-43.23
CCCC(NC(=O)CC(NC(=O)C1=CC=CC=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000001358	1	52	-1.0	-50.41	433.49	7.19	-43.23
CCCC(NC(=O)CC(NC(=O)C1=CC=CC=C1)C1=CC=CC=C1)C1=NNN=N1	REAL000000001358	1	53	0.0	-20.28	436.92	7.19	-13.09
CCCOC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000001359	0	42	-1.0	-46.35	347.11	4.72	-41.63
CCCOC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000001359	1	42	-1.0	-46.33	347.05	4.71	-41.62
CCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000001359	1	43	0.0	-11.29	350.49	4.73	-6.56
CCCOC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1OCC	REAL000000001360	0	49	-1.0	-47.91	398.18	5.55	-42.35
CCCOC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1OCC	REAL000000001360	1	49	-1.0	-47.90	398.12	5.55	-42.35
CCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1OCC	REAL000000001360	1	50	0.0	-13.49	401.55	5.56	-7.93
CCCC(NC(=O)C1=CC=C(CSC)C=C1)C1=NN=N[N-]1	REAL000000001361	0	39	-1.0	-47.09	340.47	5.53	-41.56
CCCC(NC(=O)C1=CC=C(CSC)C=C1)C1=N[N-]N=N1	REAL000000001361	1	39	-1.0	-47.09	340.41	5.52	-41.57
CCCC(NC(=O)C1=CC=C(CSC)C=C1)C1=NNN=N1	REAL000000001361	1	40	0.0	-11.52	343.85	5.54	-5.99
CCCC(NC(=O)C1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL000000001362	0	38	-1.0	-49.42	318.81	2.81	-46.61
CCCC(NC(=O)C1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL000000001362	1	38	-1.0	-49.42	318.76	2.82	-46.61
CCCC(NC(=O)C1=CC=C2OCCOC2=C1)C1=NNN=N1	REAL000000001362	1	39	0.0	-13.98	322.19	2.82	-11.15
CCCC(NC(=O)C=CC1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000001363	0	39	-1.0	-46.99	347.60	5.84	-41.15
CCCC(NC(=O)C=CC1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000001363	1	39	-1.0	-46.98	347.55	5.83	-41.16
CCCC(NC(=O)C=CC1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000001363	1	40	0.0	-12.61	350.97	5.85	-6.77
CCCC(NC(=O)C1=CC=C(C2=NC3=CC=CC=C3S2)S1)C1=NN=N[N-]1	REAL000000001364	0	41	-1.0	-47.24	380.31	5.97	-41.27
CCCC(NC(=O)C1=CC=C(C2=NC3=CC=CC=C3S2)S1)C1=N[N-]N=N1	REAL000000001364	1	41	-1.0	-47.24	380.26	5.96	-41.28
CCCC(NC(=O)C1=CC=C(C2=NC3=CC=CC=C3S2)S1)C1=NNN=N1	REAL000000001364	1	42	0.0	-12.59	383.69	5.98	-6.61
CCCC(NC(=O)CCCSC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000001365	0	42	-1.0	-46.99	377.39	6.87	-40.11
CCCC(NC(=O)CCCSC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000001365	1	42	-1.0	-46.98	377.34	6.88	-40.10
CCCC(NC(=O)CCCSC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000001365	1	43	0.0	-12.87	380.77	6.88	-5.98
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2F)C1)C1=NN=N[N-]1	REAL000000001366	0	43	-1.0	-48.40	367.93	4.96	-43.44
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2F)C1)C1=N[N-]N=N1	REAL000000001366	1	43	-1.0	-48.40	367.88	4.95	-43.44
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2F)C1)C1=NNN=N1	REAL000000001366	1	44	0.0	-19.52	371.28	4.96	-14.56
CCCC(NC(=O)C1=CC(NC(C)=O)=CC(NC(C)=O)=C1)C1=NN=N[N-]1	REAL000000001367	0	46	-1.0	-65.60	386.55	1.47	-64.13
CCCC(NC(=O)C1=CC(NC(C)=O)=CC(NC(C)=O)=C1)C1=N[N-]N=N1	REAL000000001367	1	46	-1.0	-65.61	386.49	1.47	-64.14
CCCC(NC(=O)C1=CC(NC(C)=O)=CC(NC(C)=O)=C1)C1=NNN=N1	REAL000000001367	1	47	0.0	-26.15	389.93	1.48	-24.67
C=C1C2=CC=CC=C2C(=O)N1CC(=O)NC(CCC)C1=NN=N[N-]1	REAL000000001368	0	41	-1.0	-52.26	353.77	4.96	-47.31
C=C1C2=CC=CC=C2C(=O)N1CC(=O)NC(CCC)C1=N[N-]N=N1	REAL000000001368	1	41	-1.0	-52.26	353.71	4.95	-47.32
C=C1C2=CC=CC=C2C(=O)N1CC(=O)NC(CCC)C1=NNN=N1	REAL000000001368	1	42	0.0	-18.80	357.14	4.96	-13.83
CCCC(NC(=O)C1CCN(C2=CC=C(C#N)C=N2)CC1)C1=NN=N[N-]1	REAL000000001369	0	47	-1.0	-48.81	387.04	4.61	-44.20
CCCC(NC(=O)C1CCN(C2=CC=C(C#N)C=N2)CC1)C1=N[N-]N=N1	REAL000000001369	1	47	-1.0	-48.80	386.98	4.61	-44.19
CCCC(NC(=O)C1CCN(C2=CC=C(C#N)C=N2)CC1)C1=NNN=N1	REAL000000001369	1	48	0.0	-15.60	390.41	4.62	-10.98
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C2=C1CCC2)C1=NN=N[N-]1	REAL000000001370	0	46	-1.0	-51.21	389.25	6.68	-44.53
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C2=C1CCC2)C1=N[N-]N=N1	REAL000000001370	1	46	-1.0	-51.21	389.20	6.68	-44.53
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C2=C1CCC2)C1=NNN=N1	REAL000000001370	1	47	0.0	-12.78	392.64	6.69	-6.09
CCCC(NC(=O)C1=CC=C(C)C(N2C=CC=C2)=C1)C1=NN=N[N-]1	REAL000000001371	0	43	-1.0	-49.32	356.38	7.20	-42.11
CCCC(NC(=O)C1=CC=C(C)C(N2C=CC=C2)=C1)C1=N[N-]N=N1	REAL000000001371	1	43	-1.0	-49.31	356.32	7.19	-42.12
CCCC(NC(=O)C1=CC=C(C)C(N2C=CC=C2)=C1)C1=NNN=N1	REAL000000001371	1	44	0.0	-13.74	359.76	7.21	-6.53
CCCC(NC(=O)CC1=CC=C2OCCC2=C1)C1=NN=N[N-]1	REAL000000001372	0	40	-1.0	-48.56	334.87	4.16	-44.40
CCCC(NC(=O)CC1=CC=C2OCCC2=C1)C1=N[N-]N=N1	REAL000000001372	1	40	-1.0	-48.55	334.81	4.16	-44.39
CCCC(NC(=O)CC1=CC=C2OCCC2=C1)C1=NNN=N1	REAL000000001372	1	41	0.0	-11.06	331.06	3.85	-7.21
CCCC(NC(=O)CNC(=O)NC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000001373	0	41	-1.0	-45.47	348.07	1.38	-44.09
CCCC(NC(=O)CNC(=O)NC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000001373	1	41	-1.0	-45.47	348.01	1.38	-44.09
CCCC(NC(=O)CNC(=O)NC1=CC=CC=C1)C1=NNN=N1	REAL000000001373	1	42	0.0	-13.32	351.45	1.39	-11.93
CCCC(NC(=O)C=CC1=CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL000000001374	0	39	-1.0	-47.03	339.09	5.41	-41.62
CCCC(NC(=O)C=CC1=CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL000000001374	1	39	-1.0	-47.03	339.03	5.41	-41.62
CCCC(NC(=O)C=CC1=CC2=CC=CC=C2O1)C1=NNN=N1	REAL000000001374	1	40	0.0	-11.64	342.47	5.42	-6.22
CCCC(NC(=O)C=CC1=CC=C2OCCC2=C1)C1=NN=N[N-]1	REAL000000001375	0	41	-1.0	-47.58	344.77	4.70	-42.88
CCCC(NC(=O)C=CC1=CC=C2OCCC2=C1)C1=N[N-]N=N1	REAL000000001375	1	41	-1.0	-47.58	344.71	4.69	-42.89
CCCC(NC(=O)C=CC1=CC=C2OCCC2=C1)C1=NNN=N1	REAL000000001375	1	42	0.0	-9.63	340.95	4.38	-5.25
CCCC(NC(=O)CN1C(=O)C(C)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000001376	0	44	-1.0	-57.54	365.78	3.79	-53.75
CCCC(NC(=O)CN1C(=O)C(C)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000001376	1	44	-1.0	-57.54	365.73	3.78	-53.76
CCCC(NC(=O)CN1C(=O)C(C)OC2=CC=CC=C21)C1=NNN=N1	REAL000000001376	1	45	0.0	-18.53	369.16	3.80	-14.73
CCCC(NC(=O)C1=C(C)C=C(NC(=O)C2=CC=CO2)S1)C1=NN=N[N-]1	REAL000000001377	0	43	-1.0	-51.42	379.45	3.46	-47.96
CCCC(NC(=O)C1=C(C)C=C(NC(=O)C2=CC=CO2)S1)C1=N[N-]N=N1	REAL000000001377	1	43	-1.0	-51.42	379.39	3.46	-47.96
CCCC(NC(=O)C1=C(C)C=C(NC(=O)C2=CC=CO2)S1)C1=NNN=N1	REAL000000001377	1	44	0.0	-11.58	375.62	3.15	-8.43
CCCC(NC(=O)C(C)NC(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL000000001378	0	39	-1.0	-46.39	345.03	1.98	-44.41
CCCC(NC(=O)C(C)NC(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL000000001378	1	39	-1.0	-46.39	344.97	1.97	-44.42
CCCC(NC(=O)C(C)NC(=O)C1=CC=CS1)C1=NNN=N1	REAL000000001378	1	40	0.0	-11.57	348.41	1.99	-9.58
CCCC(NC(=O)C=CC1=CC=C(N2CCCC2=O)C=C1)C1=NN=N[N-]1	REAL000000001379	0	47	-1.0	-53.22	386.51	5.97	-47.25
CCCC(NC(=O)C=CC1=CC=C(N2CCCC2=O)C=C1)C1=N[N-]N=N1	REAL000000001379	1	47	-1.0	-53.22	386.46	5.97	-47.25
CCCC(NC(=O)C=CC1=CC=C(N2CCCC2=O)C=C1)C1=NNN=N1	REAL000000001379	1	48	0.0	-14.50	382.69	5.66	-8.84
CCCC(NC(=O)C1=CN(C2=CC=C(Br)C=C2)N=N1)C1=NN=N[N-]1	REAL000000001380	0	38	-1.0	-44.24	352.94	3.95	-40.28
CCCC(NC(=O)C1=CN(C2=CC=C(Br)C=C2)N=N1)C1=N[N-]N=N1	REAL000000001380	1	38	-1.0	-44.23	352.88	3.96	-40.28
CCCC(NC(=O)C1=CN(C2=CC=C(Br)C=C2)N=N1)C1=NNN=N1	REAL000000001380	1	39	0.0	-10.67	356.31	3.96	-6.71
CCCC(NC(=O)C=CC1=C(Cl)N(C)N=C1C)C1=NN=N[N-]1	REAL000000001381	0	39	-1.0	-46.07	350.48	3.65	-42.43
CCCC(NC(=O)C=CC1=C(Cl)N(C)N=C1C)C1=N[N-]N=N1	REAL000000001381	1	39	-1.0	-46.07	350.42	3.65	-42.43
CCCC(NC(=O)C=CC1=C(Cl)N(C)N=C1C)C1=NNN=N1	REAL000000001381	1	40	0.0	-11.50	353.85	3.66	-7.84
CCCC(NC(=O)CCC1=NC=C(C2=CC=C(C)C=C2)O1)C1=NN=N[N-]1	REAL000000001382	0	47	-1.0	-47.27	396.97	4.27	-43.00
CCCC(NC(=O)CCC1=NC=C(C2=CC=C(C)C=C2)O1)C1=N[N-]N=N1	REAL000000001382	1	47	-1.0	-47.26	396.91	4.27	-42.99
CCCC(NC(=O)CCC1=NC=C(C2=CC=C(C)C=C2)O1)C1=NNN=N1	REAL000000001382	1	48	0.0	-10.31	393.11	3.95	-6.35
CCCC(NC(=O)C1=CC2=C(S1)N(C)N=C2C)C1=NN=N[N-]1	REAL000000001383	0	38	-1.0	-46.43	337.99	3.35	-43.07
CCCC(NC(=O)C1=CC(C2=CC=CC=C2Cl)=NN1)C1=NN=N[N-]1	REAL000000001384	0	39	-1.0	-45.59	348.15	4.35	-41.24
CCCC(NC(=O)C1=CC(C2=CC=CC=C2Cl)=NN1)C1=N[N-]N=N1	REAL000000001384	1	39	-1.0	-45.59	348.10	4.35	-41.24
CCCC(NC(=O)C1=CC(C2=CC=CC=C2Cl)=NN1)C1=NNN=N1	REAL000000001384	1	40	0.0	-12.67	351.53	4.36	-8.31
CCCC(NC(=O)CCOC1=CC=CC=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000001385	0	49	-1.0	-46.40	407.58	7.73	-38.67
CCCC(NC(=O)CCOC1=CC=CC=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000001385	1	49	-1.0	-46.41	407.52	7.73	-38.68
CCCC(NC(=O)CCOC1=CC=CC=C1C1=CC=CC=C1)C1=NNN=N1	REAL000000001385	1	50	0.0	-11.99	410.96	7.74	-4.25
CCCC(NC(=O)C1=CC=C(S(C)=O)C=C1)C1=NN=N[N-]1	REAL000000001386	0	37	-1.0	-58.53	326.54	2.25	-56.28
CCCC(NC(=O)C1=CC=C(S(C)=O)C=C1)C1=N[N-]N=N1	REAL000000001386	1	37	-1.0	-58.52	326.49	2.25	-56.27
CCCC(NC(=O)C1=CC=C(S(C)=O)C=C1)C1=NNN=N1	REAL000000001386	1	38	0.0	-19.78	322.72	1.93	-17.86
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C2=C1CCC2)C1=NN=N[N-]1	REAL000000001387	0	46	-1.0	-52.91	381.20	6.56	-46.35
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C2=C1CCC2)C1=N[N-]N=N1	REAL000000001387	1	46	-1.0	-52.92	381.14	6.56	-46.36
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C2=C1CCC2)C1=NNN=N1	REAL000000001387	1	47	0.0	-13.67	384.60	6.57	-7.10
CCCC(NC(=O)C1=CC=C(N2CCNC2=O)C=C1)C1=NN=N[N-]1	REAL000000001388	0	42	-1.0	-53.11	346.70	2.39	-50.72
CCCC(NC(=O)C1=CC=C(N2CCNC2=O)C=C1)C1=N[N-]N=N1	REAL000000001388	1	42	-1.0	-53.11	346.65	2.39	-50.73
CCCC(NC(=O)C1=CC=C(N2CCNC2=O)C=C1)C1=NNN=N1	REAL000000001388	1	43	0.0	-16.96	350.08	2.40	-14.56
CCCC(NC(=O)C1=CN=C2C(=C1)C=NN2C(C)C)C1=NN=N[N-]1	REAL000000001389	0	43	-1.0	-46.08	361.42	4.38	-41.69
CCCC(NC(=O)C1=CN=C2C(=C1)C=NN2C(C)C)C1=N[N-]N=N1	REAL000000001389	1	43	-1.0	-46.08	361.36	4.38	-41.70
CCCC(NC(=O)C1=CN=C2C(=C1)C=NN2C(C)C)C1=NNN=N1	REAL000000001389	1	44	0.0	-10.24	357.60	4.06	-6.18
CCCC(NC(=O)C1=C2C(C)=NOC2=NC(C(C)C)=C1)C1=NN=N[N-]1	REAL000000001390	0	45	-1.0	-44.69	369.01	2.40	-42.29
CCCC(NC(=O)C1=C2C(C)=NOC2=NC(C(C)C)=C1)C1=N[N-]N=N1	REAL000000001390	1	45	-1.0	-44.67	368.95	2.40	-42.27
CCCC(NC(=O)C1=C2C(C)=NOC2=NC(C(C)C)=C1)C1=NNN=N1	REAL000000001390	1	46	0.0	-13.54	372.37	2.41	-11.13
CCCC(NC(=O)C1=C2C(C)=NOC2=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL000000001391	0	43	-1.0	-43.56	354.70	2.67	-40.89
CCCC(NC(=O)C1=C2C(C)=NOC2=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL000000001391	1	43	-1.0	-43.55	354.64	2.67	-40.88
CCCC(NC(=O)C1=C2C(C)=NOC2=NC(C2CC2)=C1)C1=NNN=N1	REAL000000001391	1	44	0.0	-14.46	358.08	2.68	-11.78
CCCC(NC(=O)C=CC1=CC=CC(OCC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000001392	0	50	-1.0	-49.39	420.13	8.11	-41.28
CCCC(NC(=O)C=CC1=CC=CC(OCC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000001392	1	50	-1.0	-49.39	420.07	8.11	-41.28
CCCC(NC(=O)C=CC1=CC=CC(OCC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000001392	1	51	0.0	-13.88	423.51	8.12	-5.76
CCCC(NC(=O)C1CCN(C2=NC3=CC=CC=C3O2)CC1)C1=NN=N[N-]1	REAL000000001393	0	49	-1.0	-49.39	396.22	2.53	-46.86
CCCC(NC(=O)C1CCN(C2=NC3=CC=CC=C3O2)CC1)C1=N[N-]N=N1	REAL000000001393	1	49	-1.0	-49.39	396.16	2.53	-46.86
CCCC(NC(=O)C1CCN(C2=NC3=CC=CC=C3O2)CC1)C1=NNN=N1	REAL000000001393	1	50	0.0	-15.78	399.60	2.54	-13.25
CCCC(NC(=O)CCC1=C(C)N=C(SC)NC1=O)C1=NN=N[N-]1	REAL000000001394	0	44	-1.0	-55.80	379.10	2.87	-52.93
CCCC(NC(=O)CCC1=C(C)N=C(SC)NC1=O)C1=N[N-]N=N1	REAL000000001394	1	44	-1.0	-55.80	379.04	2.86	-52.93
CCCC(NC(=O)C1=CC=C(NC(=O)C2CC2)S1)C1=NN=N[N-]1	REAL000000001395	0	40	-1.0	-51.58	353.55	3.26	-48.33
CCCC(NC(=O)C1=CC=C(NC(=O)C2CC2)S1)C1=N[N-]N=N1	REAL000000001395	1	40	-1.0	-51.58	353.49	3.26	-48.33
CCCC(NC(=O)C1=CC=C(NC(=O)C2CC2)S1)C1=NNN=N1	REAL000000001395	1	41	0.0	-13.70	356.92	3.27	-10.44
CCCC(NC(=O)CC1SC2=CC=C(Cl)C=C2NC1=O)C1=NN=N[N-]1	REAL000000001396	0	41	-1.0	-45.25	372.16	3.83	-41.42
CCCC(NC(=O)CC1SC2=CC=C(Cl)C=C2NC1=O)C1=N[N-]N=N1	REAL000000001396	1	41	-1.0	-45.23	372.10	3.83	-41.40
CCCC(NC(=O)CC1SC2=CC=C(Cl)C=C2NC1=O)C1=NNN=N1	REAL000000001396	1	42	0.0	-11.85	375.49	3.85	-8.00
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000001397	0	43	-1.0	-48.94	353.14	4.59	-44.36
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000001397	1	43	-1.0	-48.94	353.08	4.59	-44.35
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2)C1)C1=NNN=N1	REAL000000001397	1	44	0.0	-18.48	356.96	4.64	-13.84
CCCC(NC(=O)C1=CN(C2=CC=C(Cl)C=C2)N=N1)C1=NN=N[N-]1	REAL000000001398	0	38	-1.0	-44.41	348.37	3.85	-40.56
CCCC(NC(=O)C1=CN(C2=CC=C(Cl)C=C2)N=N1)C1=N[N-]N=N1	REAL000000001398	1	38	-1.0	-44.40	348.31	3.84	-40.56
CCCC(NC(=O)C1=CN(C2=CC=C(Cl)C=C2)N=N1)C1=NNN=N1	REAL000000001398	1	39	0.0	-10.78	351.75	3.86	-6.91
CCCC(NC(=O)C1=CSC2=CC=CC=C12)C1=NN=N[N-]1	REAL000000001399	0	35	-1.0	-49.16	308.73	4.96	-44.20
CCCC(NC(=O)C1=CSC2=CC=CC=C12)C1=N[N-]N=N1	REAL000000001399	1	35	-1.0	-49.16	308.67	4.96	-44.20
CCCC(NC(=O)C1=CSC2=CC=CC=C12)C1=NNN=N1	REAL000000001399	1	36	0.0	-12.33	312.10	4.97	-7.37
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1)C1=NN=N[N-]1	REAL000000001400	0	45	-1.0	-53.41	402.11	8.18	-45.22
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1)C1=N[N-]N=N1	REAL000000001400	1	45	-1.0	-53.41	402.05	8.18	-45.23
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1)C1=NNN=N1	REAL000000001400	1	46	0.0	-17.14	405.49	8.19	-8.95
CCCC(NC(=O)C1=CC=C(CN2CC(C)OC(C)C2)C=C1)C1=NN=N[N-]1	REAL000000001401	0	54	-1.0	-47.04	421.01	4.52	-42.52
CCCC(NC(=O)C1=C(C)N=C2C=C(F)C=CC2=C1)C1=NN=N[N-]1	REAL000000001402	0	40	-1.0	-45.40	338.30	4.73	-40.66
CCCC(NC(=O)C1=C(C)N=C2C=C(F)C=CC2=C1)C1=N[N-]N=N1	REAL000000001402	1	40	-1.0	-45.39	338.25	4.74	-40.66
CCCC(NC(=O)C1=C(C)N=C2C=C(F)C=CC2=C1)C1=NNN=N1	REAL000000001402	1	41	0.0	-10.30	334.51	4.41	-5.89
C#CCNS(=O)(=O)C1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000001403	0	42	-1.0	-49.74	377.72	1.16	-48.58
C#CCNS(=O)(=O)C1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000001403	1	42	-1.0	-49.73	377.67	1.15	-48.57
C#CCNS(=O)(=O)C1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000001403	1	43	0.0	-17.39	381.10	1.17	-16.22
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NCCOC)C=C1)C1=NN=N[N-]1	REAL000000001404	0	47	-1.0	-50.10	405.32	-0.23	-50.33
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NCCOC)C=C1)C1=N[N-]N=N1	REAL000000001404	1	47	-1.0	-50.10	405.26	-0.23	-50.33
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NCCOC)C=C1)C1=NNN=N1	REAL000000001404	1	48	0.0	-17.22	408.69	-0.22	-17.44
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C)C=C1)C1=NN=N[N-]1	REAL000000001405	0	49	-1.0	-49.47	407.45	3.09	-46.38
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C)C=C1)C1=N[N-]N=N1	REAL000000001405	1	49	-1.0	-49.47	407.39	3.09	-46.38
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C)C=C1)C1=NNN=N1	REAL000000001405	1	50	0.0	-15.65	411.66	3.08	-12.57
CCCC(NC(=O)C1=CC=C2C=C(OC)C=CC2=N1)C1=NN=N[N-]1	REAL000000001406	0	41	-1.0	-47.72	347.16	3.38	-44.34
CCCC(NC(=O)C1=CC=C2C=C(OC)C=CC2=N1)C1=N[N-]N=N1	REAL000000001406	1	41	-1.0	-47.73	347.10	3.37	-44.35
CCCC(NC(=O)C1=CC=C2C=C(OC)C=CC2=N1)C1=NNN=N1	REAL000000001406	1	42	0.0	-11.25	350.54	3.39	-7.86
CCCC(NC(=O)CCC1=CC=C(C)C=C1C)C1=NN=N[N-]1	REAL000000001407	0	44	-1.0	-45.29	357.13	6.26	-39.02
CCCC(NC(=O)CCC1=CC=C(C)C=C1C)C1=N[N-]N=N1	REAL000000001407	1	44	-1.0	-45.28	357.07	6.26	-39.02
CCCC(NC(=O)CCC1=CC=C(C)C=C1C)C1=NNN=N1	REAL000000001407	1	45	0.0	-9.97	360.50	6.27	-3.70
CCCC(NC(=O)C1=CC(Cl)=C(OCC(N)=O)C(OC)=C1)C1=NN=N[N-]1	REAL000000001408	0	44	-1.0	-49.18	391.54	1.50	-47.68
CCCC(NC(=O)C1=CC(Cl)=C(OCC(N)=O)C(OC)=C1)C1=N[N-]N=N1	REAL000000001408	1	44	-1.0	-49.18	391.48	1.49	-47.69
CCCC(NC(=O)C1=CC(Cl)=C(OCC(N)=O)C(OC)=C1)C1=NNN=N1	REAL000000001408	1	45	0.0	-17.90	394.92	1.51	-16.39
CCCC(NC(=O)C1=CC(S(=O)(=O)NC2CC2)=CC=C1C)C1=NN=N[N-]1	REAL000000001409	0	47	-1.0	-48.26	399.40	2.19	-46.07
CCCC(NC(=O)C1=CC(S(=O)(=O)NC2CC2)=CC=C1C)C1=N[N-]N=N1	REAL000000001409	1	47	-1.0	-48.26	399.34	2.18	-46.08
CCCC(NC(=O)C1=CC(S(=O)(=O)NC2CC2)=CC=C1C)C1=NNN=N1	REAL000000001409	1	48	0.0	-12.14	395.61	1.87	-10.27
CCCC(NC(=O)C1=C2C=NN(C(C)C)C2=NC(C2=CC=CO2)=C1)C1=NN=N[N-]1	REAL000000001410	0	50	-1.0	-47.44	420.65	6.06	-41.39
CCCC(NC(=O)C1=C2C=NN(C(C)C)C2=NC(C2=CC=CO2)=C1)C1=N[N-]N=N1	REAL000000001410	1	50	-1.0	-47.44	420.59	6.05	-41.40
CCCC(NC(=O)C1=C2C=NN(C(C)C)C2=NC(C2=CC=CO2)=C1)C1=NNN=N1	REAL000000001410	1	51	0.0	-13.53	424.03	6.07	-7.46
CCCC(NC(=O)C1=C2C=NN(CC)C2=NC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000001411	0	50	-1.0	-47.37	414.85	7.25	-40.12
CCCC(NC(=O)C1=C2C=NN(CC)C2=NC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000001411	1	50	-1.0	-47.36	414.79	7.24	-40.13
CCCC(NC(=O)C1=C2C=NN(CC)C2=NC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000001411	1	51	0.0	-14.60	418.23	7.26	-7.35
CCCC(NC(=O)C1=CC(OC)=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000001412	0	38	-1.0	-43.77	332.01	3.63	-40.13
CCCC(NC(=O)C1=CC(OC)=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000001412	1	38	-1.0	-43.76	331.96	3.62	-40.14
CCCC(NC(=O)C1=CC(OC)=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000001412	1	39	0.0	-8.70	328.20	3.31	-5.40
CCCC(NC(=O)C1=C2C=NN(C(C)C)C2=NC(C)=C1)C1=NN=N[N-]1	REAL000000001413	0	46	-1.0	-48.11	380.62	4.92	-43.19
CCCC(NC(=O)C1=C2C=NN(C(C)C)C2=NC(C)=C1)C1=N[N-]N=N1	REAL000000001413	1	46	-1.0	-48.10	380.57	4.91	-43.19
CCCC(NC(=O)C1=C2C=NN(C(C)C)C2=NC(C)=C1)C1=NNN=N1	REAL000000001413	1	47	0.0	-14.68	384.00	4.93	-9.75
CCCC(NC(=O)CCC1=NC=C(C2=CC=CC=C2F)O1)C1=NN=N[N-]1	REAL000000001414	0	44	-1.0	-47.36	383.08	3.69	-43.67
CCCC(NC(=O)CCC1=NC=C(C2=CC=CC=C2F)O1)C1=N[N-]N=N1	REAL000000001414	1	44	-1.0	-47.36	383.02	3.69	-43.67
CCCC(NC(=O)CCC1=NC=C(C2=CC=CC=C2F)O1)C1=NNN=N1	REAL000000001414	1	45	0.0	-11.30	379.23	3.38	-7.92
CCCC(NC(=O)CCOC1=CC=CC(C)=C1C)C1=NN=N[N-]1	REAL000000001415	0	45	-1.0	-45.93	365.92	5.26	-40.67
CCCC(NC(=O)CCOC1=CC=CC(C)=C1C)C1=N[N-]N=N1	REAL000000001415	1	45	-1.0	-45.92	365.86	5.26	-40.66
CCCC(NC(=O)CCOC1=CC=CC(C)=C1C)C1=NNN=N1	REAL000000001415	1	46	0.0	-8.58	362.11	4.94	-3.64
CCCC(NC(=O)C=CC1=CC=CC(OCC2=CSC(C)=N2)=C1)C1=NN=N[N-]1	REAL000000001416	0	49	-1.0	-49.55	425.19	5.94	-43.60
CCCC(NC(=O)C=CC1=CC=CC(OCC2=CSC(C)=N2)=C1)C1=N[N-]N=N1	REAL000000001416	1	49	-1.0	-49.55	425.13	5.93	-43.62
CCCC(NC(=O)C=CC1=CC=CC(OCC2=CSC(C)=N2)=C1)C1=NNN=N1	REAL000000001416	1	50	0.0	-14.22	428.56	5.95	-8.27
CCCC(NC(=O)C1CCN(S(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL000000001417	0	43	-1.0	-54.46	354.50	0.36	-54.09
CCCC(NC(=O)C1CCN(S(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL000000001417	1	43	-1.0	-54.45	354.44	0.35	-54.10
CCCC(NC(=O)C1CCN(S(C)(=O)=O)CC1)C1=NNN=N1	REAL000000001417	1	44	0.0	-16.37	358.36	0.34	-16.03
CCCC(NC(=O)CSC1=NN=CN1C1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL000000001418	0	48	-1.0	-48.58	412.91	8.51	-40.07
CCCC(NC(=O)CSC1=NN=CN1C1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL000000001418	1	48	-1.0	-48.57	412.86	8.51	-40.06
CCCC(NC(=O)CSC1=NN=CN1C1=CC=C(C)C(C)=C1)C1=NNN=N1	REAL000000001418	1	49	0.0	-14.50	416.29	8.52	-5.98
CCCC(NC(=O)C=CC1=C2N=CC=CC2=CC=C1)C1=NN=N[N-]1	REAL000000001419	0	41	-1.0	-55.59	349.70	5.37	-50.22
CCCC(NC(=O)C=CC1=C2N=CC=CC2=CC=C1)C1=N[N-]N=N1	REAL000000001419	1	41	-1.0	-55.59	349.65	5.37	-50.22
CCCC(NC(=O)C=CC1=C2N=CC=CC2=CC=C1)C1=NNN=N1	REAL000000001419	1	42	0.0	-17.58	353.08	5.38	-12.20
CCCC(NC(=O)CCC1=C(C)N=C2C(=C1C)C(C)=NN2C)C1=NN=N[N-]1	REAL000000001420	0	52	-1.0	-47.60	414.17	5.67	-41.92
CCCC(NC(=O)CCC1=C(C)N=C2C(=C1C)C(C)=NN2C)C1=N[N-]N=N1	REAL000000001420	1	52	-1.0	-47.60	414.11	5.66	-41.93
CCCC(NC(=O)CCC1=C(C)N=C2C(=C1C)C(C)=NN2C)C1=NNN=N1	REAL000000001420	1	53	0.0	-13.76	410.36	5.35	-8.41
CCCC(NC(=O)COC1=CC=C(OC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000001421	0	47	-1.0	-49.46	396.59	7.04	-42.42
CCCC(NC(=O)COC1=CC=C(OC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000001421	1	47	-1.0	-49.45	396.53	7.04	-42.41
CCCC(NC(=O)COC1=CC=C(OC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000001421	1	48	0.0	-15.45	399.96	7.05	-8.40
CCCC(NC(=O)C=CC1=CC=C(NC(C)=O)C=C1)C1=NN=N[N-]1	REAL000000001422	0	43	-1.0	-54.02	365.15	3.74	-50.28
CCCC(NC(=O)C=CC1=CC=C(NC(C)=O)C=C1)C1=N[N-]N=N1	REAL000000001422	1	43	-1.0	-54.02	365.10	3.74	-50.29
CCCC(NC(=O)C=CC1=CC=C(NC(C)=O)C=C1)C1=NNN=N1	REAL000000001422	1	44	0.0	-18.10	368.55	3.75	-14.35
CCCC(NC(=O)C1=CC(Cl)=C(Cl)N1)C1=NN=N[N-]1	REAL000000001423	0	30	-1.0	-41.81	295.29	2.35	-39.46
CCCC(NC(=O)C1=CC(Cl)=C(Cl)N1)C1=N[N-]N=N1	REAL000000001423	1	30	-1.0	-41.81	295.24	2.34	-39.47
CCCC(NC(=O)C1=CC(Cl)=C(Cl)N1)C1=NNN=N1	REAL000000001423	1	31	0.0	-9.69	298.67	2.36	-7.33
CCCC(NC(=O)C1CC(=O)NC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL000000001424	0	40	-1.0	-46.61	341.06	2.72	-43.89
CCCC(NC(=O)C1CC(=O)NC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL000000001424	1	40	-1.0	-46.60	341.00	2.72	-43.88
CCCC(NC(=O)C1CC(=O)NC2=CC(F)=CC=C21)C1=NNN=N1	REAL000000001424	1	41	0.0	-14.17	337.27	2.40	-11.77
CCCC(NC(=O)CCNC(=O)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000001425	0	45	-1.0	-55.73	380.07	3.45	-52.27
CCCC(NC(=O)CCNC(=O)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000001425	1	45	-1.0	-55.72	380.01	3.44	-52.28
CCCC(NC(=O)CCNC(=O)CC1=CC=CC=C1)C1=NNN=N1	REAL000000001425	1	46	0.0	-17.58	376.28	3.13	-14.46
CCCC(NC(=O)C=CC1=CC=C(OCC2=CSC(C)=N2)C=C1)C1=NN=N[N-]1	REAL000000001426	0	49	-1.0	-48.75	425.13	5.95	-42.79
CCCC(NC(=O)C=CC1=CC=C(OCC2=CSC(C)=N2)C=C1)C1=N[N-]N=N1	REAL000000001426	1	49	-1.0	-48.74	425.07	5.95	-42.80
CCCC(NC(=O)C=CC1=CC=C(OCC2=CSC(C)=N2)C=C1)C1=NNN=N1	REAL000000001426	1	50	0.0	-13.62	428.50	5.96	-7.66
CCCC(NC(=O)CCC1CC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL000000001427	0	46	-1.0	-49.35	376.04	4.03	-45.32
CCCC(NC(=O)CCC1CC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL000000001427	1	46	-1.0	-49.35	375.99	4.04	-45.32
CCCC(NC(=O)CCC1CC2=CC=CC=C2NC1=O)C1=NNN=N1	REAL000000001427	1	47	0.0	-12.41	379.38	4.04	-8.36
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(=O)C=C1)C1=NN=N[N-]1	REAL000000001428	0	41	-1.0	-45.19	354.36	4.19	-41.00
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(=O)C=C1)C1=N[N-]N=N1	REAL000000001428	1	41	-1.0	-45.19	354.30	4.18	-41.00
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(=O)C=C1)C1=NNN=N1	REAL000000001428	1	42	0.0	-12.80	357.74	4.20	-8.60
CCCC(NC(=O)CC1=C(C)NC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000001429	0	42	-1.0	-48.54	350.33	4.88	-43.66
CCCC(NC(=O)CC1=C(C)NC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000001429	1	42	-1.0	-48.54	350.27	4.88	-43.66
CCCC(NC(=O)CC1=C(C)NC2=CC=CC=C21)C1=NNN=N1	REAL000000001429	1	43	0.0	-13.81	353.70	4.89	-8.92
CCCC(NC(=O)CCC1=NC=C(C2=CC=CC=C2Cl)O1)C1=NN=N[N-]1	REAL000000001430	0	44	-1.0	-46.59	390.86	4.01	-42.58
CCCC(NC(=O)CCC1=NC=C(C2=CC=CC=C2Cl)O1)C1=N[N-]N=N1	REAL000000001430	1	44	-1.0	-46.59	390.80	4.01	-42.58
CCCC(NC(=O)CCC1=NC=C(C2=CC=CC=C2Cl)O1)C1=NNN=N1	REAL000000001430	1	45	0.0	-13.03	394.23	4.01	-9.02
CCCC(NC(=O)CCC1=NC=C(C2=CC=C(Cl)C=C2)O1)C1=NN=N[N-]1	REAL000000001431	0	44	-1.0	-46.04	392.29	4.12	-41.92
CCCC(NC(=O)CCC1=NC=C(C2=CC=C(Cl)C=C2)O1)C1=N[N-]N=N1	REAL000000001431	1	44	-1.0	-46.04	392.23	4.11	-41.93
CCCC(NC(=O)CCC1=NC=C(C2=CC=C(Cl)C=C2)O1)C1=NNN=N1	REAL000000001431	1	45	0.0	-9.83	388.48	3.79	-6.04
CCCC(NC(=O)CCC1=NC=C(C2=CC=C(F)C=C2F)O1)C1=NN=N[N-]1	REAL000000001432	0	44	-1.0	-48.75	390.27	3.81	-44.94
CCCC(NC(=O)CCC1=NC=C(C2=CC=C(F)C=C2F)O1)C1=N[N-]N=N1	REAL000000001432	1	44	-1.0	-48.75	390.21	3.81	-44.94
CCCC(NC(=O)CCC1=NC=C(C2=CC=C(F)C=C2F)O1)C1=NNN=N1	REAL000000001432	1	45	0.0	-14.23	393.65	3.82	-10.41
CCCC(NC(=O)C1=CN=C2C(=C1)C=NN2CC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000001433	0	47	-1.0	-46.63	400.55	6.67	-39.96
CCCC(NC(=O)C1=CN=C2C(=C1)C=NN2CC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000001433	1	47	-1.0	-46.63	400.49	6.67	-39.96
CCCC(NC(=O)C1=CN=C2C(=C1)C=NN2CC1=CC=CC=C1)C1=NNN=N1	REAL000000001433	1	48	0.0	-10.83	396.74	6.35	-4.49
CCCC(NC(=O)C1=C(C)N(C2=CC=C(OC)C=C2)N=N1)C1=NN=N[N-]1	REAL000000001434	0	45	-1.0	-46.09	377.71	3.14	-42.95
CCCC(NC(=O)C1=C(C)N(C2=CC=C(OC)C=C2)N=N1)C1=N[N-]N=N1	REAL000000001434	1	45	-1.0	-46.09	377.66	3.14	-42.95
CCCC(NC(=O)C1=C(C)N(C2=CC=C(OC)C=C2)N=N1)C1=NNN=N1	REAL000000001434	1	46	0.0	-11.46	381.09	3.15	-8.30
CCCC(NC(=O)C1=CC(C2=CC=C(C)C=C2)=NN1)C1=NN=N[N-]1	REAL000000001435	0	42	-1.0	-44.83	357.20	4.35	-40.48
CCCC(NC(=O)C1=CC(C2=CC=C(C)C=C2)=NN1)C1=N[N-]N=N1	REAL000000001435	1	42	-1.0	-44.83	357.14	4.35	-40.49
CCCC(NC(=O)C1=CC(C2=CC=C(C)C=C2)=NN1)C1=NNN=N1	REAL000000001435	1	43	0.0	-9.16	353.38	4.03	-5.14
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NN1)C1=NN=N[N-]1	REAL000000001436	0	39	-1.0	-43.23	352.53	4.19	-39.05
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NN1)C1=N[N-]N=N1	REAL000000001436	1	39	-1.0	-43.23	352.47	4.19	-39.05
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NN1)C1=NNN=N1	REAL000000001436	1	40	0.0	-11.35	355.90	4.19	-7.15
CCCC(NC(=O)C1=CC=C(NC(N)=O)C=C1)C1=NN=N[N-]1	REAL000000001437	0	38	-1.0	-55.76	323.53	-0.27	-56.03
CCCC(NC(=O)C1=CC=C(NC(N)=O)C=C1)C1=N[N-]N=N1	REAL000000001437	1	38	-1.0	-55.76	323.47	-0.27	-56.03
CCCC(NC(=O)C1=CC=C(NC(N)=O)C=C1)C1=NNN=N1	REAL000000001437	1	39	0.0	-19.43	326.91	-0.26	-19.69
CCCC(NC(=O)C1=NOC(C2=CC=CC(Cl)=C2)=C1)C1=NN=N[N-]1	REAL000000001438	0	38	-1.0	-44.60	349.72	5.18	-39.42
CCCC(NC(=O)C1=NOC(C2=CC=CC(Cl)=C2)=C1)C1=N[N-]N=N1	REAL000000001438	1	38	-1.0	-44.60	349.66	5.17	-39.43
CCCC(NC(=O)C1=NOC(C2=CC=CC(Cl)=C2)=C1)C1=NNN=N1	REAL000000001438	1	39	0.0	-9.61	353.10	5.19	-4.42
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2F)=C1)C1=NN=N[N-]1	REAL000000001439	0	38	-1.0	-47.17	341.07	4.79	-42.37
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2F)=C1)C1=N[N-]N=N1	REAL000000001439	1	38	-1.0	-47.17	341.01	4.79	-42.37
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2F)=C1)C1=NNN=N1	REAL000000001439	1	39	0.0	-11.24	344.44	4.80	-6.43
CCCC(NC(=O)C1CC(=O)NC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000001440	0	40	-1.0	-56.69	334.65	2.66	-54.03
CCCC(NC(=O)C1CC(=O)NC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000001440	1	40	-1.0	-56.68	334.59	2.65	-54.03
CCCC(NC(=O)C1CC(=O)NC2=CC=CC=C21)C1=NNN=N1	REAL000000001440	1	41	0.0	-14.70	337.94	2.67	-12.03
CCCC(NC(=O)C1=CC=C(SCC2=CSC(C)=N2)C=C1)C1=NN=N[N-]1	REAL000000001441	0	45	-1.0	-48.57	402.36	6.24	-42.33
CCCC(NC(=O)C1=CC=C(SCC2=CSC(C)=N2)C=C1)C1=N[N-]N=N1	REAL000000001441	1	45	-1.0	-48.57	402.30	6.24	-42.33
CCCC(NC(=O)C1=CC=C(SCC2=CSC(C)=N2)C=C1)C1=NNN=N1	REAL000000001441	1	46	0.0	-10.62	398.56	5.91	-4.71
CCCC(NC(=O)C1=C(C)N(C2=CC=C(Cl)C=C2)N=C1)C1=NN=N[N-]1	REAL000000001442	0	42	-1.0	-45.30	367.01	5.73	-39.57
CCCC(NC(=O)C1=C(C)N(C2=CC=C(Cl)C=C2)N=C1)C1=N[N-]N=N1	REAL000000001442	1	42	-1.0	-45.30	366.95	5.72	-39.58
CCCC(NC(=O)C1=C(C)N(C2=CC=C(Cl)C=C2)N=C1)C1=NNN=N1	REAL000000001442	1	43	0.0	-11.37	372.01	5.77	-5.60
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC(Cl)=C2)S1)C1=NN=N[N-]1	REAL000000001443	0	43	-1.0	-47.73	393.86	8.13	-39.60
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC(Cl)=C2)S1)C1=N[N-]N=N1	REAL000000001443	1	43	-1.0	-47.73	393.81	8.13	-39.60
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC(Cl)=C2)S1)C1=NNN=N1	REAL000000001443	1	44	0.0	-11.44	397.24	8.14	-3.30
CCCC(NC(=O)CCC1=NC(C2=CC=C(C(C)C)C=C2)=NO1)C1=NN=N[N-]1	REAL000000001444	0	52	-1.0	-45.24	431.44	5.70	-39.54
CCCC(NC(=O)CCC1=NC(C2=CC=C(C(C)C)C=C2)=NO1)C1=N[N-]N=N1	REAL000000001444	1	52	-1.0	-45.24	431.38	5.69	-39.54
CCCC(NC(=O)CCC1=NC(C2=CC=C(C(C)C)C=C2)=NO1)C1=NNN=N1	REAL000000001444	1	53	0.0	-12.75	434.81	5.71	-7.04
CCCC(NC(=O)C1=CC=CC(OCC2=CC=CC(C)=C2)=C1)C1=NN=N[N-]1	REAL000000001445	0	49	-1.0	-51.28	407.01	7.59	-43.69
CCCC(NC(=O)C1=CC=CC(OCC2=CC=CC(C)=C2)=C1)C1=N[N-]N=N1	REAL000000001445	1	49	-1.0	-51.27	406.95	7.59	-43.68
CCCC(NC(=O)C1=CC=CC(OCC2=CC=CC(C)=C2)=C1)C1=NNN=N1	REAL000000001445	1	50	0.0	-14.77	410.38	7.60	-7.16
CCCC(NC(=O)C1=CN=C2C(=C1)C(C)=NN2C)C1=NN=N[N-]1	REAL000000001446	0	40	-1.0	-45.99	340.79	3.40	-42.59
CCCC(NC(=O)C1=CN=C2C(=C1)C(C)=NN2C)C1=N[N-]N=N1	REAL000000001446	1	40	-1.0	-45.99	340.73	3.40	-42.59
CCCC(NC(=O)C1=CN=C2C(=C1)C(C)=NN2C)C1=NNN=N1	REAL000000001446	1	41	0.0	-13.43	344.17	3.41	-10.02
CCCC(NC(=O)CCNC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000001447	0	42	-1.0	-46.27	359.44	4.17	-42.10
CCCC(NC(=O)CCNC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000001447	1	42	-1.0	-46.26	359.38	4.17	-42.09
CCCC(NC(=O)CCNC1=CC=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000001447	1	43	0.0	-13.64	362.82	4.18	-9.47
CCCC(NC(=O)C1=CC2=CC(OC)=C(OC)C(OC)=C2N1)C1=NN=N[N-]1	REAL000000001448	0	48	-1.0	-45.58	403.96	2.85	-42.73
CCCC(NC(=O)C1=CC2=CC(OC)=C(OC)C(OC)=C2N1)C1=N[N-]N=N1	REAL000000001448	1	48	-1.0	-45.58	403.90	2.85	-42.73
CCCC(NC(=O)C1=CC2=CC(OC)=C(OC)C(OC)=C2N1)C1=NNN=N1	REAL000000001448	1	49	0.0	-13.19	407.34	2.86	-10.33
CCCC(NC(=O)CN1C2=CC=CC=C2C(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000001449	0	47	-1.0	-59.11	390.91	7.22	-51.90
CCCC(NC(=O)CN1C2=CC=CC=C2C(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000001449	1	47	-1.0	-59.11	390.85	7.21	-51.90
CCCC(NC(=O)CN1C2=CC=CC=C2C(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000001449	1	48	0.0	-21.50	387.14	6.91	-14.59
CCCC(NC(=O)CC1=C(C)OC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL000000001450	0	44	-1.0	-50.87	375.33	3.46	-47.42
CCCC(NC(=O)CC1=C(C)OC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL000000001450	1	44	-1.0	-50.87	375.27	3.45	-47.43
CCCC(NC(=O)CC1=C(C)OC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000001450	1	45	0.0	-18.38	378.71	3.47	-14.91
CCCC(NC(=O)C1=CN(CC2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL000000001451	0	41	-1.0	-47.04	356.89	3.81	-43.23
CCCC(NC(=O)C1=CN(CC2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL000000001451	1	41	-1.0	-47.04	356.83	3.81	-43.23
CCCC(NC(=O)C1=CN(CC2=CC=CC=C2)N=N1)C1=NNN=N1	REAL000000001451	1	42	0.0	-12.77	360.26	3.82	-8.96
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2OC)=C1)C1=NN=N[N-]1	REAL000000001452	0	42	-1.0	-47.74	363.89	4.11	-43.63
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2OC)=C1)C1=N[N-]N=N1	REAL000000001452	1	42	-1.0	-47.74	363.84	4.10	-43.64
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2OC)=C1)C1=NNN=N1	REAL000000001452	1	43	0.0	-11.63	367.26	4.11	-7.51
CCCC(NC(=O)COC1=CC=CC(C(C)C)=C1)C1=NN=N[N-]1	REAL000000001453	0	45	-1.0	-49.45	368.11	6.15	-43.31
CCCC(NC(=O)COC1=CC=CC(C(C)C)=C1)C1=N[N-]N=N1	REAL000000001453	1	45	-1.0	-49.45	368.05	6.14	-43.31
CCCC(NC(=O)COC1=CC=CC(C(C)C)=C1)C1=NNN=N1	REAL000000001453	1	46	0.0	-14.14	371.48	6.15	-7.99
CCCC(NC(=O)C1=C2C(C)=NN(C)C2=NC(C)=C1)C1=NN=N[N-]1	REAL000000001454	0	43	-1.0	-44.71	356.80	3.83	-40.88
CCCC(NC(=O)C1=C2C(C)=NN(C)C2=NC(C)=C1)C1=N[N-]N=N1	REAL000000001454	1	43	-1.0	-44.71	356.74	3.82	-40.89
CCCC(NC(=O)C1=C2C(C)=NN(C)C2=NC(C)=C1)C1=NNN=N1	REAL000000001454	1	44	0.0	-14.35	355.94	3.99	-10.36
CCCC(NC(=O)CC(NC(N)=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000001455	0	44	-1.0	-46.12	361.01	0.75	-45.37
CCCC(NC(=O)CC(NC(N)=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000001455	1	44	-1.0	-46.11	360.95	0.74	-45.37
CCCC(NC(=O)CC(NC(N)=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000001455	1	45	0.0	-11.09	357.22	0.42	-10.66
CCCC(NC(=O)C1=C(C)N=C(COC2=CC=C(F)C=C2)S1)C1=NN=N[N-]1	REAL000000001456	0	45	-1.0	-45.24	396.75	4.79	-40.45
CCCC(NC(=O)C1=C(C)N=C(COC2=CC=C(F)C=C2)S1)C1=N[N-]N=N1	REAL000000001456	1	45	-1.0	-45.24	396.69	4.79	-40.44
CCCC(NC(=O)C1=C(C)N=C(COC2=CC=C(F)C=C2)S1)C1=NNN=N1	REAL000000001456	1	46	0.0	-9.87	392.95	4.47	-5.40
CCCC(NC(=O)CCN1C(=O)N(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000001457	0	45	-1.0	-49.40	379.59	5.53	-43.86
CCCC(NC(=O)CCN1C(=O)N(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000001457	1	45	-1.0	-49.40	379.53	5.53	-43.87
CCCC(NC(=O)CCN1C(=O)N(C)C2=CC=CC=C21)C1=NNN=N1	REAL000000001457	1	46	0.0	-15.71	382.97	5.54	-10.17
CCCC(NC(=O)C1=CC2=C(OC(F)F)C=CC=C2N1)C1=NN=N[N-]1	REAL000000001458	0	40	-1.0	-48.74	347.46	3.15	-45.59
CCCC(NC(=O)C1=CC2=C(OC(F)F)C=CC=C2N1)C1=N[N-]N=N1	REAL000000001458	1	40	-1.0	-48.74	347.40	3.15	-45.59
CCCC(NC(=O)C1=CC2=C(OC(F)F)C=CC=C2N1)C1=NNN=N1	REAL000000001458	1	41	0.0	-14.79	350.84	3.16	-11.63
CCCC(NC(=O)CCC1=NC=C(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL000000001459	0	44	-1.0	-47.36	375.57	3.61	-43.75
CCCC(NC(=O)CCC1=NC=C(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL000000001459	1	44	-1.0	-47.36	375.51	3.60	-43.76
CCCC(NC(=O)CCC1=NC=C(C2=CC=CC=C2)O1)C1=NNN=N1	REAL000000001459	1	45	0.0	-12.99	378.94	3.62	-9.38
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=NN1)C1=NN=N[N-]1	REAL000000001460	0	39	-1.0	-43.47	342.20	3.74	-39.73
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=NN1)C1=N[N-]N=N1	REAL000000001460	1	39	-1.0	-43.47	342.14	3.74	-39.73
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=NN1)C1=NNN=N1	REAL000000001460	1	40	0.0	-11.74	345.58	3.75	-7.99
CCCC(NC(=O)C1CCCN(C(=O)C2=CC=C(C)C=C2)C1)C1=NN=N[N-]1	REAL000000001461	0	52	-1.0	-49.95	411.55	6.06	-43.89
CCCC(NC(=O)C1CCCN(C(=O)C2=CC=C(C)C=C2)C1)C1=N[N-]N=N1	REAL000000001461	1	52	-1.0	-49.94	411.49	6.05	-43.89
CCCC(NC(=O)C1CCCN(C(=O)C2=CC=C(C)C=C2)C1)C1=NNN=N1	REAL000000001461	1	53	0.0	-13.22	416.16	6.11	-7.10
CCCC(NC(=O)C1=C2C(C)=NOC2=NC(C)=C1)C1=NN=N[N-]1	REAL000000001462	0	39	-1.0	-44.15	326.55	1.28	-42.87
CCCC(NC(=O)C1=C2C(C)=NOC2=NC(C)=C1)C1=N[N-]N=N1	REAL000000001462	1	39	-1.0	-44.15	326.49	1.28	-42.87
CCCC(NC(=O)C1=C2C(C)=NOC2=NC(C)=C1)C1=NNN=N1	REAL000000001462	1	40	0.0	-15.88	329.92	1.29	-14.59
CCCC(NC(=O)C1=C2C(C)=NOC2=NC(C2=CC=CO2)=C1)C1=NN=N[N-]1	REAL000000001463	0	43	-1.0	-43.51	366.63	2.41	-41.10
CCCC(NC(=O)C1=C2C(C)=NOC2=NC(C2=CC=CO2)=C1)C1=N[N-]N=N1	REAL000000001463	1	43	-1.0	-43.51	366.57	2.40	-41.11
CCCC(NC(=O)C1=C2C(C)=NOC2=NC(C2=CC=CO2)=C1)C1=NNN=N1	REAL000000001463	1	44	0.0	-11.67	362.83	2.09	-9.58
CCCC(NC(=O)C1=CC=C(CN2C=CC=N2)C=C1)C1=NN=N[N-]1	REAL000000001464	0	42	-1.0	-51.73	358.13	5.28	-46.45
CCCC(NC(=O)C1=CC=C(CN2C=CC=N2)C=C1)C1=N[N-]N=N1	REAL000000001464	1	42	-1.0	-51.73	358.07	5.29	-46.44
CCCC(NC(=O)C1=CC=C(CN2C=CC=N2)C=C1)C1=NNN=N1	REAL000000001464	1	43	0.0	-15.98	361.50	5.29	-10.69
CCCC(NC(=O)C1=C2C(C)=NOC2=NC(C2=C(C)OC(C)=C2)=C1)C1=NN=N[N-]1	REAL000000001465	0	49	-1.0	-44.79	408.95	4.50	-40.29
CCCC(NC(=O)C1=C2C(C)=NOC2=NC(C2=C(C)OC(C)=C2)=C1)C1=N[N-]N=N1	REAL000000001465	1	49	-1.0	-44.78	408.90	4.50	-40.28
CCCC(NC(=O)C1=C2C(C)=NOC2=NC(C2=C(C)OC(C)=C2)=C1)C1=NNN=N1	REAL000000001465	1	50	0.0	-14.49	408.38	4.58	-9.91
CCCC(NC(=O)CCCNC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL000000001466	0	47	-1.0	-47.71	380.00	2.53	-45.18
CCCC(NC(=O)CCCNC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL000000001466	1	47	-1.0	-47.71	379.94	2.53	-45.18
CCCC(NC(=O)CCCNC(=O)C(C)(C)C)C1=NNN=N1	REAL000000001466	1	48	0.0	-14.23	383.38	2.54	-11.69
CCCC(NC(=O)CC(NC(N)=O)C1=CC=CS1)C1=NN=N[N-]1	REAL000000001467	0	41	-1.0	-48.30	361.77	0.20	-48.09
CCCC(NC(=O)CC(NC(N)=O)C1=CC=CS1)C1=N[N-]N=N1	REAL000000001467	1	41	-1.0	-48.29	361.71	0.20	-48.10
CCCC(NC(=O)CC(NC(N)=O)C1=CC=CS1)C1=NNN=N1	REAL000000001467	1	42	0.0	-14.47	358.16	-0.15	-14.62
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)O1)C1=NN=N[N-]1	REAL000000001468	0	34	-1.0	-47.68	315.24	-3.35	-51.03
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)O1)C1=N[N-]N=N1	REAL000000001468	1	34	-1.0	-47.68	315.19	-3.36	-51.03
CCCC(NC(=O)C1CC(C2=CC=CC(F)=C2)=NO1)C1=NN=N[N-]1	REAL000000001469	0	40	-1.0	-53.35	348.60	5.09	-48.26
CCCC(NC(=O)C1CC(C2=CC=CC(F)=C2)=NO1)C1=N[N-]N=N1	REAL000000001469	1	40	-1.0	-53.35	348.54	5.08	-48.27
CCCC(NC(=O)C1CC(C2=CC=CC(F)=C2)=NO1)C1=NNN=N1	REAL000000001469	1	41	0.0	-14.24	344.81	4.67	-9.57
CCCC(NC(=O)C1=CC=C(CN2C=NC=N2)C=C1)C1=NN=N[N-]1	REAL000000001470	0	41	-1.0	-53.78	352.88	6.72	-47.06
CCCC(NC(=O)C1=CC=C(CN2C=NC=N2)C=C1)C1=N[N-]N=N1	REAL000000001470	1	41	-1.0	-53.78	352.82	6.71	-47.07
CCCC(NC(=O)C1=CC=C(CN2C=NC=N2)C=C1)C1=NNN=N1	REAL000000001470	1	42	0.0	-14.90	349.06	6.40	-8.50
CCCC(NC(=O)C1=CC=C(N2CCOCC2)N=C1)C1=NN=N[N-]1	REAL000000001471	0	44	-1.0	-46.02	355.99	1.89	-44.13
CCCC(NC(=O)C1=CC=C(N2CCOCC2)N=C1)C1=N[N-]N=N1	REAL000000001471	1	44	-1.0	-46.02	355.94	1.89	-44.13
CCCC(NC(=O)C1=CC=C(N2CCOCC2)N=C1)C1=NNN=N1	REAL000000001471	1	45	0.0	-9.11	352.19	1.56	-7.54
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC(C)=C2C)C1)C1=NN=N[N-]1	REAL000000001472	0	49	-1.0	-47.03	397.56	6.46	-40.57
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC(C)=C2C)C1)C1=N[N-]N=N1	REAL000000001472	1	49	-1.0	-47.03	397.50	6.46	-40.57
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC(C)=C2C)C1)C1=NNN=N1	REAL000000001472	1	50	0.0	-16.35	400.94	6.47	-9.88
CCCC(NC(=O)C(C)N1C(=O)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000001473	0	41	-1.0	-64.93	345.78	5.05	-59.88
CCCC(NC(=O)C(C)N1C(=O)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000001473	1	41	-1.0	-64.93	345.72	5.04	-59.89
CCCC(NC(=O)C(C)N1C(=O)OC2=CC=CC=C21)C1=NNN=N1	REAL000000001473	1	42	0.0	-18.91	341.93	4.67	-14.24
CCCC(NC(=O)CCC1=C(C)NC(=O)NC1=O)C1=NN=N[N-]1	REAL000000001474	0	41	-1.0	-57.53	346.60	-0.17	-57.70
CCCC(NC(=O)CCC1=C(C)NC(=O)NC1=O)C1=N[N-]N=N1	REAL000000001474	1	41	-1.0	-57.53	346.54	-0.17	-57.70
CCCC(NC(=O)CCC1=C(C)NC(=O)NC1=O)C1=NNN=N1	REAL000000001474	1	42	0.0	-17.73	349.13	-0.21	-17.95
CCCC(NC(=O)C1CC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL000000001475	0	37	-1.0	-45.12	322.56	5.15	-39.97
CCCC(NC(=O)C1CC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL000000001475	1	37	-1.0	-45.12	322.51	5.15	-39.97
CCCC(NC(=O)C1CC2=CC=CC=C2S1)C1=NNN=N1	REAL000000001475	1	38	0.0	-8.71	318.12	4.84	-3.87
CCCC(NC(=O)C1=C(C)N(C2=NOC(C)=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000001476	0	45	-1.0	-50.48	376.66	6.50	-43.98
CCCC(NC(=O)C1=C(C)N(C2=NOC(C)=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000001476	1	45	-1.0	-50.48	376.60	6.50	-43.98
CCCC(NC(=O)C1=C(C)N(C2=NOC(C)=C2)C(C)=C1)C1=NNN=N1	REAL000000001476	1	46	0.0	-12.48	371.45	6.31	-6.17
CCCC(NC(=O)CN1C(=O)N(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000001477	0	42	-1.0	-60.38	358.57	5.08	-55.30
CCCC(NC(=O)CN1C(=O)N(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000001477	1	42	-1.0	-60.37	358.51	5.07	-55.30
CCCC(NC(=O)CN1C(=O)N(C)C2=CC=CC=C21)C1=NNN=N1	REAL000000001477	1	43	0.0	-16.87	354.71	4.75	-12.12
CCCC(NC(=O)C1=CC=C(SC(F)F)C=C1)C1=NN=N[N-]1	REAL000000001478	0	36	-1.0	-46.31	324.00	4.91	-41.40
CCCC(NC(=O)C1=CC=C(SC(F)F)C=C1)C1=N[N-]N=N1	REAL000000001478	1	36	-1.0	-46.31	323.94	4.90	-41.40
CCCC(NC(=O)C1=CC=C(SC(F)F)C=C1)C1=NNN=N1	REAL000000001478	1	37	0.0	-11.17	327.38	4.92	-6.25
CCCC(NC(=O)C=CC1=C2C=CC=CC2=CC=C1)C1=NN=N[N-]1	REAL000000001479	0	42	-1.0	-49.22	352.19	6.98	-42.24
CCCC(NC(=O)C=CC1=C2C=CC=CC2=CC=C1)C1=N[N-]N=N1	REAL000000001479	1	42	-1.0	-49.23	352.13	6.97	-42.25
CCCC(NC(=O)C=CC1=C2C=CC=CC2=CC=C1)C1=NNN=N1	REAL000000001479	1	43	0.0	-12.83	355.57	6.99	-5.84
CCCC(NC(=O)CCN1C=NC2=C(C=CS2)C1=O)C1=NN=N[N-]1	REAL000000001480	0	40	-1.0	-47.98	356.21	4.37	-43.61
CCCC(NC(=O)CCN1C=NC2=C(C=CS2)C1=O)C1=N[N-]N=N1	REAL000000001480	1	40	-1.0	-47.98	356.15	4.36	-43.62
CCCC(NC(=O)CCN1C=NC2=C(C=CS2)C1=O)C1=NNN=N1	REAL000000001480	1	41	0.0	-19.49	359.58	4.38	-15.11
CCCC(NC(=O)C1=CC=CC(N2CCCS2(=O)=O)=C1)C1=NN=N[N-]1	REAL000000001481	0	44	-1.0	-69.56	371.82	2.24	-67.32
CCCC(NC(=O)C1=CC=CC(N2CCCS2(=O)=O)=C1)C1=N[N-]N=N1	REAL000000001481	1	44	-1.0	-69.56	371.76	2.25	-67.32
CCCC(NC(=O)C1=CC=CC(N2CCCS2(=O)=O)=C1)C1=NNN=N1	REAL000000001481	1	45	0.0	-24.71	368.01	1.93	-22.78
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=N1)C1=NN=N[N-]1	REAL000000001482	0	45	-1.0	-54.81	397.41	6.90	-47.91
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=N1)C1=N[N-]N=N1	REAL000000001482	1	45	-1.0	-54.81	397.36	6.89	-47.92
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=N1)C1=NNN=N1	REAL000000001482	1	46	0.0	-16.03	400.80	6.91	-9.12
CCCC(NC(=O)C1=CC=C(OCC(F)(F)F)N=C1)C1=NN=N[N-]1	REAL000000001483	0	38	-1.0	-43.82	342.89	1.76	-42.06
CCCC(NC(=O)C1=CC=C(OCC(F)(F)F)N=C1)C1=N[N-]N=N1	REAL000000001483	1	38	-1.0	-43.81	342.83	1.76	-42.05
CCCC(NC(=O)C1=CC=C(OCC(F)(F)F)N=C1)C1=NNN=N1	REAL000000001483	1	39	0.0	-11.37	346.27	1.77	-9.60
CCCC(NC(=O)CNC(=O)NCC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000001484	0	47	-1.0	-44.77	395.30	2.20	-42.57
CCCC(NC(=O)CNC(=O)NCC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000001484	1	47	-1.0	-44.77	395.24	2.19	-42.58
CCCC(NC(=O)CNC(=O)NCC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000001484	1	48	0.0	-12.29	398.68	2.20	-10.08
CCCC(NC(=O)CNC(=O)NCC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000001485	0	44	-1.0	-44.74	380.30	1.59	-43.14
CCCC(NC(=O)CNC(=O)NCC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000001485	1	44	-1.0	-44.74	380.24	1.58	-43.16
CCCC(NC(=O)CNC(=O)NCC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000001485	1	45	0.0	-12.85	383.68	1.60	-11.25
CCCC(NC(=O)C=CC1=CC=C(SC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000001486	0	40	-1.0	-44.91	365.05	6.30	-38.61
CCCC(NC(=O)C=CC1=CC=C(SC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000001486	1	40	-1.0	-44.91	364.99	6.30	-38.61
CCCC(NC(=O)C=CC1=CC=C(SC(F)(F)F)C=C1)C1=NNN=N1	REAL000000001486	1	41	0.0	-7.91	361.21	5.98	-1.93
CCCC(NC(=O)COC1=CC=CC=C1C(C)CC)C1=NN=N[N-]1	REAL000000001487	0	48	-1.0	-49.77	384.96	6.85	-42.92
CCCC(NC(=O)COC1=CC=CC=C1C(C)CC)C1=N[N-]N=N1	REAL000000001487	1	48	-1.0	-49.76	384.90	6.85	-42.91
CCCC(NC(=O)COC1=CC=CC=C1C(C)CC)C1=NNN=N1	REAL000000001487	1	49	0.0	-13.82	388.34	6.86	-6.96
CCCC(NC(=O)C1=CC2=CC(Br)=CC=C2OC1)C1=NN=N[N-]1	REAL000000001488	0	38	-1.0	-45.72	341.55	4.77	-40.94
CCCC(NC(=O)C1=CC2=CC(Br)=CC=C2OC1)C1=N[N-]N=N1	REAL000000001488	1	38	-1.0	-45.71	341.50	4.77	-40.95
CCCC(NC(=O)C1=CC2=CC(Br)=CC=C2OC1)C1=NNN=N1	REAL000000001488	1	39	0.0	-7.85	337.65	4.45	-3.40
CCCC(NC(=O)CN1C(=O)COC2=CC=C(Cl)C=C21)C1=NN=N[N-]1	REAL000000001489	0	41	-1.0	-54.51	362.19	3.60	-50.91
CCCC(NC(=O)CN1C(=O)COC2=CC=C(Cl)C=C21)C1=N[N-]N=N1	REAL000000001489	1	41	-1.0	-54.51	362.14	3.60	-50.90
CCCC(NC(=O)CN1C(=O)COC2=CC=C(Cl)C=C21)C1=NNN=N1	REAL000000001489	1	42	0.0	-16.66	365.55	3.63	-13.04
CCCC(NC(=O)C1=CC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL000000001490	0	38	-1.0	-52.73	323.40	2.99	-49.74
CCCC(NC(=O)C1=CC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL000000001490	1	38	-1.0	-52.73	323.34	2.99	-49.75
CCCC(NC(=O)C1=CC2=CC=CC=C2NC1=O)C1=NNN=N1	REAL000000001490	1	39	0.0	-13.62	326.92	2.99	-10.63
CCCC(NC(=O)CSC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000001491	0	48	-1.0	-46.26	393.65	7.12	-39.14
CCCC(NC(=O)CSC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000001491	1	48	-1.0	-46.26	393.59	7.12	-39.14
CCCC(NC(=O)CSC1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000001491	1	49	0.0	-12.01	397.03	7.13	-4.88
CCCC(NC(=O)C1CC2=CC=C(C)C=C2S1)C1=NN=N[N-]1	REAL000000001492	0	40	-1.0	-44.18	343.38	5.83	-38.35
CCCC(NC(=O)C1CC2=CC=C(C)C=C2S1)C1=N[N-]N=N1	REAL000000001492	1	40	-1.0	-44.18	343.32	5.83	-38.35
CCCC(NC(=O)C1CC2=CC=C(C)C=C2S1)C1=NNN=N1	REAL000000001492	1	41	0.0	-11.40	347.37	5.83	-5.57
CCCC(NC(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL000000001493	0	40	-1.0	-50.33	347.76	0.37	-49.97
CCCC(NC(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL000000001493	1	40	-1.0	-50.34	347.70	0.37	-49.97
CCCC(NC(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C1=NNN=N1	REAL000000001493	1	41	0.0	-16.47	351.13	0.38	-16.09
CCCC(NC(=O)C=CC1=CC=CC=C1OCC1=CSC(C)=N1)C1=NN=N[N-]1	REAL000000001494	0	49	-1.0	-52.12	424.07	6.01	-46.11
CCCC(NC(=O)C=CC1=CC=CC=C1OCC1=CSC(C)=N1)C1=N[N-]N=N1	REAL000000001494	1	49	-1.0	-52.13	424.01	6.01	-46.11
CCCC(NC(=O)C=CC1=CC=CC=C1OCC1=CSC(C)=N1)C1=NNN=N1	REAL000000001494	1	50	0.0	-14.93	427.44	6.02	-8.91
CCCC(NC(=O)CCC1=NC(C2=CC=C(OC)C=C2)=NO1)C1=NN=N[N-]1	REAL000000001495	0	47	-1.0	-46.00	400.72	3.10	-42.90
CCCC(NC(=O)CCC1=NC(C2=CC=C(OC)C=C2)=NO1)C1=N[N-]N=N1	REAL000000001495	1	47	-1.0	-45.99	400.66	3.09	-42.91
CCCC(NC(=O)CCC1=NC(C2=CC=C(OC)C=C2)=NO1)C1=NNN=N1	REAL000000001495	1	48	0.0	-11.35	396.87	2.77	-8.58
CCCC(NC(=O)CCC1=CC=C(OC)C(Cl)=C1)C1=NN=N[N-]1	REAL000000001496	0	42	-1.0	-45.21	365.91	4.99	-40.22
CCCC(NC(=O)CCC1=CC=C(OC)C(Cl)=C1)C1=N[N-]N=N1	REAL000000001496	1	42	-1.0	-45.21	365.85	4.98	-40.23
CCCC(NC(=O)CCC1=CC=C(OC)C(Cl)=C1)C1=NNN=N1	REAL000000001496	1	43	0.0	-12.62	369.29	5.00	-7.63
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2OC)C1)C1=NN=N[N-]1	REAL000000001497	0	47	-1.0	-49.06	390.95	4.27	-44.79
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2OC)C1)C1=N[N-]N=N1	REAL000000001497	1	47	-1.0	-49.06	390.89	4.27	-44.79
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2OC)C1)C1=NNN=N1	REAL000000001497	1	48	0.0	-19.67	394.23	4.30	-15.38
CCCC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)NC1=O)C1=NN=N[N-]1	REAL000000001498	0	53	-1.0	-57.53	423.60	4.49	-53.04
CCCC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)NC1=O)C1=N[N-]N=N1	REAL000000001498	1	53	-1.0	-57.52	423.54	4.49	-53.04
CCCC(NC(=O)C1=CC=C2C(=O)N(CC3CCCO3)C(=O)C2=C1)C1=NN=N[N-]1	REAL000000001499	0	50	-1.0	-50.29	418.70	4.22	-46.08
CCCC(NC(=O)C1=CC=C2C(=O)N(CC3CCCO3)C(=O)C2=C1)C1=N[N-]N=N1	REAL000000001499	1	50	-1.0	-50.29	418.64	4.21	-46.08
CCCC(NC(=O)C1=CC=C2C(=O)N(CC3CCCO3)C(=O)C2=C1)C1=NNN=N1	REAL000000001499	1	51	0.0	-14.65	414.90	3.89	-10.76
C=CCN1C(=O)C2=CC=C(C(=O)NC(CCC)C3=NN=N[N-]3)C=C2[N-]C1=S	REAL000000001500	0	44	-2.0	-89.20	389.76	5.48	-83.72
C=CCN1C(=O)C2=CC=C(C(=O)NC(CCC)C3=N[N-]N=N3)C=C2[N-]C1=S	REAL000000001500	1	44	-2.0	-89.21	389.70	5.47	-83.74
CCCC(NC(=O)C1=CC=C2C(=O)N(C)C(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL000000001501	0	40	-2.0	-89.24	355.20	4.01	-85.23
CCCC(NC(=O)C1=CC=C2C(=O)N(C)C(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL000000001501	1	40	-2.0	-89.23	355.14	4.01	-85.22
CCCC(NC(=O)CN1N=C2C=CC=CN2C1=O)C1=NN=N[N-]1	REAL000000001502	0	38	-1.0	-57.94	332.68	4.03	-53.91
CCCC(NC(=O)CN1N=C2C=CC=CN2C1=O)C1=N[N-]N=N1	REAL000000001502	1	38	-1.0	-57.94	332.62	4.03	-53.91
CCCC(NC(=O)CN1N=C2C=CC=CN2C1=O)C1=NNN=N1	REAL000000001502	1	39	0.0	-21.42	336.06	4.04	-17.38
CCCC(NC(=O)C1=CC=CC(CN2C(=O)CSC2=O)=C1)C1=NN=N[N-]1	REAL000000001503	0	43	-1.0	-54.86	379.91	4.43	-50.43
CCCC(NC(=O)C1=CC=CC(CN2C(=O)CSC2=O)=C1)C1=N[N-]N=N1	REAL000000001503	1	43	-1.0	-54.86	379.85	4.43	-50.43
CCCC(NC(=O)C1=CC=CC(CN2C(=O)CSC2=O)=C1)C1=NNN=N1	REAL000000001503	1	44	0.0	-17.40	383.33	4.44	-12.96
CCCC(NC(=O)C1CCN(C2=NN3N=NN=C3C=C2)CC1)C1=NN=N[N-]1	REAL000000001504	0	47	-1.0	-60.21	382.67	3.53	-56.68
CCCC(NC(=O)C1CCN(C2=NN3N=NN=C3C=C2)CC1)C1=N[N-]N=N1	REAL000000001504	1	47	-1.0	-60.21	382.61	3.53	-56.68
CCCC(NC(=O)C1CCN(C2=NN3N=NN=C3C=C2)CC1)C1=NNN=N1	REAL000000001504	1	48	0.0	-27.86	386.05	3.54	-24.33
CCCC(NC(=O)C1=NN2C(=N1)N=CC=C2C)C1=NN=N[N-]1	REAL000000001505	0	36	-1.0	-57.81	316.80	4.37	-53.45
CCCC(NC(=O)C1=NN2C(=N1)N=CC=C2C)C1=N[N-]N=N1	REAL000000001505	1	36	-1.0	-57.82	316.74	4.36	-53.46
CCCC(NC(=O)C1=NN2C(=N1)N=CC=C2C)C1=NNN=N1	REAL000000001505	1	37	0.0	-20.20	320.18	4.38	-15.82
CCCC(NC(=O)C1CSC2(C)CCC(=O)N12)C1=NN=N[N-]1	REAL000000001506	0	41	-1.0	-55.98	341.37	4.05	-51.92
CCCC(NC(=O)C1CSC2(C)CCC(=O)N12)C1=N[N-]N=N1	REAL000000001506	1	41	-1.0	-55.98	341.32	4.05	-51.92
CCCC(NC(=O)C1CSC2(C)CCC(=O)N12)C1=NNN=N1	REAL000000001506	1	42	0.0	-15.00	337.91	3.64	-11.35
CCCC(NC(=O)CN1C(=S)NN=C1C1=CC=CS1)C1=NN=N[N-]1	REAL000000001507	0	39	-1.0	-46.36	360.62	5.20	-41.16
CCCC(NC(=O)CN1C(=S)NN=C1C1=CC=CS1)C1=N[N-]N=N1	REAL000000001507	1	39	-1.0	-46.35	360.56	5.20	-41.16
CCCC(NC(=O)C1=NC(SC)=NC=C1Cl)C1=NN=N[N-]1	REAL000000001508	0	34	-1.0	-43.84	322.30	2.76	-41.08
CCCC(NC(=O)C1=NC(SC)=NC=C1Cl)C1=N[N-]N=N1	REAL000000001508	1	34	-1.0	-43.84	322.25	2.75	-41.09
CCCC(NC(=O)C1=NC(SC)=NC=C1Cl)C1=NNN=N1	REAL000000001508	1	35	0.0	-7.42	318.50	2.44	-4.98
CCCC(NC(=O)C1=CC=C(C2=NC(C)=NO2)C=C1)C1=NN=N[N-]1	REAL000000001509	0	40	-1.0	-45.80	346.71	2.99	-42.81
CCCC(NC(=O)C1=CC=C(C2=NC(C)=NO2)C=C1)C1=N[N-]N=N1	REAL000000001509	1	40	-1.0	-45.79	346.65	2.99	-42.80
CCCC(NC(=O)C1=CC=C(C2=NC(C)=NO2)C=C1)C1=NNN=N1	REAL000000001509	1	41	0.0	-12.75	350.08	3.00	-9.75
CCCC(NC(=O)C1=CC=C(NC(=O)C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000001510	0	46	-1.0	-50.80	386.04	5.69	-45.11
CCCC(NC(=O)C1=CC=C(NC(=O)C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000001510	1	46	-1.0	-50.80	385.98	5.68	-45.12
CCCC(NC(=O)C1=CC=C(NC(=O)C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000001510	1	47	0.0	-19.17	389.68	5.69	-13.48
CCCC(NC(=O)C1=CC2=CC(OC)=CC(OC)=C2N1)C1=NN=N[N-]1	REAL000000001511	0	44	-1.0	-47.15	367.12	2.18	-44.97
CCCC(NC(=O)C1=CC2=CC(OC)=CC(OC)=C2N1)C1=N[N-]N=N1	REAL000000001511	1	44	-1.0	-47.14	367.07	2.17	-44.97
CCCC(NC(=O)C1=CC2=CC(OC)=CC(OC)=C2N1)C1=NNN=N1	REAL000000001511	1	45	0.0	-9.99	363.31	1.86	-8.14
CCCC(NC(=O)CCC1=NN=C(C2=CSC=C2)O1)C1=NN=N[N-]1	REAL000000001512	0	40	-1.0	-46.44	362.04	-0.03	-46.47
CCCC(NC(=O)CCC1=NN=C(C2=CSC=C2)O1)C1=N[N-]N=N1	REAL000000001512	1	40	-1.0	-46.44	361.98	-0.03	-46.47
CCCC(NC(=O)CCC1=NN=C(C2=CSC=C2)O1)C1=NNN=N1	REAL000000001512	1	41	0.0	-14.39	365.41	-0.02	-14.41
CCCC(NC(=O)CSC1=NN=CN1C(C)C)C1=NN=N[N-]1	REAL000000001513	0	41	-1.0	-48.29	357.68	5.36	-42.93
CCCC(NC(=O)CSC1=NN=CN1C(C)C)C1=N[N-]N=N1	REAL000000001513	1	41	-1.0	-48.29	357.62	5.35	-42.95
CCCC(NC(=O)CSC1=NN=CN1C(C)C)C1=NNN=N1	REAL000000001513	1	42	0.0	-14.42	361.06	5.37	-9.05
CCCC(NC(=O)CSC1=NN=NN1C1CCCC1)C1=NN=N[N-]1	REAL000000001514	0	44	-1.0	-44.26	377.62	3.80	-40.46
CCCC(NC(=O)CSC1=NN=NN1C1CCCC1)C1=N[N-]N=N1	REAL000000001514	1	44	-1.0	-44.26	377.56	3.80	-40.46
CCCC(NC(=O)CSC1=NN=NN1C1CCCC1)C1=NNN=N1	REAL000000001514	1	45	0.0	-12.92	381.00	3.81	-9.10
CCCC(NC(=O)CSC1=NN=NN1C1CC1)C1=NN=N[N-]1	REAL000000001515	0	38	-1.0	-45.14	344.10	2.55	-42.59
CCCC(NC(=O)CSC1=NN=NN1C1CC1)C1=N[N-]N=N1	REAL000000001515	1	38	-1.0	-45.14	344.05	2.55	-42.59
CCCC(NC(=O)CSC1=NN=NN1C1CC1)C1=NNN=N1	REAL000000001515	1	39	0.0	-11.61	340.26	2.24	-9.37
CCCC(NC(=O)C1=C2C(C)=NOC2=NC(C2=CC=C(C)C=C2)=C1)C1=NN=N[N-]1	REAL000000001516	0	49	-1.0	-44.14	403.11	5.05	-39.09
CCCC(NC(=O)C1=C2C(C)=NOC2=NC(C2=CC=C(C)C=C2)=C1)C1=N[N-]N=N1	REAL000000001516	1	49	-1.0	-44.13	403.05	5.04	-39.09
CCCC(NC(=O)C1=C2C(C)=NOC2=NC(C2=CC=C(C)C=C2)=C1)C1=NNN=N1	REAL000000001516	1	50	0.0	-12.53	399.31	4.73	-7.80
CCCC(NC(=O)C1=CC=C(C(=O)OC)N=C1)C1=NN=N[N-]1	REAL000000001517	0	37	-1.0	-44.20	325.07	2.49	-41.71
CCCC(NC(=O)C1=CC=C(C(=O)OC)N=C1)C1=N[N-]N=N1	REAL000000001517	1	37	-1.0	-44.19	325.02	2.49	-41.70
CCCC(NC(=O)C1=CC=C(C(=O)OC)N=C1)C1=NNN=N1	REAL000000001517	1	38	0.0	-12.50	328.45	2.50	-10.00
CCCC(NC(=O)C1=CC(C2=CC=C(OC)C=C2)=C(C)S1)C1=NN=N[N-]1	REAL000000001518	0	46	-1.0	-48.83	394.93	6.26	-42.57
CCCC(NC(=O)C1=CC(C2=CC=C(OC)C=C2)=C(C)S1)C1=N[N-]N=N1	REAL000000001518	1	46	-1.0	-48.83	394.87	6.25	-42.58
CCCC(NC(=O)C1=CC(C2=CC=C(OC)C=C2)=C(C)S1)C1=NNN=N1	REAL000000001518	1	47	0.0	-12.31	398.30	6.27	-6.04
CCCC(NC(=O)CC1=C(C)N=C2C=CC=CC2=C1C)C1=NN=N[N-]1	REAL000000001519	0	46	-1.0	-50.45	370.92	5.56	-44.89
CCCC(NC(=O)CC1=C(C)N=C2C=CC=CC2=C1C)C1=N[N-]N=N1	REAL000000001519	1	46	-1.0	-50.46	370.87	5.55	-44.91
CCCC(NC(=O)CC1=C(C)N=C2C=CC=CC2=C1C)C1=NNN=N1	REAL000000001519	1	47	0.0	-16.66	374.30	5.57	-11.09
CCCC(NC(=O)C1=CC=C2N=C(CC)C(CC)=NC2=C1)C1=NN=N[N-]1	REAL000000001520	0	48	-1.0	-50.54	389.93	4.57	-45.97
CCCC(NC(=O)C1=CC=C2N=C(CC)C(CC)=NC2=C1)C1=N[N-]N=N1	REAL000000001520	1	48	-1.0	-50.53	389.87	4.57	-45.96
CCCC(NC(=O)C1=CC=C2N=C(CC)C(CC)=NC2=C1)C1=NNN=N1	REAL000000001520	1	49	0.0	-11.76	386.12	4.26	-7.50
CCCC(NC(=O)C1=CC(SC)=CC=C1C)C1=NN=N[N-]1	REAL000000001521	0	39	-1.0	-46.20	330.59	5.35	-40.86
CCCC(NC(=O)C1=CC(SC)=CC=C1C)C1=N[N-]N=N1	REAL000000001521	1	39	-1.0	-46.20	330.54	5.35	-40.85
CCCC(NC(=O)C1=CC(SC)=CC=C1C)C1=NNN=N1	REAL000000001521	1	40	0.0	-9.55	333.97	5.36	-4.20
CCCC(NC(=O)C1=C(Cl)C2=C(C)C=CC=C2S1)C1=NN=N[N-]1	REAL000000001522	0	38	-1.0	-47.59	340.69	6.01	-41.59
CCCC(NC(=O)C1=C(Cl)C2=C(C)C=CC=C2S1)C1=N[N-]N=N1	REAL000000001522	1	38	-1.0	-47.59	340.64	6.00	-41.59
CCCC(NC(=O)C1=C(Cl)C2=C(C)C=CC=C2S1)C1=NNN=N1	REAL000000001522	1	39	0.0	-11.11	344.06	6.01	-5.10
CCCC(NC(=O)C1C2CC3CC(C2)CC1C3)C1=NN=N[N-]1	REAL000000001523	0	46	-1.0	-45.71	334.57	5.49	-40.22
CCCC(NC(=O)C1C2CC3CC(C2)CC1C3)C1=N[N-]N=N1	REAL000000001523	1	46	-1.0	-45.70	334.52	5.48	-40.22
CCCC(NC(=O)C1C2CC3CC(C2)CC1C3)C1=NNN=N1	REAL000000001523	1	47	0.0	-9.34	337.96	5.50	-3.84
CCCC(NC(=O)CCCOC1=CC=CC=C1C)C1=NN=N[N-]1	REAL000000001524	0	45	-1.0	-48.88	370.42	5.49	-43.39
CCCC(NC(=O)CCCOC1=CC=CC=C1C)C1=N[N-]N=N1	REAL000000001524	1	45	-1.0	-48.88	370.37	5.48	-43.40
CCCC(NC(=O)CCCOC1=CC=CC=C1C)C1=NNN=N1	REAL000000001524	1	46	0.0	-13.71	373.80	5.50	-8.22
CCCC(NC(=O)CSCC1=CN2C=C(C)C=CC2=N1)C1=NN=N[N-]1	REAL000000001525	0	45	-1.0	-54.62	391.77	6.82	-47.80
CCCC(NC(=O)CSCC1=CN2C=C(C)C=CC2=N1)C1=N[N-]N=N1	REAL000000001525	1	45	-1.0	-54.62	391.71	6.81	-47.81
CCCC(NC(=O)CSCC1=CN2C=C(C)C=CC2=N1)C1=NNN=N1	REAL000000001525	1	46	0.0	-20.17	395.15	6.83	-13.34
CCCC(NC(=O)C1=NN(C2=NNC=N2)C(C)=N1)C1=NN=N[N-]1	REAL000000001526	0	37	-1.0	-58.50	326.44	4.98	-53.52
CCCC(NC(=O)C1=NN(C2=NNC=N2)C(C)=N1)C1=N[N-]N=N1	REAL000000001526	1	37	-1.0	-58.50	326.38	4.97	-53.53
CCCC(NC(=O)C1=NN(C2=NNC=N2)C(C)=N1)C1=NNN=N1	REAL000000001526	1	38	0.0	-21.24	329.81	4.99	-16.24
CCCC(NC(=O)C1=NN(C2=NC(C(F)(F)F)=NN2)C(C)=N1)C1=NN=N[N-]1	REAL000000001527	0	40	-1.0	-43.68	368.90	5.32	-38.36
CCCC(NC(=O)C1=NN(C2=NC(C(F)(F)F)=NN2)C(C)=N1)C1=N[N-]N=N1	REAL000000001527	1	40	-1.0	-43.68	368.85	5.32	-38.36
CCCC(NC(=O)C1=CC=C(N2C=NC=N2)N=C1)C1=NN=N[N-]1	REAL000000001528	0	37	-1.0	-45.56	324.75	5.51	-40.05
CCCC(NC(=O)C1=CC=C(N2C=NC=N2)N=C1)C1=N[N-]N=N1	REAL000000001528	1	37	-1.0	-45.55	324.69	5.50	-40.06
CCCC(NC(=O)C1=CC=C(N2C=NC=N2)N=C1)C1=NNN=N1	REAL000000001528	1	38	0.0	-13.69	328.12	5.51	-8.18
CCCC(NC(=O)C1=CN=C2ON=C(C)C2=C1)C1=NN=N[N-]1	REAL000000001529	0	36	-1.0	-43.61	312.79	1.08	-42.52
CCCC(NC(=O)C1=CN=C2ON=C(C)C2=C1)C1=N[N-]N=N1	REAL000000001529	1	36	-1.0	-43.61	312.73	1.08	-42.53
CCCC(NC(=O)C1=CN=C2ON=C(C)C2=C1)C1=NNN=N1	REAL000000001529	1	37	0.0	-12.99	316.16	1.09	-11.90
CCCC(NC(=O)CCCOC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000001530	0	42	-1.0	-48.16	356.76	4.79	-43.37
CCCC(NC(=O)CCCOC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000001530	1	42	-1.0	-48.15	356.70	4.80	-43.36
CCCC(NC(=O)CCCOC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000001530	1	43	0.0	-13.93	360.14	4.80	-9.13
CCCC(NC(=O)CN1C(=S)N=NC1C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000001531	0	42	-1.0	-43.67	393.58	4.78	-38.88
CCCC(NC(=O)CN1C(=S)N=NC1C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000001531	1	42	-1.0	-43.66	393.52	4.77	-38.89
CCCC(NC(=O)CN1C(=S)N=NC1C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000001531	1	43	0.0	-18.19	389.74	4.75	-13.44
CCCC(NC(=O)CN1C(=S)N=NC1C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000001532	0	45	-1.0	-45.76	391.05	4.90	-40.87
CCCC(NC(=O)CN1C(=S)N=NC1C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000001532	1	45	-1.0	-45.77	391.00	4.89	-40.88
CCCC(NC(=O)CN1C(=S)N=NC1C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000001532	1	46	0.0	-14.16	387.20	4.57	-9.58
CCCC(NC(=O)CN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=NN=N[N-]1	REAL000000001533	0	40	-2.0	-103.49	359.16	4.46	-99.02
CCCC(NC(=O)CN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=N[N-]N=N1	REAL000000001533	1	40	-2.0	-103.50	359.10	4.46	-99.03
CCCC(NC(=O)CN1C(=O)NC2(CCC(CC)CC2)C1=O)C1=NN=N[N-]1	REAL000000001534	0	53	-1.0	-52.10	418.33	3.65	-48.45
CCCC(NC(=O)CN1C(=O)NC2(CCC(CC)CC2)C1=O)C1=N[N-]N=N1	REAL000000001534	1	53	-1.0	-52.09	418.27	3.65	-48.44
CCCC(NC(=O)CN1C(=O)NC2(CCC(CC)CC2)C1=O)C1=NNN=N1	REAL000000001534	1	54	0.0	-15.45	421.71	3.66	-11.79
CCCC(NC(=O)C1=C2C(C)=NN(C)C2=NC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000001535	0	50	-1.0	-46.72	407.64	7.02	-39.70
CCCC(NC(=O)C1=C2C(C)=NN(C)C2=NC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000001535	1	50	-1.0	-46.71	407.59	7.01	-39.70
CCCC(NC(=O)C1=C2C(C)=NN(C)C2=NC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000001535	1	51	0.0	-11.16	403.82	6.69	-4.47
CCCC(NC(=O)C1=CC=C(COC2=CC=C(F)C=C2)O1)C1=NN=N[N-]1	REAL000000001536	0	43	-1.0	-47.65	376.78	5.15	-42.50
CCCC(NC(=O)C1=CC=C(COC2=CC=C(F)C=C2)O1)C1=N[N-]N=N1	REAL000000001536	1	43	-1.0	-47.65	376.72	5.15	-42.50
CCCC(NC(=O)C1=CC=C(COC2=CC=C(F)C=C2)O1)C1=NNN=N1	REAL000000001536	1	44	0.0	-10.00	372.97	4.83	-5.17
CCCC(NC(=O)COC1=CC=C2OC3=C(CCCC3)C2=C1)C1=NN=N[N-]1	REAL000000001537	0	49	-1.0	-52.58	398.84	7.23	-45.35
CCCC(NC(=O)COC1=CC=C2OC3=C(CCCC3)C2=C1)C1=N[N-]N=N1	REAL000000001537	1	49	-1.0	-52.58	398.78	7.23	-45.34
CCCC(NC(=O)COC1=CC=C2OC3=C(CCCC3)C2=C1)C1=NNN=N1	REAL000000001537	1	50	0.0	-17.86	402.21	7.25	-10.62
CCCC(NC(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C1=NN=N[N-]1	REAL000000001538	0	39	-1.0	-48.06	340.01	2.92	-45.14
CCCC(NC(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C1=N[N-]N=N1	REAL000000001538	1	39	-1.0	-48.06	339.95	2.91	-45.16
CCCC(NC(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C1=NNN=N1	REAL000000001538	1	40	0.0	-16.14	343.38	2.91	-13.23
CCCC(NC(=O)C1=CC=C(C(C)(C)C)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000001539	0	46	-1.0	-51.80	362.88	6.21	-45.58
CCCC(NC(=O)C1=CC=C(C(C)(C)C)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000001539	1	46	-1.0	-51.80	362.82	6.22	-45.58
CCCC(NC(=O)C1=CC=C(C(C)(C)C)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000001539	1	47	0.0	-13.45	359.05	5.90	-7.55
CCCC(NC(=O)C1=CC=C(N2C=CC=N2)N=C1)C1=NN=N[N-]1	REAL000000001540	0	38	-1.0	-46.59	329.94	4.14	-42.45
CCCC(NC(=O)C1=CC=C(N2C=CC=N2)N=C1)C1=N[N-]N=N1	REAL000000001540	1	38	-1.0	-46.59	329.88	4.14	-42.45
CCCC(NC(=O)C1=CC=C(N2C=CC=N2)N=C1)C1=NNN=N1	REAL000000001540	1	39	0.0	-13.46	333.31	4.14	-9.32
CCCC(NC(=O)CN(C)S(=O)(=O)C1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL000000001541	0	49	-1.0	-46.60	410.95	3.25	-43.35
CCCC(NC(=O)CN(C)S(=O)(=O)C1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL000000001541	1	49	-1.0	-46.59	410.89	3.25	-43.34
CCCC(NC(=O)CN(C)S(=O)(=O)C1=CC=C(C)C(C)=C1)C1=NNN=N1	REAL000000001541	1	50	0.0	-19.11	415.47	3.27	-15.84
CCCC(NC(=O)C1=CC=C(C(=O)OC)S1)C1=NN=N[N-]1	REAL000000001542	0	35	-1.0	-44.10	323.51	3.44	-40.66
CCCC(NC(=O)C1=CC=C(C(=O)OC)S1)C1=N[N-]N=N1	REAL000000001542	1	35	-1.0	-44.10	323.45	3.43	-40.67
CCCC(NC(=O)C1=CC=C(C(=O)OC)S1)C1=NNN=N1	REAL000000001542	1	36	0.0	-8.83	319.70	3.12	-5.72
CCCC(NC(=O)CCN1C=NC2=C(C=NN2C)C1=O)C1=NN=N[N-]1	REAL000000001543	0	43	-1.0	-56.95	368.90	4.03	-52.93
CCCC(NC(=O)CCN1C=NC2=C(C=NN2C)C1=O)C1=N[N-]N=N1	REAL000000001543	1	43	-1.0	-56.95	368.84	4.02	-52.93
CCCC(NC(=O)CCN1C=NC2=C(C=NN2C)C1=O)C1=NNN=N1	REAL000000001543	1	44	0.0	-19.01	372.27	4.04	-14.97
CCCC(NC(=O)C1=C(C)N2N=C(C)C=C2N=C1)C1=NN=N[N-]1	REAL000000001544	0	40	-1.0	-43.89	341.47	3.51	-40.38
CCCC(NC(=O)C1=C(C)N2N=C(C)C=C2N=C1)C1=N[N-]N=N1	REAL000000001544	1	40	-1.0	-43.87	341.42	3.52	-40.36
CCCC(NC(=O)C1=C(C)N2N=C(C)C=C2N=C1)C1=NNN=N1	REAL000000001544	1	41	0.0	-10.32	330.76	3.48	-6.85
CCCC(NC(=O)C1=CN=C2C(=C1)C(=O)N(C)C(=O)N2C)C1=NN=N[N-]1	REAL000000001545	0	43	-1.0	-47.01	362.60	3.26	-43.75
CCCC(NC(=O)C1=CN=C2C(=C1)C(=O)N(C)C(=O)N2C)C1=N[N-]N=N1	REAL000000001545	1	43	-1.0	-47.00	362.54	3.26	-43.74
CCCC(NC(=O)C1=CN=C2C(=C1)C(=O)N(C)C(=O)N2C)C1=NNN=N1	REAL000000001545	1	44	0.0	-11.81	359.12	2.94	-8.87
CCCC(NC(=O)CCCNC(=O)NC1CCCCC1)C1=NN=N[N-]1	REAL000000001546	0	53	-1.0	-49.17	419.86	2.68	-46.49
CCCC(NC(=O)CCCNC(=O)NC1CCCCC1)C1=N[N-]N=N1	REAL000000001546	1	53	-1.0	-49.17	419.81	2.68	-46.48
CCCC(NC(=O)CCCNC(=O)NC1CCCCC1)C1=NNN=N1	REAL000000001546	1	54	0.0	-12.95	416.05	2.37	-10.58
CCCC(NC(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C1=NN=N[N-]1	REAL000000001547	0	38	-1.0	-50.98	330.86	0.66	-50.32
CCCC(NC(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C1=N[N-]N=N1	REAL000000001547	1	38	-1.0	-50.98	330.80	0.66	-50.32
CCCC(NC(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C1=NNN=N1	REAL000000001547	1	39	0.0	-19.75	334.23	0.67	-19.08
CCCC(NC(=O)C1=CC(F)=C(F)C(F)=C1F)C1=NN=N[N-]1	REAL000000001548	0	32	-1.0	-43.46	297.75	3.93	-39.52
CCCC(NC(=O)C1=CC(F)=C(F)C(F)=C1F)C1=N[N-]N=N1	REAL000000001548	1	32	-1.0	-43.45	297.69	3.92	-39.53
CCCC(NC(=O)C1=CC(F)=C(F)C(F)=C1F)C1=NNN=N1	REAL000000001548	1	33	0.0	-12.25	301.12	3.94	-8.31
CCCC(NC(=O)C1=CSC2=C1CCC(C)C2)C1=NN=N[N-]1	REAL000000001549	0	42	-1.0	-47.33	346.13	5.82	-41.51
CCCC(NC(=O)C1=CSC2=C1CCC(C)C2)C1=N[N-]N=N1	REAL000000001549	1	42	-1.0	-47.33	346.07	5.83	-41.50
CCCC(NC(=O)C1=CSC2=C1CCC(C)C2)C1=NNN=N1	REAL000000001549	1	43	0.0	-10.27	349.49	5.83	-4.44
CCCCC1CCC(C(=O)NC(CCC)C2=NN=N[N-]2)CC1	REAL000000001550	0	50	-1.0	-45.26	375.67	6.57	-38.68
CCCCC1CCC(C(=O)NC(CCC)C2=N[N-]N=N2)CC1	REAL000000001550	1	50	-1.0	-45.27	375.63	6.57	-38.70
CCCCC1CCC(C(=O)NC(CCC)C2=NNN=N2)CC1	REAL000000001550	1	51	0.0	-9.28	379.05	6.58	-2.70
CCCC(NC(=O)CC1(CC(=O)N2CCOCC2)CCCC1)C1=NN=N[N-]1	REAL000000001551	0	56	-1.0	-45.28	419.02	4.18	-41.10
CCCC(NC(=O)CC1(CC(=O)N2CCOCC2)CCCC1)C1=N[N-]N=N1	REAL000000001551	1	56	-1.0	-45.28	418.97	4.19	-41.10
CCCC(NC(=O)CC1(CC(=O)N2CCOCC2)CCCC1)C1=NNN=N1	REAL000000001551	1	57	0.0	-8.43	416.53	3.96	-4.47
CCCC(NC(=O)C1=CC=C(CN2C=CC=CC2=O)O1)C1=NN=N[N-]1	REAL000000001552	0	42	-1.0	-60.87	365.69	4.57	-56.30
CCCC(NC(=O)C1=CC=C(CN2C=CC=CC2=O)O1)C1=N[N-]N=N1	REAL000000001552	1	42	-1.0	-60.88	365.63	4.57	-56.31
CCCC(NC(=O)C1=CC=C(CN2C=CC=CC2=O)O1)C1=NNN=N1	REAL000000001552	1	43	0.0	-21.74	369.07	4.58	-17.17
CCCC(NC(=O)CC1=CSC(NC(=O)C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL000000001553	0	45	-1.0	-54.22	394.47	4.58	-49.65
CCCC(NC(=O)CC1=CSC(NC(=O)C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL000000001553	1	45	-1.0	-54.22	394.41	4.57	-49.65
CCCC(NC(=O)CC1=CSC(NC(=O)C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000001553	1	46	0.0	-14.79	390.65	4.26	-10.53
CCCC(NC(=O)C1=CC=C(NC2=CC=CC=C2)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000001554	0	46	-1.0	-50.90	392.69	6.79	-44.11
CCCC(NC(=O)C1=CC=C(NC2=CC=CC=C2)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000001554	1	46	-1.0	-50.90	392.63	6.79	-44.11
CCCC(NC(=O)C1=CC=C(NC2=CC=CC=C2)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000001554	1	47	0.0	-18.41	396.57	6.87	-11.54
CCCC(NC(=O)CCN1C(=S)NN=C1C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000001555	0	48	-1.0	-44.99	409.27	7.25	-37.74
CCCC(NC(=O)CCN1C(=S)NN=C1C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000001555	1	48	-1.0	-44.98	409.21	7.25	-37.73
CCCC(NC(=O)C1=CC=C2C(=O)N(CC)C(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL000000001556	0	43	-2.0	-89.74	376.50	4.92	-84.82
CCCC(NC(=O)C1=CC=C2C(=O)N(CC)C(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL000000001556	1	43	-2.0	-89.75	376.44	4.91	-84.84
CCCC(NC(=O)C(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C1=NN=N[N-]1	REAL000000001557	0	47	-1.0	-47.96	400.15	5.70	-42.27
CCCC(NC(=O)C(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C1=N[N-]N=N1	REAL000000001557	1	47	-1.0	-47.96	400.09	5.69	-42.28
CCCC(NC(=O)C(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C1=NNN=N1	REAL000000001557	1	48	0.0	-14.06	403.52	5.71	-8.36
CCCC(NC(=O)CC1=C2N=CC=CC2=CC=C1)C1=NN=N[N-]1	REAL000000001558	0	40	-1.0	-50.50	339.00	4.83	-45.68
CCCC(NC(=O)CC1=C2N=CC=CC2=CC=C1)C1=N[N-]N=N1	REAL000000001558	1	40	-1.0	-50.50	338.94	4.82	-45.68
CCCC(NC(=O)CC1=C2N=CC=CC2=CC=C1)C1=NNN=N1	REAL000000001558	1	41	0.0	-12.21	335.21	4.51	-7.70
CCCC(NC(=O)COC1=CC=C2NC(=O)CCC2=C1)C1=NN=N[N-]1	REAL000000001559	0	44	-1.0	-51.40	367.74	3.40	-48.00
CCCC(NC(=O)COC1=CC=C2NC(=O)CCC2=C1)C1=N[N-]N=N1	REAL000000001559	1	44	-1.0	-51.39	367.68	3.39	-48.01
CCCC(NC(=O)COC1=CC=C2NC(=O)CCC2=C1)C1=NNN=N1	REAL000000001559	1	45	0.0	-18.19	371.11	3.40	-14.79
CCCC(NC(=O)C1=C(C)N(C2=CC=C(C(C)C)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000001560	0	55	-1.0	-48.65	439.50	9.47	-39.18
CCCC(NC(=O)C1=C(C)N(C2=CC=C(C(C)C)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000001560	1	55	-1.0	-48.65	439.44	9.47	-39.18
CCCC(NC(=O)C1=C(C)N(C2=CC=C(C(C)C)C=C2)C(C)=C1)C1=NNN=N1	REAL000000001560	1	56	0.0	-10.97	444.52	9.53	-1.44
CCCC(NC(=O)C(C)NC(=O)C1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000001561	0	54	-1.0	-46.20	428.99	5.33	-40.87
CCCC(NC(=O)C(C)NC(=O)C1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000001561	1	54	-1.0	-46.20	428.94	5.32	-40.88
CCCC(NC(=O)C(C)NC(=O)C1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000001561	1	55	0.0	-11.25	432.37	5.34	-5.92
CCCC(NC(=O)C1OC2=CC=CC=C2OC1C)C1=NN=N[N-]1	REAL000000001562	0	41	-1.0	-48.99	333.17	4.79	-44.20
CCCC(NC(=O)C1OC2=CC=CC=C2OC1C)C1=N[N-]N=N1	REAL000000001562	1	41	-1.0	-48.99	333.11	4.79	-44.20
CCCC(NC(=O)C1OC2=CC=CC=C2OC1C)C1=NNN=N1	REAL000000001562	1	42	0.0	-14.12	336.55	4.80	-9.32
CCCC(NC(=O)CCN1C(=O)C2=CC=CC=C2S1(=O)=O)C1=NN=N[N-]1	REAL000000001573	0	43	-1.0	-55.11	381.95	1.00	-54.11
CCCC(NC(=O)CCN1C(=O)C2=CC=CC=C2S1(=O)=O)C1=N[N-]N=N1	REAL000000001573	1	43	-1.0	-55.11	381.90	1.00	-54.11
CCCC(NC(=O)CCN1C(=O)C2=CC=CC=C2S1(=O)=O)C1=NNN=N1	REAL000000001573	1	44	0.0	-18.40	385.34	1.01	-17.39
CCCC(NC(=O)C1=C2C=NN(CC3=CC=CS3)C2=NC(C)=C1)C1=NN=N[N-]1	REAL000000001574	0	47	-1.0	-48.27	409.89	6.31	-41.96
CCCC(NC(=O)C1=C2C=NN(CC3=CC=CS3)C2=NC(C)=C1)C1=N[N-]N=N1	REAL000000001574	1	47	-1.0	-48.27	409.84	6.31	-41.96
CCCC(NC(=O)C1=C2C=NN(CC3=CC=CS3)C2=NC(C)=C1)C1=NNN=N1	REAL000000001574	1	48	0.0	-11.42	406.10	5.98	-5.43
CCCC(NC(=O)C=CC1=CC=C(C2=CC=C(Cl)C=C2)S1)C1=NN=N[N-]1	REAL000000001575	0	43	-1.0	-46.44	393.85	8.13	-38.31
CCCC(NC(=O)C=CC1=CC=C(C2=CC=C(Cl)C=C2)S1)C1=N[N-]N=N1	REAL000000001575	1	43	-1.0	-46.44	393.80	8.13	-38.31
CCCC(NC(=O)C=CC1=CC=C(C2=CC=C(Cl)C=C2)S1)C1=NNN=N1	REAL000000001575	1	44	0.0	-10.86	397.23	8.14	-2.72
CCCC(NC(=O)C1=CSC(COC2=CC=C(F)C=C2)=N1)C1=NN=N[N-]1	REAL000000001576	0	42	-1.0	-47.67	379.82	4.02	-43.65
CCCC(NC(=O)C1=CSC(COC2=CC=C(F)C=C2)=N1)C1=N[N-]N=N1	REAL000000001576	1	42	-1.0	-47.67	379.76	4.02	-43.65
CCCC(NC(=O)C1=CSC(COC2=CC=C(F)C=C2)=N1)C1=NNN=N1	REAL000000001576	1	43	0.0	-12.25	383.20	4.03	-8.22
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C(N)=O)C1)C1=NN=N[N-]1	REAL000000001577	0	45	-1.0	-52.80	380.54	0.86	-51.94
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C(N)=O)C1)C1=N[N-]N=N1	REAL000000001577	1	45	-1.0	-52.79	380.49	0.85	-51.94
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C(N)=O)C1)C1=NNN=N1	REAL000000001577	1	46	0.0	-16.78	383.62	0.86	-15.92
CCCC(NC(=O)C1=CC=C(C)C(NS(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000001578	0	43	-1.0	-59.18	365.41	1.15	-58.03
CCCC(NC(=O)C1=CC=C(C)C(NS(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000001578	1	43	-1.0	-59.18	365.35	1.15	-58.03
CCCC(NC(=O)C1=CC=C(C)C(NS(C)(=O)=O)=C1)C1=NNN=N1	REAL000000001578	1	44	0.0	-21.39	368.78	1.16	-20.23
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C(C)C)=CC=C1F)C1=NN=N[N-]1	REAL000000001579	0	49	-1.0	-49.93	412.01	3.17	-46.76
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C(C)C)=CC=C1F)C1=N[N-]N=N1	REAL000000001579	1	49	-1.0	-49.93	411.95	3.17	-46.76
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C(C)C)=CC=C1F)C1=NNN=N1	REAL000000001579	1	50	0.0	-16.46	416.21	3.15	-13.31
CCCC(NC(=O)COC1=CC=C(OC2=CC=CC=N2)C=C1)C1=NN=N[N-]1	REAL000000001580	0	46	-1.0	-52.29	394.53	4.55	-47.74
CCCC(NC(=O)COC1=CC=C(OC2=CC=CC=N2)C=C1)C1=N[N-]N=N1	REAL000000001580	1	46	-1.0	-52.29	394.48	4.56	-47.73
CCCC(NC(=O)COC1=CC=C(OC2=CC=CC=N2)C=C1)C1=NNN=N1	REAL000000001580	1	47	0.0	-17.75	397.91	4.56	-13.19
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(C)=C2)N=C1)C1=NN=N[N-]1	REAL000000001581	0	45	-1.0	-47.57	371.65	5.88	-41.69
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(C)=C2)N=C1)C1=N[N-]N=N1	REAL000000001581	1	45	-1.0	-47.57	371.60	5.88	-41.69
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(C)=C2)N=C1)C1=NNN=N1	REAL000000001581	1	46	0.0	-12.87	375.02	5.89	-6.98
CCCC(NC(=O)CC1=C(C)N(C2=NC(C)=CC(C)=N2)N=C1C)C1=NN=N[N-]1	REAL000000001582	0	52	-1.0	-59.40	428.60	7.93	-51.46
CCCC(NC(=O)CC1=C(C)N(C2=NC(C)=CC(C)=N2)N=C1C)C1=N[N-]N=N1	REAL000000001582	1	52	-1.0	-59.40	428.54	7.93	-51.47
CCCC(NC(=O)CC1=C(C)N(C2=NC(C)=CC(C)=N2)N=C1C)C1=NNN=N1	REAL000000001582	1	53	0.0	-23.57	431.98	7.94	-15.63
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C1=NN=N[N-]1	REAL000000001583	0	41	-1.0	-50.62	347.25	4.92	-45.70
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C1=N[N-]N=N1	REAL000000001583	1	41	-1.0	-50.62	347.19	4.92	-45.70
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C1=NNN=N1	REAL000000001583	1	42	0.0	-14.86	349.72	5.00	-9.86
CCCC(NC(=O)C1=CN(C2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL000000001584	0	38	-1.0	-46.42	331.64	3.34	-43.08
CCCC(NC(=O)C1=CN(C2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL000000001584	1	38	-1.0	-46.42	331.59	3.33	-43.09
CCCC(NC(=O)C1=CN(C2=CC=CC=C2)N=N1)C1=NNN=N1	REAL000000001584	1	39	0.0	-11.66	335.02	3.35	-8.31
CCCC(NC(=O)C1=CC=CC(NS(=O)(=O)CC)=C1)C1=NN=N[N-]1	REAL000000001585	0	43	-1.0	-61.52	373.07	1.16	-60.36
CCCC(NC(=O)C1=CC=CC(NS(=O)(=O)CC)=C1)C1=N[N-]N=N1	REAL000000001585	1	43	-1.0	-61.51	373.01	1.16	-60.35
CCCC(NC(=O)C1=CC=CC(NS(=O)(=O)CC)=C1)C1=NNN=N1	REAL000000001585	1	44	0.0	-23.34	376.45	1.17	-22.17
CCCC(NC(=O)C1=CSC(C2=CC=C(C(C)C)C=C2)=N1)C1=NN=N[N-]1	REAL000000001586	0	47	-1.0	-46.90	401.77	6.38	-40.52
CCCC(NC(=O)C1=CSC(C2=CC=C(C(C)C)C=C2)=N1)C1=N[N-]N=N1	REAL000000001586	1	47	-1.0	-46.90	401.71	6.37	-40.53
CCCC(NC(=O)C1=CSC(C2=CC=C(C(C)C)C=C2)=N1)C1=NNN=N1	REAL000000001586	1	48	0.0	-9.78	405.15	6.39	-3.39
CCCC(NC(=O)C1=C(C)N(C2=CC=C(C)C=C2)N=C1)C1=NN=N[N-]1	REAL000000001587	0	45	-1.0	-47.75	373.31	5.91	-41.84
CCCC(NC(=O)C1=C(C)N(C2=CC=C(C)C=C2)N=C1)C1=N[N-]N=N1	REAL000000001587	1	45	-1.0	-47.75	373.25	5.91	-41.84
CCCC(NC(=O)C1=C(C)N(C2=CC=C(C)C=C2)N=C1)C1=NNN=N1	REAL000000001587	1	46	0.0	-12.37	376.69	5.92	-6.45
CCCC(NC(=O)C1=CC=CC(NS(=O)(=O)CCC)=C1)C1=NN=N[N-]1	REAL000000001588	0	46	-1.0	-61.39	394.57	1.97	-59.42
CCCC(NC(=O)C1=CC=CC(NS(=O)(=O)CCC)=C1)C1=N[N-]N=N1	REAL000000001588	1	46	-1.0	-61.39	394.51	1.96	-59.43
CCCC(NC(=O)C1=CC=CC(NS(=O)(=O)CCC)=C1)C1=NNN=N1	REAL000000001588	1	47	0.0	-18.89	390.75	1.64	-17.25
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(C(F)(F)F)=C2)N=C1)C1=NN=N[N-]1	REAL000000001589	0	45	-1.0	-47.03	388.97	6.21	-40.82
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(C(F)(F)F)=C2)N=C1)C1=N[N-]N=N1	REAL000000001589	1	45	-1.0	-47.03	388.92	6.20	-40.83
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(C(F)(F)F)=C2)N=C1)C1=NNN=N1	REAL000000001589	1	46	0.0	-13.92	392.34	6.22	-7.70
CCCC(NC(=O)CSCC(=O)N1CCCCC1)C1=NN=N[N-]1	REAL000000001590	0	46	-1.0	-56.63	380.64	4.29	-52.33
CCCC(NC(=O)CSCC(=O)N1CCCCC1)C1=N[N-]N=N1	REAL000000001590	1	46	-1.0	-56.62	380.58	4.28	-52.34
CCCC(NC(=O)CSCC(=O)N1CCCCC1)C1=NNN=N1	REAL000000001590	1	47	0.0	-21.22	384.02	4.29	-16.93
CCCC(NC(=O)CCC1=NC(C2=CC=CO2)=NO1)C1=NN=N[N-]1	REAL000000001591	0	40	-1.0	-47.28	352.76	1.79	-45.49
CCCC(NC(=O)CCC1=NC(C2=CC=CO2)=NO1)C1=N[N-]N=N1	REAL000000001591	1	40	-1.0	-47.27	352.70	1.79	-45.48
CCCC(NC(=O)CCC1=NC(C2=CC=CO2)=NO1)C1=NNN=N1	REAL000000001591	1	41	0.0	-15.28	356.13	1.80	-13.48
CCCC(NC(=O)CN1N=NC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL000000001592	0	40	-1.0	-53.19	350.66	3.32	-49.87
CCCC(NC(=O)CN1N=NC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL000000001592	1	40	-1.0	-53.19	350.61	3.32	-49.87
CCCC(NC(=O)CN1N=NC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000001592	1	41	0.0	-15.82	346.88	3.00	-12.82
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC=C2F)S1)C1=NN=N[N-]1	REAL000000001593	0	43	-1.0	-47.52	386.51	7.79	-39.73
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC=C2F)S1)C1=N[N-]N=N1	REAL000000001593	1	43	-1.0	-47.52	386.46	7.79	-39.73
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC=C2F)S1)C1=NNN=N1	REAL000000001593	1	44	0.0	-12.07	389.89	7.80	-4.26
CCCC(NC(=O)CSC1=CC=CC=[N+]1[O-])C1=NN=N[N-]1	REAL000000001594	0	36	-1.0	-70.39	323.46	3.30	-67.10
CCCC(NC(=O)CSC1=CC=CC=[N+]1[O-])C1=N[N-]N=N1	REAL000000001594	1	36	-1.0	-70.39	323.40	3.30	-67.09
CCCC(NC(=O)CSC1=CC=CC=[N+]1[O-])C1=NNN=N1	REAL000000001594	1	37	0.0	-30.30	319.65	2.98	-27.32
CCCC(NC(=O)C1CC(=O)N(CCOC)C1)C1=NN=N[N-]1	REAL000000001595	0	43	-1.0	-46.04	356.75	1.34	-44.71
CCCC(NC(=O)C1CC(=O)N(CCOC)C1)C1=N[N-]N=N1	REAL000000001595	1	43	-1.0	-46.04	356.69	1.33	-44.71
CCCC(NC(=O)C1CC(=O)N(CCOC)C1)C1=NNN=N1	REAL000000001595	1	44	0.0	-12.22	352.90	0.99	-11.23
CCCC(NC(=O)CN1C(=S)NN=C1C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000001596	0	46	-1.0	-59.17	397.42	5.33	-53.84
CCCC(NC(=O)CN1C(=S)NN=C1C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000001596	1	46	-1.0	-59.16	397.37	5.32	-53.83
CCCC(NC(=O)CN1C(=S)NN=C1C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL000000001597	0	45	-1.0	-58.79	389.06	6.69	-52.10
CCCC(NC(=O)CN1C(=S)NN=C1C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL000000001597	1	45	-1.0	-58.78	389.00	6.68	-52.10
CCCC(NC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O)C1=NN=N[N-]1	REAL000000001598	0	40	-1.0	-61.29	360.91	0.48	-60.81
CCCC(NC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O)C1=N[N-]N=N1	REAL000000001598	1	40	-1.0	-61.28	360.86	0.48	-60.80
CCCC(NC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O)C1=NNN=N1	REAL000000001598	1	41	0.0	-22.26	364.30	0.49	-21.76
CCCC(NC(=O)CN1N=NC(C2=CC=C(Cl)C=C2)=N1)C1=NN=N[N-]1	REAL000000001599	0	40	-1.0	-51.44	367.39	3.84	-47.60
CCCC(NC(=O)CN1N=NC(C2=CC=C(Cl)C=C2)=N1)C1=N[N-]N=N1	REAL000000001599	1	40	-1.0	-51.44	367.33	3.83	-47.60
CCCC(NC(=O)CN1N=NC(C2=CC=C(Cl)C=C2)=N1)C1=NNN=N1	REAL000000001599	1	41	0.0	-17.77	370.77	3.85	-13.92
CCCC(NC(=O)COC1CC(C)CCC1C(C)C)C1=NN=N[N-]1	REAL000000001600	0	54	-1.0	-48.66	408.03	6.65	-42.02
CCCC(NC(=O)COC1CC(C)CCC1C(C)C)C1=N[N-]N=N1	REAL000000001600	1	54	-1.0	-48.66	407.97	6.64	-42.02
CCCC(NC(=O)COC1CC(C)CCC1C(C)C)C1=NNN=N1	REAL000000001600	1	55	0.0	-12.38	411.42	6.65	-5.72
CCCC(NC(=O)CSCC(=O)N(C)C1CCCCC1)C1=NN=N[N-]1	REAL000000001601	0	52	-1.0	-57.45	418.83	5.63	-51.82
CCCC(NC(=O)CSCC(=O)N(C)C1CCCCC1)C1=N[N-]N=N1	REAL000000001601	1	52	-1.0	-57.44	418.78	5.62	-51.82
CCCC(NC(=O)CSCC(=O)N(C)C1CCCCC1)C1=NNN=N1	REAL000000001601	1	53	0.0	-18.01	415.03	5.31	-12.70
CCCC(NC(=O)C1=CC=C(C(=O)OC)C=N1)C1=NN=N[N-]1	REAL000000001602	0	37	-1.0	-44.75	326.52	2.58	-42.17
CCCC(NC(=O)C1=CC=C(C(=O)OC)C=N1)C1=N[N-]N=N1	REAL000000001602	1	37	-1.0	-44.74	326.47	2.57	-42.17
CCCC(NC(=O)C1=CC=C(C(=O)OC)C=N1)C1=NNN=N1	REAL000000001602	1	38	0.0	-10.68	329.90	2.59	-8.09
CCCC(NC(=O)C1CCN(C(=O)C(C)C)CC1)C1=NN=N[N-]1	REAL000000001603	0	48	-1.0	-51.77	375.23	4.05	-47.72
CCCC(NC(=O)C1CCN(C(=O)C(C)C)CC1)C1=N[N-]N=N1	REAL000000001603	1	48	-1.0	-51.77	375.17	4.06	-47.71
CCCC(NC(=O)C1CCN(C(=O)C(C)C)CC1)C1=NNN=N1	REAL000000001603	1	49	0.0	-18.10	378.61	4.06	-14.04
CCCC(NC(=O)C1=CC2=C(NC(=O)C=C2C(F)(F)F)O1)C1=NN=N[N-]1	REAL000000001604	0	38	-1.0	-42.31	349.04	1.28	-41.03
CCCC(NC(=O)C1=CC2=C(NC(=O)C=C2C(F)(F)F)O1)C1=N[N-]N=N1	REAL000000001604	1	38	-1.0	-42.31	348.98	1.27	-41.04
CCCC(NC(=O)C1=CC2=C(NC(=O)C=C2C(F)(F)F)O1)C1=NNN=N1	REAL000000001604	1	39	0.0	-10.68	352.42	1.29	-9.39
CCCC(NC(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C1CC1)C1=NN=N[N-]1	REAL000000001605	0	44	-1.0	-47.15	373.31	2.86	-44.29
CCCC(NC(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C1CC1)C1=N[N-]N=N1	REAL000000001605	1	44	-1.0	-47.15	373.25	2.85	-44.30
CCCC(NC(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C1CC1)C1=NNN=N1	REAL000000001605	1	45	0.0	-15.76	376.64	2.87	-12.89
CCCC(NC(=O)CCC1=C(C)N(CCC#N)N=C1C)C1=NN=N[N-]1	REAL000000001606	0	48	-1.0	-48.85	404.93	5.30	-43.55
CCCC(NC(=O)CCC1=C(C)N(CCC#N)N=C1C)C1=N[N-]N=N1	REAL000000001606	1	48	-1.0	-48.85	404.87	5.29	-43.56
CCCC(NC(=O)CCC1=C(C)N(CCC#N)N=C1C)C1=NNN=N1	REAL000000001606	1	49	0.0	-16.77	408.32	5.30	-11.47
CCCC(NC(=O)CN1C=CC=C(C(F)(F)F)C1=O)C1=NN=N[N-]1	REAL000000001607	0	38	-1.0	-65.75	340.94	3.96	-61.79
CCCC(NC(=O)CN1C=CC=C(C(F)(F)F)C1=O)C1=N[N-]N=N1	REAL000000001607	1	38	-1.0	-65.75	340.88	3.96	-61.79
CCCC(NC(=O)CN1C=CC=C(C(F)(F)F)C1=O)C1=NNN=N1	REAL000000001607	1	39	0.0	-26.46	344.31	3.97	-22.49
CCCC(NC(=O)CC1=C(C)OC(C2=CC=CS2)=N1)C1=NN=N[N-]1	REAL000000001608	0	41	-1.0	-50.76	367.80	2.45	-48.31
CCCC(NC(=O)CC1=C(C)OC(C2=CC=CS2)=N1)C1=N[N-]N=N1	REAL000000001608	1	41	-1.0	-50.76	367.74	2.44	-48.32
CCCC(NC(=O)CC1=C(C)OC(C2=CC=CS2)=N1)C1=NNN=N1	REAL000000001608	1	42	0.0	-18.54	369.71	2.41	-16.13
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000001609	0	36	-1.0	-41.46	330.75	4.99	-36.47
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000001609	1	36	-1.0	-41.46	330.69	4.98	-36.48
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000001609	1	37	0.0	-12.16	334.12	5.00	-7.16
CCCC(NC(=O)COC1=CC=C(C(C)(C)C)C=C1C(C)(C)C)C1=NN=N[N-]1	REAL000000001610	0	60	-1.0	-47.86	455.24	9.09	-38.77
CCCC(NC(=O)COC1=CC=C(C(C)(C)C)C=C1C(C)(C)C)C1=N[N-]N=N1	REAL000000001610	1	60	-1.0	-47.87	455.18	9.08	-38.79
CCCC(NC(=O)COC1=CC=C(C(C)(C)C)C=C1C(C)(C)C)C1=NNN=N1	REAL000000001610	1	61	0.0	-12.24	458.61	9.10	-3.14
CCCC(NC(=O)C(C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000001611	0	45	-1.0	-42.90	362.92	1.36	-41.54
CCCC(NC(=O)C(C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000001611	1	45	-1.0	-42.90	362.86	1.35	-41.55
CCCC(NC(=O)C(C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000001611	1	46	0.0	-8.34	359.12	1.03	-7.30
CCCC(NC(=O)C(=O)NC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000001612	0	36	-1.0	-39.90	328.26	2.42	-37.48
CCCC(NC(=O)C(=O)NC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000001612	1	36	-1.0	-39.89	328.20	2.43	-37.47
CCCC(NC(=O)C(=O)NC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000001612	1	37	0.0	-7.47	324.46	2.11	-5.35
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(F)C=C2F)C1)C1=NN=N[N-]1	REAL000000001613	0	43	-1.0	-45.83	374.36	5.03	-40.80
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(F)C=C2F)C1)C1=N[N-]N=N1	REAL000000001613	1	43	-1.0	-45.83	374.30	5.02	-40.80
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(F)C=C2F)C1)C1=NNN=N1	REAL000000001613	1	44	0.0	-12.67	370.55	4.71	-7.96
CCCC(NC(=O)C1=C(C)SC(C2=CC=CO2)=N1)C1=NN=N[N-]1	REAL000000001614	0	38	-1.0	-49.49	342.23	3.31	-46.18
CCCC(NC(=O)C1=C(C)SC(C2=CC=CO2)=N1)C1=N[N-]N=N1	REAL000000001614	1	38	-1.0	-49.50	342.17	3.31	-46.19
CCCC(NC(=O)C1=C(C)SC(C2=CC=CO2)=N1)C1=NNN=N1	REAL000000001614	1	39	0.0	-11.92	345.60	3.32	-8.61
CCCC(NC(=O)C1=NOC(C2=CC=CS2)=C1)C1=NN=N[N-]1	REAL000000001615	0	35	-1.0	-44.72	325.02	3.81	-40.91
CCCC(NC(=O)C1=NOC(C2=CC=CS2)=C1)C1=N[N-]N=N1	REAL000000001615	1	35	-1.0	-44.72	324.96	3.80	-40.92
CCCC(NC(=O)C1=NOC(C2=CC=CS2)=C1)C1=NNN=N1	REAL000000001615	1	36	0.0	-9.41	328.39	3.82	-5.59
CCCC(NC(=O)CSC1=NN=CN1C1=CC=CC=C1CC)C1=NN=N[N-]1	REAL000000001616	0	48	-1.0	-48.24	412.55	8.48	-39.76
CCCC(NC(=O)CSC1=NN=CN1C1=CC=CC=C1CC)C1=N[N-]N=N1	REAL000000001616	1	48	-1.0	-48.23	412.49	8.48	-39.76
CCCC(NC(=O)CSC1=NN=CN1C1=CC=CC=C1CC)C1=NNN=N1	REAL000000001616	1	49	0.0	-14.20	415.91	8.48	-5.72
CCCC(NC(=O)CSCC1=CC(=O)N2C=CSC2=N1)C1=NN=N[N-]1	REAL000000001617	0	41	-1.0	-56.89	380.04	4.71	-52.19
CCCC(NC(=O)CSCC1=CC(=O)N2C=CSC2=N1)C1=N[N-]N=N1	REAL000000001617	1	41	-1.0	-56.89	379.98	4.71	-52.18
CCCC(NC(=O)CSCC1=CC(=O)N2C=CSC2=N1)C1=NNN=N1	REAL000000001617	1	42	0.0	-18.66	376.22	4.39	-14.27
CCCC(NC(=O)C1=CC=C(NC(=O)NC2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL000000001618	0	45	-1.0	-53.34	392.87	4.07	-49.27
CCCC(NC(=O)C1=CC=C(NC(=O)NC2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL000000001618	1	45	-1.0	-53.35	392.81	4.06	-49.29
CCCC(NC(=O)C1=CC=C(NC(=O)NC2=CC=CC=C2)S1)C1=NNN=N1	REAL000000001618	1	46	0.0	-15.23	396.24	4.08	-11.16
CCCC(NC(=O)CN1N=C2CCCCCN2C1=O)C1=NN=N[N-]1	REAL000000001619	0	45	-1.0	-57.83	366.49	4.39	-53.45
CCCC(NC(=O)CN1N=C2CCCCCN2C1=O)C1=N[N-]N=N1	REAL000000001619	1	45	-1.0	-57.84	366.43	4.38	-53.46
CCCC(NC(=O)CN1N=C2CCCCCN2C1=O)C1=NNN=N1	REAL000000001619	1	46	0.0	-18.17	362.70	4.06	-14.11
CCCC(NC(=O)C1CC(=O)N(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000001620	0	43	-1.0	-57.70	351.50	4.41	-53.28
CCCC(NC(=O)C1CC(=O)N(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000001620	1	43	-1.0	-57.69	351.45	4.41	-53.29
CCCC(NC(=O)C1CC(=O)N(C)C2=CC=CC=C21)C1=NNN=N1	REAL000000001620	1	44	0.0	-17.58	354.88	4.42	-13.16
CCCC(NC(=O)CSC1=NN=CN1C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000001621	0	45	-1.0	-48.54	395.93	7.97	-40.57
CCCC(NC(=O)CSC1=NN=CN1C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000001621	1	45	-1.0	-48.54	395.87	7.97	-40.57
CCCC(NC(=O)CSC1=NN=CN1C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000001621	1	46	0.0	-14.57	399.31	7.98	-6.59
CCCC(NC(=O)CSC1=NN=CN1C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000001622	0	46	-1.0	-48.79	404.01	6.60	-42.18
CCCC(NC(=O)CSC1=NN=CN1C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000001622	1	46	-1.0	-48.78	403.96	6.60	-42.19
CCCC(NC(=O)CSC1=NN=CN1C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000001622	1	47	0.0	-15.06	407.39	6.62	-8.44
CCCC(NC(=O)CSC1=NN=CN1C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000001623	0	42	-1.0	-47.34	391.25	7.81	-39.52
CCCC(NC(=O)CSC1=NN=CN1C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000001623	1	42	-1.0	-47.33	391.20	7.81	-39.53
CCCC(NC(=O)CSC1=NN=CN1C1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000001623	1	43	0.0	-11.74	387.44	7.50	-4.25
CCCC(NC(=O)C1=C2C(C)=NN(C)C2=NC(C2=CC=CS2)=C1)C1=NN=N[N-]1	REAL000000001624	0	47	-1.0	-47.10	404.76	5.91	-41.18
CCCC(NC(=O)C1=C2C(C)=NN(C)C2=NC(C2=CC=CS2)=C1)C1=N[N-]N=N1	REAL000000001624	1	47	-1.0	-47.09	404.70	5.91	-41.18
CCCC(NC(=O)C1=C2C(C)=NN(C)C2=NC(C2=CC=CS2)=C1)C1=NNN=N1	REAL000000001624	1	48	0.0	-13.28	408.15	5.92	-7.36
CCCC(NC(=O)C1=CC(C)=C(OCC2=CC=CN=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000001625	0	51	-1.0	-49.39	424.44	6.78	-42.61
CCCC(NC(=O)C1=CC(C)=C(OCC2=CC=CN=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000001625	1	51	-1.0	-49.39	424.39	6.77	-42.62
CCCC(NC(=O)C1=CC(C)=C(OCC2=CC=CN=C2)C(C)=C1)C1=NNN=N1	REAL000000001625	1	52	0.0	-14.21	427.83	6.79	-7.42
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000001626	0	51	-1.0	-46.85	422.84	7.93	-38.92
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000001626	1	51	-1.0	-46.86	422.78	7.92	-38.93
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)C1)C1=NNN=N1	REAL000000001626	1	52	0.0	-10.25	426.22	7.97	-2.29
CCCC(NC(=O)C(C#N)=CC1=C(C)N(CCC(C)C)C(C)=C1)C1=NN=N[N-]1	REAL000000001627	0	56	-1.0	-48.82	451.57	8.54	-40.28
CCCC(NC(=O)C(C#N)=CC1=C(C)N(CCC(C)C)C(C)=C1)C1=N[N-]N=N1	REAL000000001627	1	56	-1.0	-48.82	451.51	8.55	-40.27
CCCC(NC(=O)C(C#N)=CC1=C(C)N(CCC(C)C)C(C)=C1)C1=NNN=N1	REAL000000001627	1	57	0.0	-12.48	454.90	8.56	-3.92
CCCC(NC(=O)C(C#N)=CC1=C(C)N(C2CCCCC2)C(C)=C1)C1=NN=N[N-]1	REAL000000001628	0	57	-1.0	-48.44	442.96	8.63	-39.81
CCCC(NC(=O)C(C#N)=CC1=C(C)N(C2CCCCC2)C(C)=C1)C1=N[N-]N=N1	REAL000000001628	1	57	-1.0	-48.44	442.90	8.63	-39.81
CCCC(NC(=O)C(C#N)=CC1=C(C)N(C2CCCCC2)C(C)=C1)C1=NNN=N1	REAL000000001628	1	58	0.0	-12.16	445.61	8.63	-3.53
CCCC(NC(=O)C1=CC2=CC=C(OC)C=C2N1)C1=NN=N[N-]1	REAL000000001629	0	40	-1.0	-46.25	337.51	2.88	-43.36
CCCC(NC(=O)C1=CC2=CC=C(OC)C=C2N1)C1=N[N-]N=N1	REAL000000001629	1	40	-1.0	-46.25	337.46	2.88	-43.38
CCCC(NC(=O)C1=CC2=CC=C(OC)C=C2N1)C1=NNN=N1	REAL000000001629	1	41	0.0	-11.80	340.89	2.89	-8.91
CCCC(NC(=O)C1=CC2=CC(Cl)=CC=C2N1)C1=NN=N[N-]1	REAL000000001630	0	36	-1.0	-44.46	324.81	4.09	-40.38
CCCC(NC(=O)C1=CC2=CC(Cl)=CC=C2N1)C1=N[N-]N=N1	REAL000000001630	1	36	-1.0	-44.46	324.75	4.09	-40.38
CCCC(NC(=O)C1=CC2=CC(Cl)=CC=C2N1)C1=NNN=N1	REAL000000001630	1	37	0.0	-11.27	328.19	4.09	-7.17
CCCC(NC(=O)C1=C(O)C=C2C=CC=CC2=C1)C1=NN=N[N-]1	REAL000000001631	0	39	-1.0	-50.25	329.22	4.44	-45.81
CCCC(NC(=O)C1=C(O)C=C2C=CC=CC2=C1)C1=N[N-]N=N1	REAL000000001631	1	39	-1.0	-50.25	329.16	4.44	-45.81
CCCC(NC(=O)CC1=CC=C(NC(=O)OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000001632	0	52	-1.0	-51.43	421.06	4.57	-46.86
CCCC(NC(=O)CC1=CC=C(NC(=O)OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000001632	1	52	-1.0	-51.42	421.00	4.57	-46.85
CCCC(NC(=O)CC1=CC=C(NC(=O)OC(C)(C)C)C=C1)C1=NNN=N1	REAL000000001632	1	53	0.0	-12.31	417.25	4.25	-8.06
CCCC(NC(=O)CCC1=NC2=C(C=NN2C)C(=O)N1)C1=NN=N[N-]1	REAL000000001633	0	43	-1.0	-48.25	368.19	2.36	-45.90
CCCC(NC(=O)CCC1=NC2=C(C=NN2C)C(=O)N1)C1=N[N-]N=N1	REAL000000001633	1	43	-1.0	-48.26	368.13	2.35	-45.91
CCCC(NC(=O)CCC1=NC2=C(C=NN2C)C(=O)N1)C1=NNN=N1	REAL000000001633	1	44	0.0	-15.34	364.38	2.04	-13.30
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(C(N)=O)C1)C1=NN=N[N-]1	REAL000000001634	0	45	-1.0	-48.04	386.86	0.91	-47.12
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(C(N)=O)C1)C1=N[N-]N=N1	REAL000000001634	1	45	-1.0	-48.04	386.80	0.92	-47.13
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(C(N)=O)C1)C1=NNN=N1	REAL000000001634	1	46	0.0	-14.65	382.88	0.60	-14.05
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-])C1=NN=N[N-]1	REAL000000001635	0	47	-2.0	-114.76	401.50	2.33	-112.43
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-])C1=N[N-]N=N1	REAL000000001635	1	47	-2.0	-114.77	401.44	2.33	-112.44
CCCC(NC(=O)C1=CC(Br)=CC=C1O)C1=NN=N[N-]1	REAL000000001636	0	33	-1.0	-46.66	304.48	2.80	-43.86
CCCC(NC(=O)C1=CC(Br)=CC=C1O)C1=N[N-]N=N1	REAL000000001636	1	33	-1.0	-46.65	304.42	2.79	-43.86
CCCC(NC(=O)CCNC1=CC=CC=C1C)C1=NN=N[N-]1	REAL000000001637	0	43	-1.0	-46.61	351.81	4.06	-42.55
CCCC(NC(=O)CCNC1=CC=CC=C1C)C1=N[N-]N=N1	REAL000000001637	1	43	-1.0	-46.60	351.76	4.05	-42.55
CCCC(NC(=O)CCNC1=CC=CC=C1C)C1=NNN=N1	REAL000000001637	1	44	0.0	-12.15	355.19	4.07	-8.08
CCCC(NC(=O)C1=CC(Cl)=CC=C1Br)C1=NN=N[N-]1	REAL000000001638	0	32	-1.0	-44.11	307.35	4.79	-39.32
CCCC(NC(=O)C1=CC(Cl)=CC=C1Br)C1=N[N-]N=N1	REAL000000001638	1	32	-1.0	-44.11	307.29	4.79	-39.32
CCCC(NC(=O)C1=CC(Cl)=CC=C1Br)C1=NNN=N1	REAL000000001638	1	33	0.0	-9.41	310.72	4.80	-4.61
CCCC(NC(=O)C1=CSC(C2=CC=CO2)=N1)C1=NN=N[N-]1	REAL000000001639	0	35	-1.0	-49.64	324.16	2.49	-47.15
CCCC(NC(=O)C1=CSC(C2=CC=CO2)=N1)C1=N[N-]N=N1	REAL000000001639	1	35	-1.0	-49.64	324.10	2.49	-47.15
CCCC(NC(=O)C1=CSC(C2=CC=CO2)=N1)C1=NNN=N1	REAL000000001639	1	36	0.0	-12.34	327.53	2.50	-9.84
CCCC(NC(=O)C=CC1=CC(Br)=C(O)C(OC)=C1)C1=NN=N[N-]1	REAL000000001640	0	41	-1.0	-46.24	369.46	2.67	-43.57
CCCC(NC(=O)C=CC1=CC(Br)=C(O)C(OC)=C1)C1=N[N-]N=N1	REAL000000001640	1	41	-1.0	-46.24	369.40	2.67	-43.57
CCCC(NC(=O)C=CC1=CC(Br)=C(O)C(OC)=C1)C1=NNN=N1	REAL000000001640	1	42	0.0	-12.86	372.83	2.68	-10.18
CCCC(NC(=O)C1=CC(C(C)C)=CC(C(C)C)=C1O)C1=NN=N[N-]1	REAL000000001641	0	51	-1.0	-49.27	401.90	6.09	-43.18
CCCC(NC(=O)C1=CC(C(C)C)=CC(C(C)C)=C1O)C1=N[N-]N=N1	REAL000000001641	1	51	-1.0	-49.27	401.84	6.08	-43.19
CCCC(NC(=O)C1=CC(C(C)C)=CC(C(C)C)=C1O)C1=NNN=N1	REAL000000001641	1	52	0.0	-11.11	405.27	6.10	-5.01
CCCC(NC(=O)C1=C(Cl)C2=C(C)C=C(C)C=C2S1)C1=NN=N[N-]1	REAL000000001642	0	41	-1.0	-47.07	362.08	6.67	-40.40
CCCC(NC(=O)C1=C(Cl)C2=C(C)C=C(C)C=C2S1)C1=N[N-]N=N1	REAL000000001642	1	41	-1.0	-47.06	362.02	6.67	-40.39
CCCC(NC(=O)C1=C(Cl)C2=C(C)C=C(C)C=C2S1)C1=NNN=N1	REAL000000001642	1	42	0.0	-10.73	365.47	6.68	-4.05
CCCC(NC(=O)C1=CC=C2C=CC=CC2=C1O)C1=NN=N[N-]1	REAL000000001643	0	39	-1.0	-49.20	328.12	4.48	-44.71
CCCC(NC(=O)C1=CC=C2C=CC=CC2=C1O)C1=N[N-]N=N1	REAL000000001643	1	39	-1.0	-49.19	328.06	4.48	-44.71
CCCC(NC(=O)C1=CC(C(C)(C)C)=CC(C(C)(C)C)=C1O)C1=NN=N[N-]1	REAL000000001644	0	57	-1.0	-46.74	429.01	7.16	-39.59
CCCC(NC(=O)C1=CC(C(C)(C)C)=CC(C(C)(C)C)=C1O)C1=N[N-]N=N1	REAL000000001644	1	57	-1.0	-46.74	428.96	7.16	-39.58
CCCC(NC(=O)C1=CC(C(C)(C)C)=CC(C(C)(C)C)=C1O)C1=NNN=N1	REAL000000001644	1	58	0.0	-10.87	432.39	7.16	-3.70
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1=NN=N[N-]1	REAL000000001645	0	34	-2.0	-88.95	307.78	3.37	-85.57
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1=N[N-]N=N1	REAL000000001645	1	34	-2.0	-88.95	307.72	3.38	-85.58
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1=NNN=N1	REAL000000001645	1	35	-1.0	-43.40	311.15	3.38	-40.02
CCCC(NC(=O)C1=C(C)N(C(C)C2=CC=CC=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000001646	0	52	-1.0	-51.03	399.15	7.71	-43.33
CCCC(NC(=O)C1=C(C)N(C(C)C2=CC=CC=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000001646	1	52	-1.0	-51.03	399.09	7.70	-43.33
CCCC(NC(=O)C1=C(C)N(C(C)C2=CC=CC=C2)C(C)=C1)C1=NNN=N1	REAL000000001646	1	53	0.0	-10.88	402.90	7.72	-3.16
CCCC(NC(=O)C(C)OC1=CC=CC=C1F)C1=NN=N[N-]1	REAL000000001647	0	39	-1.0	-54.54	330.76	4.92	-49.63
CCCC(NC(=O)C(C)OC1=CC=CC=C1F)C1=N[N-]N=N1	REAL000000001647	1	39	-1.0	-54.54	330.70	4.92	-49.62
CCCC(NC(=O)C(C)OC1=CC=CC=C1F)C1=NNN=N1	REAL000000001647	1	40	0.0	-17.84	334.13	4.93	-12.91
CCCC(NC(=O)COC1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL000000001648	0	36	-1.0	-46.29	330.49	4.78	-41.50
CCCC(NC(=O)COC1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL000000001648	1	36	-1.0	-46.28	330.43	4.78	-41.50
CCCC(NC(=O)COC1=CC=C(F)C(Cl)=C1)C1=NNN=N1	REAL000000001648	1	37	0.0	-13.40	333.86	4.79	-8.61
CCCC(NC(=O)C=CC1=CC=C(C(=O)NC)C=C1)C1=NN=N[N-]1	REAL000000001649	0	43	-1.0	-51.74	365.29	3.12	-48.61
CCCC(NC(=O)C=CC1=CC=C(C(=O)NC)C=C1)C1=N[N-]N=N1	REAL000000001649	1	43	-1.0	-51.73	365.24	3.12	-48.60
CCCC(NC(=O)C=CC1=CC=C(C(=O)NC)C=C1)C1=NNN=N1	REAL000000001649	1	44	0.0	-18.18	368.67	3.13	-15.05
CCCC(NC(=O)C=CC1=CC=C(OCC2=CC=CN=C2)C=C1)C1=NN=N[N-]1	REAL000000001650	0	49	-1.0	-50.03	414.91	6.34	-43.69
CCCC(NC(=O)C=CC1=CC=C(OCC2=CC=CN=C2)C=C1)C1=N[N-]N=N1	REAL000000001650	1	49	-1.0	-50.04	414.85	6.34	-43.71
CCCC(NC(=O)C=CC1=CC=C(OCC2=CC=CN=C2)C=C1)C1=NNN=N1	REAL000000001650	1	50	0.0	-14.61	418.28	6.34	-8.27
CCCC(NC(=O)C1=CC=C(N2C=CN=C2)C=C1)C1=NN=N[N-]1	REAL000000001651	0	39	-1.0	-48.06	330.15	6.05	-42.01
CCCC(NC(=O)C1=CC=C(N2C=CN=C2)C=C1)C1=N[N-]N=N1	REAL000000001651	1	39	-1.0	-48.06	330.09	6.04	-42.03
CCCC(NC(=O)C1=CC=C(N2C=CN=C2)C=C1)C1=NNN=N1	REAL000000001651	1	40	0.0	-14.67	333.53	6.05	-8.62
CCCC(NC(=O)CC1=CSC(C2=CC=C(OCC)C=C2)=N1)C1=NN=N[N-]1	REAL000000001652	0	48	-1.0	-54.92	413.91	5.54	-49.38
CCCC(NC(=O)CC1=CSC(C2=CC=C(OCC)C=C2)=N1)C1=N[N-]N=N1	REAL000000001652	1	48	-1.0	-54.92	413.85	5.53	-49.39
CCCC(NC(=O)CC1=CSC(C2=CC=C(OCC)C=C2)=N1)C1=NNN=N1	REAL000000001652	1	49	0.0	-12.21	410.17	5.20	-7.01
CCCC(NC(=O)C1CCN(C2=NN3C=NN=C3C=C2)CC1)C1=NN=N[N-]1	REAL000000001653	0	48	-1.0	-56.81	387.32	6.64	-50.17
CCCC(NC(=O)C1CCN(C2=NN3C=NN=C3C=C2)CC1)C1=N[N-]N=N1	REAL000000001653	1	48	-1.0	-56.81	387.26	6.64	-50.18
CCCC(NC(=O)C1CCN(C2=NN3C=NN=C3C=C2)CC1)C1=NNN=N1	REAL000000001653	1	49	0.0	-23.54	390.69	6.65	-16.89
CCCC(NC(=O)CCC1=CC=C(S(=O)(=O)NC2CC2)C=C1)C1=NN=N[N-]1	REAL000000001654	0	50	-1.0	-49.40	429.39	2.97	-46.42
CCCC(NC(=O)CCC1=CC=C(S(=O)(=O)NC2CC2)C=C1)C1=N[N-]N=N1	REAL000000001654	1	50	-1.0	-49.39	429.33	2.96	-46.43
CCCC(NC(=O)CCC1=CC=C(S(=O)(=O)NC2CC2)C=C1)C1=NNN=N1	REAL000000001654	1	51	0.0	-14.25	425.58	2.65	-11.60
CCCC(NC(=O)C1CCN(S(N)(=O)=O)CC1)C1=NN=N[N-]1	REAL000000001655	0	42	-1.0	-49.26	348.31	-2.30	-51.56
CCCC(NC(=O)C1CCN(S(N)(=O)=O)CC1)C1=N[N-]N=N1	REAL000000001655	1	42	-1.0	-49.26	348.25	-2.31	-51.56
CCCC(NC(=O)C1CCN(S(N)(=O)=O)CC1)C1=NNN=N1	REAL000000001655	1	43	0.0	-16.54	351.66	-2.29	-18.83
C=CCOC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000001656	0	40	-1.0	-46.62	338.52	4.48	-42.14
C=CCOC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000001656	1	40	-1.0	-46.60	338.46	4.47	-42.13
C=CCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000001656	1	41	0.0	-8.31	334.70	4.15	-4.15
CCCC(NC(=O)C1=CC=C(OCC2=CSC=N2)C(OC)=C1)C1=NN=N[N-]1	REAL000000001657	0	46	-1.0	-49.26	397.84	3.93	-45.33
CCCC(NC(=O)C1=CC=C(OCC2=CSC=N2)C(OC)=C1)C1=N[N-]N=N1	REAL000000001657	1	46	-1.0	-49.26	397.78	3.93	-45.33
CCCC(NC(=O)C1=CC=C(OCC2=CSC=N2)C(OC)=C1)C1=NNN=N1	REAL000000001657	1	47	0.0	-14.78	401.22	3.94	-10.84
CCCC(NC(=O)C1=CC=C2C(=O)N(C)C(=O)N(C)C2=N1)C1=NN=N[N-]1	REAL000000001658	0	43	-1.0	-43.14	364.88	3.38	-39.76
CCCC(NC(=O)C1=CC=C2C(=O)N(C)C(=O)N(C)C2=N1)C1=N[N-]N=N1	REAL000000001658	1	43	-1.0	-43.15	364.82	3.37	-39.78
CCCC(NC(=O)C1=CC=C2C(=O)N(C)C(=O)N(C)C2=N1)C1=NNN=N1	REAL000000001658	1	44	0.0	-11.39	368.25	3.39	-8.00
CCCC(NC(=O)CCNC(=O)C1=CC=C2C=CC=CC2=C1)C1=NN=N[N-]1	REAL000000001659	0	48	-1.0	-56.25	401.53	5.03	-51.22
CCCC(NC(=O)CCNC(=O)C1=CC=C2C=CC=CC2=C1)C1=N[N-]N=N1	REAL000000001659	1	48	-1.0	-56.25	401.47	5.02	-51.23
CCCC(NC(=O)CCNC(=O)C1=CC=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000001659	1	49	0.0	-17.86	397.73	4.70	-13.16
CCCC(NC(=O)C1=CC2=C(OC)C=CC(Br)=C2N1)C1=NN=N[N-]1	REAL000000001660	0	40	-1.0	-46.73	358.99	3.49	-43.24
CCCC(NC(=O)C1=CC2=C(OC)C=CC(Br)=C2N1)C1=N[N-]N=N1	REAL000000001660	1	40	-1.0	-46.73	358.93	3.48	-43.24
CCCC(NC(=O)C1=CC2=C(OC)C=CC(Br)=C2N1)C1=NNN=N1	REAL000000001660	1	41	0.0	-8.92	355.19	3.17	-5.75
CCCC(NC(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000001661	0	38	-1.0	-46.32	354.76	1.78	-44.54
CCCC(NC(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000001661	1	38	-1.0	-46.32	354.70	1.78	-44.54
CCCC(NC(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C1=NNN=N1	REAL000000001661	1	39	0.0	-10.56	350.97	1.45	-9.11
CCCC(NC(=O)C1=CC=CC(NC2=NC=CC=N2)=C1)C1=NN=N[N-]1	REAL000000001662	0	42	-1.0	-53.81	356.21	6.19	-47.62
CCCC(NC(=O)C1=CC=CC(NC2=NC=CC=N2)=C1)C1=N[N-]N=N1	REAL000000001662	1	42	-1.0	-53.81	356.15	6.18	-47.63
CCCC(NC(=O)C1=CC=CC(NC2=NC=CC=N2)=C1)C1=NNN=N1	REAL000000001662	1	43	0.0	-16.97	359.59	6.20	-10.77
CCCC(NC(=O)C1CC(=O)N(C2CCS(=O)(=O)C2)C1)C1=NN=N[N-]1	REAL000000001663	0	46	-1.0	-56.84	381.64	0.04	-56.80
CCCC(NC(=O)C1CC(=O)N(C2CCS(=O)(=O)C2)C1)C1=N[N-]N=N1	REAL000000001663	1	46	-1.0	-56.83	381.58	0.04	-56.79
CCCC(NC(=O)C1CC(=O)N(C2CCS(=O)(=O)C2)C1)C1=NNN=N1	REAL000000001663	1	47	0.0	-23.39	385.02	0.05	-23.34
CCCC(NC(=O)C1=CC=CC(OCC(N)=O)=C1)C1=NN=N[N-]1	REAL000000001664	0	40	-1.0	-61.80	342.42	1.07	-60.73
CCCC(NC(=O)C1=CC=CC(OCC(N)=O)=C1)C1=N[N-]N=N1	REAL000000001664	1	40	-1.0	-61.80	342.36	1.06	-60.74
CCCC(NC(=O)C1=CC=CC(OCC(N)=O)=C1)C1=NNN=N1	REAL000000001664	1	41	0.0	-24.27	345.79	1.08	-23.19
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(OC)C=C2)C1)C1=NN=N[N-]1	REAL000000001665	0	47	-1.0	-49.07	382.64	3.89	-45.18
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(OC)C=C2)C1)C1=N[N-]N=N1	REAL000000001665	1	47	-1.0	-49.07	382.59	3.88	-45.19
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(OC)C=C2)C1)C1=NNN=N1	REAL000000001665	1	48	0.0	-16.24	386.52	3.91	-12.33
CCCC(NC(=O)CN1CCS(=O)(=O)CC1)C1=NN=N[N-]1	REAL000000001666	0	40	-1.0	-52.61	333.10	-2.10	-54.71
CCCC(NC(=O)CN1CCS(=O)(=O)CC1)C1=N[N-]N=N1	REAL000000001666	1	40	-1.0	-52.60	333.05	-2.09	-54.70
CCCC(NC(=O)CN1CCS(=O)(=O)CC1)C1=NNN=N1	REAL000000001666	1	41	0.0	-18.20	336.48	-2.09	-20.29
CCCC(NC(=O)CNC(=O)C1=CN=C2C=CC=CC2=C1O)C1=NN=N[N-]1	REAL000000001667	0	45	-1.0	-48.94	382.56	1.09	-47.86
CCCC(NC(=O)CNC(=O)C1=CN=C2C=CC=CC2=C1O)C1=N[N-]N=N1	REAL000000001667	1	45	-1.0	-48.93	382.50	1.08	-47.85
CCCC(NC(=O)C1=C(Cl)C2=C(Cl)C=CC=C2S1)C1=NN=N[N-]1	REAL000000001668	0	35	-1.0	-49.03	337.63	5.89	-43.14
CCCC(NC(=O)C1=C(Cl)C2=C(Cl)C=CC=C2S1)C1=N[N-]N=N1	REAL000000001668	1	35	-1.0	-49.03	337.57	5.88	-43.15
CCCC(NC(=O)C1=C(Cl)C2=C(Cl)C=CC=C2S1)C1=NNN=N1	REAL000000001668	1	36	0.0	-9.92	333.83	5.56	-4.36
CCCC(NC(=O)C=CC1=CC=C(C(=O)NC2CC2)C=C1)C1=NN=N[N-]1	REAL000000001669	0	47	-1.0	-50.88	396.89	4.84	-46.04
CCCC(NC(=O)C=CC1=CC=C(C(=O)NC2CC2)C=C1)C1=N[N-]N=N1	REAL000000001669	1	47	-1.0	-50.88	396.84	4.84	-46.03
CCCC(NC(=O)C=CC1=CC=C(C(=O)NC2CC2)C=C1)C1=NNN=N1	REAL000000001669	1	48	0.0	-14.21	393.07	4.52	-9.69
CCCC(NC(=O)CCC1=CC=C(OC(F)F)C=C1)C1=NN=N[N-]1	REAL000000001670	0	42	-1.0	-48.18	359.63	4.69	-43.49
CCCC(NC(=O)CCC1=CC=C(OC(F)F)C=C1)C1=N[N-]N=N1	REAL000000001670	1	42	-1.0	-48.17	359.58	4.68	-43.49
CCCC(NC(=O)CCC1=CC=C(OC(F)F)C=C1)C1=NNN=N1	REAL000000001670	1	43	0.0	-12.90	363.01	4.70	-8.20
CCCC(NC(=O)C1CC(=O)N(CC2=CC=CO2)C1)C1=NN=N[N-]1	REAL000000001671	0	43	-1.0	-51.11	364.01	3.35	-47.76
CCCC(NC(=O)C1CC(=O)N(CC2=CC=CO2)C1)C1=N[N-]N=N1	REAL000000001671	1	43	-1.0	-51.11	363.95	3.34	-47.77
CCCC(NC(=O)C1CC(=O)N(CC2=CC=CO2)C1)C1=NNN=N1	REAL000000001671	1	44	0.0	-12.60	360.18	3.03	-9.57
CCCC(NC(=O)C1=CC(C2=CC=CO2)=NN1)C1=NN=N[N-]1	REAL000000001672	0	36	-1.0	-46.10	318.91	1.81	-44.29
CCCC(NC(=O)C1=CC(C2=CC=CO2)=NN1)C1=N[N-]N=N1	REAL000000001672	1	36	-1.0	-46.10	318.85	1.80	-44.30
CCCC(NC(=O)C1=CC(C2=CC=CO2)=NN1)C1=NNN=N1	REAL000000001672	1	37	0.0	-10.48	315.08	1.49	-8.99
CCCC(NC(=O)C1=C2C=C([N+](=O)[O-])C=CC2=NN1)C1=NN=N[N-]1	REAL000000001673	0	37	-1.0	-47.76	329.31	2.99	-44.77
CCCC(NC(=O)C1=C2C=C([N+](=O)[O-])C=CC2=NN1)C1=N[N-]N=N1	REAL000000001673	1	37	-1.0	-47.75	329.25	2.98	-44.77
CCCC(NC(=O)C1=C2C=C([N+](=O)[O-])C=CC2=NN1)C1=NNN=N1	REAL000000001673	1	38	0.0	-15.44	332.69	3.00	-12.44
CCCC(NC(=O)C1=CC=C(NC(=O)OC)C=C1)C1=NN=N[N-]1	REAL000000001674	0	40	-1.0	-52.03	341.43	1.90	-50.13
CCCC(NC(=O)C1=CC=C(NC(=O)OC)C=C1)C1=N[N-]N=N1	REAL000000001674	1	40	-1.0	-52.03	341.37	1.89	-50.14
CCCC(NC(=O)C1=CC=C(NC(=O)OC)C=C1)C1=NNN=N1	REAL000000001674	1	41	0.0	-16.53	344.81	1.91	-14.62
CCCC(NC(=O)C1=CC=C(N2C=CN=C2)N=C1)C1=NN=N[N-]1	REAL000000001675	0	38	-1.0	-46.15	327.41	5.31	-40.84
CCCC(NC(=O)C1=CC=C(N2C=CN=C2)N=C1)C1=N[N-]N=N1	REAL000000001675	1	38	-1.0	-46.14	327.35	5.31	-40.83
CCCC(NC(=O)C1=CC=C(N2C=CN=C2)N=C1)C1=NNN=N1	REAL000000001675	1	39	0.0	-11.51	323.61	4.99	-6.52
CCCC(NC(=O)CN1N=CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL000000001676	0	40	-1.0	-56.53	345.81	3.38	-53.16
CCCC(NC(=O)CN1N=CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL000000001676	1	40	-1.0	-56.53	345.75	3.37	-53.16
CCCC(NC(=O)CN1N=CC2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000001676	1	41	0.0	-20.35	349.17	3.39	-16.96
CCCC(NC(=O)C1=CC=C(CSC2=NC=CN2C)O1)C1=NN=N[N-]1	REAL000000001677	0	43	-1.0	-47.94	384.89	5.32	-42.62
CCCC(NC(=O)C1=CC=C(CSC2=NC=CN2C)O1)C1=N[N-]N=N1	REAL000000001677	1	43	-1.0	-47.95	384.83	5.31	-42.63
CCCC(NC(=O)C1=CC=C(CSC2=NC=CN2C)O1)C1=NNN=N1	REAL000000001677	1	44	0.0	-13.00	388.26	5.33	-7.67
CCCC(NC(=O)C1=C(C)C2=C(C)C=CN=C2S1)C1=NN=N[N-]1	REAL000000001678	0	40	-1.0	-47.60	336.93	4.25	-43.35
CCCC(NC(=O)C1=C(C)C2=C(C)C=CN=C2S1)C1=N[N-]N=N1	REAL000000001678	1	40	-1.0	-47.60	336.87	4.24	-43.35
CCCC(NC(=O)C1=C(C)C2=C(C)C=CN=C2S1)C1=NNN=N1	REAL000000001678	1	41	0.0	-10.03	333.35	3.93	-6.10
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(=O)C(C)N1)C1=NN=N[N-]1	REAL000000001679	0	45	-1.0	-44.19	380.56	3.42	-40.77
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(=O)C(C)N1)C1=N[N-]N=N1	REAL000000001679	1	45	-1.0	-44.18	380.50	3.42	-40.76
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(=O)C(C)N1)C1=NNN=N1	REAL000000001679	1	46	0.0	-11.89	383.95	3.43	-8.46
CCCC(NC(=O)C1=CC=C2NC3=C(CCCCC3)C2=C1)C1=NN=N[N-]1	REAL000000001680	0	49	-1.0	-51.49	383.21	6.58	-44.91
CCCC(NC(=O)C1=CC=C2NC3=C(CCCCC3)C2=C1)C1=N[N-]N=N1	REAL000000001680	1	49	-1.0	-51.49	383.15	6.57	-44.93
CCCC(NC(=O)C1=CC=C2NC3=C(CCCCC3)C2=C1)C1=NNN=N1	REAL000000001680	1	50	0.0	-13.75	386.57	6.59	-7.16
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(OCC)C=C2)S1)C1=NN=N[N-]1	REAL000000001681	0	48	-1.0	-45.91	409.49	5.41	-40.50
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(OCC)C=C2)S1)C1=N[N-]N=N1	REAL000000001681	1	48	-1.0	-45.91	409.44	5.41	-40.50
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(OCC)C=C2)S1)C1=NNN=N1	REAL000000001681	1	49	0.0	-9.00	405.69	5.09	-3.91
CCCC(NC(=O)C1=CN(C2=CC=CC=C2C(F)(F)F)N=N1)C1=NN=N[N-]1	REAL000000001682	0	41	-1.0	-50.61	361.09	4.46	-46.15
CCCC(NC(=O)C1=CN(C2=CC=CC=C2C(F)(F)F)N=N1)C1=N[N-]N=N1	REAL000000001682	1	41	-1.0	-50.60	361.03	4.46	-46.14
CCCC(NC(=O)C1=CN(C2=CC=CC=C2C(F)(F)F)N=N1)C1=NNN=N1	REAL000000001682	1	42	0.0	-15.95	364.46	4.47	-11.48
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NCC2CC2)=C1)C1=NN=N[N-]1	REAL000000001693	0	47	-1.0	-52.49	403.45	2.24	-50.25
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NCC2CC2)=C1)C1=N[N-]N=N1	REAL000000001693	1	47	-1.0	-52.49	403.39	2.24	-50.26
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NCC2CC2)=C1)C1=NNN=N1	REAL000000001693	1	48	0.0	-18.81	406.83	2.25	-16.56
CCCC(NC(=O)COC1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000001694	0	38	-1.0	-54.53	336.11	4.89	-49.65
CCCC(NC(=O)COC1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000001694	1	38	-1.0	-54.53	336.05	4.89	-49.65
CCCC(NC(=O)COC1=CC=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000001694	1	39	0.0	-21.26	339.48	4.90	-16.36
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCCC2)=C1)C1=NN=N[N-]1	REAL000000001695	0	47	-1.0	-51.50	399.52	2.77	-48.73
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCCC2)=C1)C1=N[N-]N=N1	REAL000000001695	1	47	-1.0	-51.50	399.47	2.76	-48.73
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCCC2)=C1)C1=NNN=N1	REAL000000001695	1	48	0.0	-19.14	402.92	2.78	-16.36
CCCC(NC(=O)C1=C(C)N=C2C(=C1)C(C)=NN2C)C1=NN=N[N-]1	REAL000000001696	0	43	-1.0	-46.54	357.05	4.06	-42.48
CCCC(NC(=O)C1=C(C)N=C2C(=C1)C(C)=NN2C)C1=N[N-]N=N1	REAL000000001696	1	43	-1.0	-46.53	356.99	4.06	-42.47
CCCC(NC(=O)C1=C(C)N=C2C(=C1)C(C)=NN2C)C1=NNN=N1	REAL000000001696	1	44	0.0	-14.09	360.42	4.07	-10.02
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NC2CCCC2)=C1)C1=NN=N[N-]1	REAL000000001697	0	50	-1.0	-52.67	416.18	2.70	-49.97
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NC2CCCC2)=C1)C1=N[N-]N=N1	REAL000000001697	1	50	-1.0	-52.67	416.12	2.70	-49.97
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NC2CCCC2)=C1)C1=NNN=N1	REAL000000001697	1	51	0.0	-14.49	412.35	2.39	-12.10
CCCC(NC(=O)C1=C(C)N(C2=CC=C(F)C=C2)N=C1)C1=NN=N[N-]1	REAL000000001698	0	42	-1.0	-45.49	356.69	5.28	-40.21
CCCC(NC(=O)C1=C(C)N(C2=CC=C(F)C=C2)N=C1)C1=N[N-]N=N1	REAL000000001698	1	42	-1.0	-45.50	356.64	5.28	-40.22
CCCC(NC(=O)C1=C(C)N(C2=CC=C(F)C=C2)N=C1)C1=NNN=N1	REAL000000001698	1	43	0.0	-9.12	354.50	4.99	-4.13
CCCC(NC(=O)C1=COC(Br)=C1)C1=NN=N[N-]1	REAL000000001699	0	29	-1.0	-45.76	279.43	2.34	-43.41
CCCC(NC(=O)C1=COC(Br)=C1)C1=N[N-]N=N1	REAL000000001699	1	29	-1.0	-45.76	279.38	2.35	-43.41
CCCC(NC(=O)C1=COC(Br)=C1)C1=NNN=N1	REAL000000001699	1	30	0.0	-12.37	282.81	2.35	-10.02
CCCC(NC(=O)CCC1=NC(C2=CC=C(OCC)C=C2)=NO1)C1=NN=N[N-]1	REAL000000001700	0	50	-1.0	-45.71	422.58	4.02	-41.69
CCCC(NC(=O)CCC1=NC(C2=CC=C(OCC)C=C2)=NO1)C1=N[N-]N=N1	REAL000000001700	1	50	-1.0	-45.71	422.52	4.03	-41.68
CCCC(NC(=O)CCC1=NC(C2=CC=C(OCC)C=C2)=NO1)C1=NNN=N1	REAL000000001700	1	51	0.0	-13.42	425.95	4.03	-9.39
CCCC(NC(=O)COC1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL000000001701	0	36	-1.0	-51.44	320.53	4.35	-47.09
CCCC(NC(=O)COC1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL000000001701	1	36	-1.0	-51.43	320.47	4.35	-47.08
CCCC(NC(=O)COC1=CC=C(F)C=C1F)C1=NNN=N1	REAL000000001701	1	37	0.0	-13.83	316.68	3.94	-9.89
CCCC(NC(=O)C1=CC=C(OCC2=CC=CN=C2)C=C1)C1=NN=N[N-]1	REAL000000001702	0	45	-1.0	-49.20	380.36	5.16	-44.04
CCCC(NC(=O)C1=CC=C(OCC2=CC=CN=C2)C=C1)C1=N[N-]N=N1	REAL000000001702	1	45	-1.0	-49.21	380.30	5.15	-44.06
CCCC(NC(=O)C1=CC=C(OCC2=CC=CN=C2)C=C1)C1=NNN=N1	REAL000000001702	1	46	0.0	-15.00	383.73	5.17	-9.83
CCCC(NC(=O)C1=CC=C(OCC2=CC=CN=C2)C(OCC)=C1)C1=NN=N[N-]1	REAL000000001703	0	52	-1.0	-50.92	431.42	5.99	-44.93
CCCC(NC(=O)C1=CC=C(OCC2=CC=CN=C2)C(OCC)=C1)C1=N[N-]N=N1	REAL000000001703	1	52	-1.0	-50.92	431.36	5.98	-44.94
CCCC(NC(=O)C1=CC=C(OCC2=CC=CN=C2)C(OCC)=C1)C1=NNN=N1	REAL000000001703	1	53	0.0	-13.47	427.60	5.67	-7.80
CCCC(NC(=O)CC(NC(N)=O)C1=CC=CC=C1C)C1=NN=N[N-]1	REAL000000001704	0	47	-1.0	-44.54	377.28	1.48	-43.05
CCCC(NC(=O)CC(NC(N)=O)C1=CC=CC=C1C)C1=N[N-]N=N1	REAL000000001704	1	47	-1.0	-44.54	377.22	1.48	-43.06
CCCC(NC(=O)CC(NC(N)=O)C1=CC=CC=C1C)C1=NNN=N1	REAL000000001704	1	48	0.0	-10.34	373.47	1.17	-9.17
CCCC(NC(=O)CCOC1=CC=C(C)C=C1C)C1=NN=N[N-]1	REAL000000001705	0	45	-1.0	-45.68	370.33	5.39	-40.29
CCCC(NC(=O)CCOC1=CC=C(C)C=C1C)C1=N[N-]N=N1	REAL000000001705	1	45	-1.0	-45.68	370.27	5.39	-40.29
CCCC(NC(=O)CCOC1=CC=C(C)C=C1C)C1=NNN=N1	REAL000000001705	1	46	0.0	-11.15	373.71	5.40	-5.75
CCCC1=CC=C(N2CC(C(=O)NC(CCC)C3=NN=N[N-]3)CC2=O)C=C1	REAL000000001706	0	52	-1.0	-48.64	417.52	6.81	-41.83
CCCC1=CC=C(N2CC(C(=O)NC(CCC)C3=N[N-]N=N3)CC2=O)C=C1	REAL000000001706	1	52	-1.0	-48.63	417.47	6.80	-41.83
CCCC1=CC=C(N2CC(C(=O)NC(CCC)C3=NNN=N3)CC2=O)C=C1	REAL000000001706	1	53	0.0	-14.82	420.90	6.81	-8.01
CCCC(NC(=O)C1CCN(C2=CN=CC=N2)CC1)C1=NN=N[N-]1	REAL000000001707	0	45	-1.0	-48.72	361.16	2.34	-46.38
CCCC(NC(=O)C1CCN(C2=CN=CC=N2)CC1)C1=N[N-]N=N1	REAL000000001707	1	45	-1.0	-48.72	361.10	2.33	-46.39
CCCC(NC(=O)C1CCN(C2=CN=CC=N2)CC1)C1=NNN=N1	REAL000000001707	1	46	0.0	-13.97	364.53	2.35	-11.62
CCCCC1=CC=C(N2CC(C(=O)NC(CCC)C3=NN=N[N-]3)CC2=O)C=C1	REAL000000001708	0	55	-1.0	-48.65	439.02	7.59	-41.06
CCCCC1=CC=C(N2CC(C(=O)NC(CCC)C3=N[N-]N=N3)CC2=O)C=C1	REAL000000001708	1	55	-1.0	-48.65	438.97	7.58	-41.07
CCCCC1=CC=C(N2CC(C(=O)NC(CCC)C3=NNN=N3)CC2=O)C=C1	REAL000000001708	1	56	0.0	-14.80	442.40	7.60	-7.20
CCCC(NC(=O)C1=CC(C2CC2)=NC2=C1C(=O)NC(=O)N2C)C1=NN=N[N-]1	REAL000000001709	0	47	-1.0	-48.30	391.67	4.52	-43.78
CCCC(NC(=O)C1=CC(C2CC2)=NC2=C1C(=O)NC(=O)N2C)C1=N[N-]N=N1	REAL000000001709	1	47	-1.0	-48.30	391.61	4.52	-43.78
CCCC(NC(=O)C1=CC(C2CC2)=NC2=C1C(=O)NC(=O)N2C)C1=NNN=N1	REAL000000001709	1	48	0.0	-15.06	395.04	4.53	-10.53
CCCC(NC(=O)C1=CC(C2CC2)=NC2=C1C(=O)NC(=O)N2CC)C1=NN=N[N-]1	REAL000000001710	0	50	-1.0	-48.41	413.48	5.45	-42.96
CCCC(NC(=O)C1=CC(C2CC2)=NC2=C1C(=O)NC(=O)N2CC)C1=N[N-]N=N1	REAL000000001710	1	50	-1.0	-48.42	413.42	5.46	-42.96
CCCC(NC(=O)C1=CC(C2CC2)=NC2=C1C(=O)NC(=O)N2CC)C1=NNN=N1	REAL000000001710	1	51	0.0	-15.00	416.85	5.47	-9.53
CCCC(NC(=O)C1CC(=O)N(C2=CC=C3CCCC3=C2)C1)C1=NN=N[N-]1	REAL000000001711	0	50	-1.0	-46.33	399.21	6.52	-39.81
CCCC(NC(=O)C1CC(=O)N(C2=CC=C3CCCC3=C2)C1)C1=N[N-]N=N1	REAL000000001711	1	50	-1.0	-46.33	399.15	6.52	-39.80
CCCC(NC(=O)C1CC(=O)N(C2=CC=C3CCCC3=C2)C1)C1=NNN=N1	REAL000000001711	1	51	0.0	-15.74	402.11	6.53	-9.21
CCCC(NC(=O)CC1=CC=C(N2C=NN=N2)C=C1)C1=NN=N[N-]1	REAL000000001712	0	40	-1.0	-53.77	347.26	4.49	-49.28
CCCC(NC(=O)CC1=CC=C(N2C=NN=N2)C=C1)C1=N[N-]N=N1	REAL000000001712	1	40	-1.0	-53.76	347.20	4.49	-49.27
CCCC(NC(=O)CC1=CC=C(N2C=NN=N2)C=C1)C1=NNN=N1	REAL000000001712	1	41	0.0	-18.94	350.64	4.50	-14.44
CCCC(NC(=O)CCC(=O)CCC(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL000000001713	0	45	-1.0	-47.30	396.50	5.54	-41.76
CCCC(NC(=O)CCC(=O)CCC(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL000000001713	1	45	-1.0	-47.30	396.44	5.54	-41.75
CCCC(NC(=O)CCC(=O)CCC(=O)C1=CC=CS1)C1=NNN=N1	REAL000000001713	1	46	0.0	-13.13	399.88	5.55	-7.58
CCCC(NC(=O)C1CCC(C(F)(F)F)NC1=O)C1=NN=N[N-]1	REAL000000001714	0	39	-1.0	-49.29	332.53	1.37	-47.91
CCCC(NC(=O)C1CCC(C(F)(F)F)NC1=O)C1=N[N-]N=N1	REAL000000001714	1	39	-1.0	-49.29	332.48	1.37	-47.92
CCCC(NC(=O)C1CCC(C(F)(F)F)NC1=O)C1=NNN=N1	REAL000000001714	1	40	0.0	-10.00	328.72	1.05	-8.95
CCCC(NC(=O)C1=CC=C(C(=O)OCC)C(C)=N1)C1=NN=N[N-]1	REAL000000001715	0	43	-1.0	-44.12	364.65	4.00	-40.11
CCCC(NC(=O)C1=CC=C(C(=O)OCC)C(C)=N1)C1=N[N-]N=N1	REAL000000001715	1	43	-1.0	-44.11	364.59	4.01	-40.11
CCCC(NC(=O)C1=CC=C(C(=O)OCC)C(C)=N1)C1=NNN=N1	REAL000000001715	1	44	0.0	-9.56	368.03	4.01	-5.54
CCCC(NC(=O)CC(NC(N)=O)C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL000000001716	0	47	-1.0	-49.70	392.23	1.91	-47.79
CCCC(NC(=O)CC(NC(N)=O)C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL000000001716	1	47	-1.0	-49.71	392.18	1.91	-47.80
CCCC(NC(=O)CC(NC(N)=O)C1=CC=CC(C)=C1)C1=NNN=N1	REAL000000001716	1	48	0.0	-19.93	395.60	1.92	-18.01
CCCC(NC(=O)C(C)OC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL000000001717	0	39	-1.0	-52.13	340.56	5.38	-46.74
CCCC(NC(=O)C(C)OC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL000000001717	1	39	-1.0	-52.12	340.50	5.37	-46.75
CCCC(NC(=O)C(C)OC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000001717	1	40	0.0	-15.87	343.94	5.39	-10.47
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=N2)C(C)=C1)C1=NN=N[N-]1	REAL000000001718	0	45	-1.0	-54.38	372.09	6.52	-47.86
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=N2)C(C)=C1)C1=N[N-]N=N1	REAL000000001718	1	45	-1.0	-54.38	372.03	6.52	-47.86
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=N2)C(C)=C1)C1=NNN=N1	REAL000000001718	1	46	0.0	-12.16	368.28	6.19	-5.97
CCCC(NC(=O)C1=C(C)N(C2=NC=CS2)C(C)=C1)C1=NN=N[N-]1	REAL000000001719	0	42	-1.0	-51.22	363.57	5.54	-45.68
CCCC(NC(=O)C1=C(C)N(C2=NC=CS2)C(C)=C1)C1=N[N-]N=N1	REAL000000001719	1	42	-1.0	-51.22	363.51	5.53	-45.69
CCCC(NC(=O)C1=C(C)N(C2=NC=CS2)C(C)=C1)C1=NNN=N1	REAL000000001719	1	43	0.0	-12.92	366.85	5.52	-7.41
CCCC(NC(=O)C1=C(C)N(C2=CC=CN=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000001720	0	45	-1.0	-50.84	372.61	5.66	-45.18
CCCC(NC(=O)C1=C(C)N(C2=CC=CN=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000001720	1	45	-1.0	-50.84	372.56	5.66	-45.18
CCCC(NC(=O)C1=C(C)N(C2=CC=CN=C2)C(C)=C1)C1=NNN=N1	REAL000000001720	1	46	0.0	-12.61	376.02	5.67	-6.95
CCCC(NC(=O)C1=C(C)N(CC2=CC=CC=N2)C(C)=C1)C1=NN=N[N-]1	REAL000000001721	0	48	-1.0	-54.32	394.19	6.44	-47.88
CCCC(NC(=O)C1=C(C)N(CC2=CC=CC=N2)C(C)=C1)C1=N[N-]N=N1	REAL000000001721	1	48	-1.0	-54.33	394.13	6.44	-47.89
CCCC(NC(=O)C1=C(C)N(CC2=CC=CC=N2)C(C)=C1)C1=NNN=N1	REAL000000001721	1	49	0.0	-15.49	397.56	6.44	-9.04
CCCC(NC(=O)CCOC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL000000001722	0	39	-1.0	-43.52	335.26	4.04	-39.48
CCCC(NC(=O)CCOC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL000000001722	1	39	-1.0	-43.52	335.20	4.03	-39.49
CCCC(NC(=O)CCOC1=CC=CC(F)=C1)C1=NNN=N1	REAL000000001722	1	40	0.0	-8.27	331.44	3.72	-4.55
CCCC(NC(=O)CN1C(=O)C2=CC=CC=C2N2C(=O)CCC21C)C1=NN=N[N-]1	REAL000000001723	0	51	-1.0	-64.98	411.30	4.93	-60.04
CCCC(NC(=O)CN1C(=O)C2=CC=CC=C2N2C(=O)CCC21C)C1=N[N-]N=N1	REAL000000001723	1	51	-1.0	-64.97	411.24	4.92	-60.05
CCCC(NC(=O)CN1C(=O)C2=CC=CC=C2N2C(=O)CCC21C)C1=NNN=N1	REAL000000001723	1	52	0.0	-25.53	414.67	4.94	-20.59
CCCC(NC(=O)CCOC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000001724	0	39	-1.0	-44.01	335.26	4.03	-39.97
CCCC(NC(=O)CCOC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000001724	1	39	-1.0	-44.00	335.20	4.02	-39.97
CCCC(NC(=O)CCOC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000001724	1	40	0.0	-10.85	338.64	4.04	-6.81
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(Cl)=C2)N=C1)C1=NN=N[N-]1	REAL000000001725	0	42	-1.0	-46.79	366.97	5.72	-41.07
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(Cl)=C2)N=C1)C1=N[N-]N=N1	REAL000000001725	1	42	-1.0	-46.79	366.91	5.72	-41.07
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(Cl)=C2)N=C1)C1=NNN=N1	REAL000000001725	1	43	0.0	-9.11	363.16	5.41	-3.70
CCCCOC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1OCCCC	REAL000000001726	0	58	-1.0	-47.66	462.67	7.92	-39.74
CCCCOC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1OCCCC	REAL000000001726	1	58	-1.0	-47.66	462.61	7.92	-39.74
CCCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1OCCCC	REAL000000001726	1	59	0.0	-13.18	466.05	7.93	-5.25
CCCC(NC(=O)C1=CC=C(CN2CCCCC2=O)C=C1)C1=NN=N[N-]1	REAL000000001727	0	49	-1.0	-54.42	394.76	6.02	-48.40
CCCC(NC(=O)C1=CC=C(CN2CCCCC2=O)C=C1)C1=N[N-]N=N1	REAL000000001727	1	49	-1.0	-54.41	394.70	6.01	-48.40
CCCC(NC(=O)C1=CC=C(CN2CCCCC2=O)C=C1)C1=NNN=N1	REAL000000001727	1	50	0.0	-18.40	398.14	6.03	-12.37
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)CC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000001728	0	48	-1.0	-55.42	416.39	5.10	-50.32
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)CC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000001728	1	48	-1.0	-55.41	416.34	5.09	-50.32
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)CC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000001728	1	49	0.0	-21.58	419.77	5.11	-16.47
CCCC(NC(=O)C1=CC=CC(NC(=O)C2CCCCC2)=C1)C1=NN=N[N-]1	REAL000000001729	0	52	-1.0	-61.68	411.99	5.92	-55.76
CCCC(NC(=O)C1=CC=CC(NC(=O)C2CCCCC2)=C1)C1=N[N-]N=N1	REAL000000001729	1	52	-1.0	-61.69	411.94	5.91	-55.78
CCCC(NC(=O)C1=CC=CC(NC(=O)C2CCCCC2)=C1)C1=NNN=N1	REAL000000001729	1	53	0.0	-16.57	408.29	5.62	-10.95
CCCC(NC(=O)C1CCN(C(=O)N(CC)CC)CC1)C1=NN=N[N-]1	REAL000000001730	0	53	-1.0	-56.08	402.06	4.66	-51.42
CCCC(NC(=O)C1CCN(C(=O)N(CC)CC)CC1)C1=N[N-]N=N1	REAL000000001730	1	53	-1.0	-56.07	402.00	4.66	-51.41
CCCC(NC(=O)C1CCN(C(=O)N(CC)CC)CC1)C1=NNN=N1	REAL000000001730	1	54	0.0	-14.41	398.25	4.35	-10.06
CCCC(NC(=O)CNS(=O)(=O)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL000000001731	0	40	-1.0	-53.03	357.62	-2.26	-55.29
CCCC(NC(=O)CNS(=O)(=O)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL000000001731	1	40	-1.0	-53.03	357.57	-2.27	-55.29
CCCC(NC(=O)CNS(=O)(=O)C1=CN(C)N=C1)C1=NNN=N1	REAL000000001731	1	41	0.0	-20.86	361.00	-2.25	-23.11
CCCC(NC(=O)C1CCN(C(=O)N(C)C)CC1)C1=NN=N[N-]1	REAL000000001732	0	47	-1.0	-50.73	360.77	2.93	-47.79
CCCC(NC(=O)C1CCN(C(=O)N(C)C)CC1)C1=N[N-]N=N1	REAL000000001732	1	47	-1.0	-50.71	360.71	2.92	-47.79
CCCC(NC(=O)C1CCN(C(=O)N(C)C)CC1)C1=NNN=N1	REAL000000001732	1	48	0.0	-19.19	364.65	2.93	-16.26
CCCC(NC(=O)C1=C(Cl)C2=CC(C)=CC=C2N1)C1=NN=N[N-]1	REAL000000001733	0	39	-1.0	-46.93	344.14	4.80	-42.14
CCCC(NC(=O)C1=C(Cl)C2=CC(C)=CC=C2N1)C1=N[N-]N=N1	REAL000000001733	1	39	-1.0	-46.93	344.09	4.79	-42.14
CCCC(NC(=O)C1=C(Cl)C2=CC(C)=CC=C2N1)C1=NNN=N1	REAL000000001733	1	40	0.0	-12.52	347.52	4.81	-7.71
CCCC(NC(=O)C1CCN(C(=O)NC2CC2)CC1)C1=NN=N[N-]1	REAL000000001734	0	48	-1.0	-52.81	381.24	3.36	-49.45
CCCC(NC(=O)C1CCN(C(=O)NC2CC2)CC1)C1=N[N-]N=N1	REAL000000001734	1	48	-1.0	-52.81	381.19	3.35	-49.46
CCCC(NC(=O)C1CCN(C(=O)NC2CC2)CC1)C1=NNN=N1	REAL000000001734	1	49	0.0	-18.52	384.59	3.37	-15.15
CCCC(NC(=O)C1=CSC(CC2=CC=C(Cl)C=C2)=N1)C1=NN=N[N-]1	REAL000000001735	0	41	-1.0	-47.63	381.67	5.63	-41.99
CCCC(NC(=O)C1=CSC(CC2=CC=C(Cl)C=C2)=N1)C1=N[N-]N=N1	REAL000000001735	1	41	-1.0	-47.63	381.61	5.63	-42.01
CCCC(NC(=O)C1=CSC(CC2=CC=C(Cl)C=C2)=N1)C1=NNN=N1	REAL000000001735	1	42	0.0	-11.59	385.05	5.64	-5.94
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1OCC(C)C)C1=NN=N[N-]1	REAL000000001736	0	52	-1.0	-54.90	430.47	6.74	-48.16
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1OCC(C)C)C1=N[N-]N=N1	REAL000000001736	1	52	-1.0	-54.90	430.41	6.73	-48.17
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1OCC(C)C)C1=NNN=N1	REAL000000001736	1	53	0.0	-14.81	433.85	6.75	-8.06
CCCC(NC(=O)C1=CC=C2NC(=O)CCCC2=C1)C1=NN=N[N-]1	REAL000000001737	0	43	-1.0	-48.25	349.71	3.78	-44.47
CCCC(NC(=O)C1=CC=C2NC(=O)CCCC2=C1)C1=N[N-]N=N1	REAL000000001737	1	43	-1.0	-48.25	349.66	3.77	-44.48
CCCC(NC(=O)C1=CC=C2NC(=O)CCCC2=C1)C1=NNN=N1	REAL000000001737	1	44	0.0	-14.27	353.11	3.79	-10.48
CCCC(NC(=O)CCOC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000001738	0	39	-1.0	-43.37	345.58	4.48	-38.89
CCCC(NC(=O)CCOC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000001738	1	39	-1.0	-43.37	345.52	4.47	-38.90
CCCC(NC(=O)CCOC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000001738	1	40	0.0	-10.31	348.95	4.49	-5.82
CCCC(NC(=O)C1=C(C)N=C(CC2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL000000001739	0	44	-1.0	-45.26	381.86	5.89	-39.37
CCCC(NC(=O)C1=C(C)N=C(CC2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL000000001739	1	44	-1.0	-45.25	381.80	5.89	-39.37
CCCC(NC(=O)C1=C(C)N=C(CC2=CC=CC=C2)S1)C1=NNN=N1	REAL000000001739	1	45	0.0	-11.25	385.24	5.90	-5.34
CCCC(NC(=O)CC1=C(C)NC2=CC=C(Br)C=C21)C1=NN=N[N-]1	REAL000000001740	0	42	-1.0	-52.38	371.71	5.50	-46.89
CCCC(NC(=O)CC1=C(C)NC2=CC=C(Br)C=C21)C1=N[N-]N=N1	REAL000000001740	1	42	-1.0	-52.38	371.65	5.50	-46.88
CCCC(NC(=O)CC1=C(C)NC2=CC=C(Br)C=C21)C1=NNN=N1	REAL000000001740	1	43	0.0	-13.16	375.09	5.50	-7.65
CCCC(NC(=O)CCOC1=CC(C)=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000001741	0	44	-1.0	-48.03	376.28	6.07	-41.95
CCCC(NC(=O)CCOC1=CC(C)=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000001741	1	44	-1.0	-48.02	376.22	6.07	-41.95
CCCC(NC(=O)CCOC1=CC(C)=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000001741	1	45	0.0	-12.78	372.47	5.76	-7.02
CCCC(NC(=O)C(C)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000001742	0	42	-1.0	-50.40	352.44	5.45	-44.94
CCCC(NC(=O)C(C)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000001742	1	42	-1.0	-50.40	352.38	5.44	-44.96
CCCC(NC(=O)C(C)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000001742	1	43	0.0	-14.41	356.61	5.41	-8.99
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000001743	0	39	-1.0	-50.17	335.73	4.81	-45.36
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000001743	1	39	-1.0	-50.18	335.67	4.81	-45.37
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000001743	1	40	0.0	-12.45	339.11	4.82	-7.63
CCCC(NC(=O)C1=CC=C(N2C=C(Br)C=N2)C=C1)C1=NN=N[N-]1	REAL000000001744	0	39	-1.0	-48.03	354.32	5.47	-42.56
CCCC(NC(=O)C1=CC=C(N2C=C(Br)C=N2)C=C1)C1=N[N-]N=N1	REAL000000001744	1	39	-1.0	-48.03	354.27	5.46	-42.57
CCCC(NC(=O)C1=CC=C(N2C=C(Br)C=N2)C=C1)C1=NNN=N1	REAL000000001744	1	40	0.0	-10.63	350.52	5.14	-5.49
CCCC(NC(=O)C1=CC=C(N2[N-]C(CC(=O)OC)=CC2=O)C=C1)C1=NN=N[N-]1	REAL000000001745	0	48	-2.0	-96.19	414.05	4.73	-91.47
CCCC(NC(=O)C1CC(=O)N(C2CCCCC2)C1)C1=NN=N[N-]1	REAL000000001746	0	49	-1.0	-48.44	380.42	4.69	-43.75
CCCC(NC(=O)C1CC(=O)N(C2CCCCC2)C1)C1=N[N-]N=N1	REAL000000001746	1	49	-1.0	-48.43	380.36	4.68	-43.75
CCCC(NC(=O)C1CC(=O)N(C2CCCCC2)C1)C1=NNN=N1	REAL000000001746	1	50	0.0	-13.36	383.79	4.70	-8.66
CCCC(NC(=O)CC1=CC=C(N2C=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000001747	0	43	-1.0	-47.85	359.87	7.11	-40.74
CCCC(NC(=O)CC1=CC=C(N2C=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000001747	1	43	-1.0	-47.84	359.81	7.10	-40.74
CCCC(NC(=O)CC1=CC=C(N2C=CC=C2)C=C1)C1=NNN=N1	REAL000000001747	1	44	0.0	-13.89	363.24	7.12	-6.77
CCCC(NC(=O)COC1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL000000001748	0	39	-1.0	-54.10	345.37	5.27	-48.83
CCCC(NC(=O)COC1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL000000001748	1	39	-1.0	-54.10	345.31	5.27	-48.82
CCCC(NC(=O)COC1=CC=CC=C1C(F)(F)F)C1=NNN=N1	REAL000000001748	1	40	0.0	-18.34	348.75	5.28	-13.05
CCCC(NC(=O)C1=CC2=C(C(F)(F)F)C=C(C)N=C2O1)C1=NN=N[N-]1	REAL000000001749	0	40	-1.0	-45.76	361.28	2.63	-43.12
CCCC(NC(=O)C1=CC2=C(C(F)(F)F)C=C(C)N=C2O1)C1=N[N-]N=N1	REAL000000001749	1	40	-1.0	-45.75	361.22	2.62	-43.13
CCCC(NC(=O)C1=CC2=C(C(F)(F)F)C=C(C)N=C2O1)C1=NNN=N1	REAL000000001749	1	41	0.0	-11.12	364.66	2.64	-8.48
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CN1)C1=NN=N[N-]1	REAL000000001750	0	41	-1.0	-51.98	359.24	-0.62	-52.59
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CN1)C1=N[N-]N=N1	REAL000000001750	1	41	-1.0	-51.97	359.18	-0.63	-52.60
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CN1)C1=NNN=N1	REAL000000001750	1	42	0.0	-19.13	362.55	-0.63	-19.76
CCCC(NC(=O)C1=CC2=CC(Br)=CC=C2O1)C1=NN=N[N-]1	REAL000000001751	0	35	-1.0	-42.86	326.85	4.65	-38.21
CCCC(NC(=O)C1=CC2=CC(Br)=CC=C2O1)C1=N[N-]N=N1	REAL000000001751	1	35	-1.0	-42.86	326.80	4.65	-38.21
CCCC(NC(=O)C1=CC2=CC(Br)=CC=C2O1)C1=NNN=N1	REAL000000001751	1	36	0.0	-8.96	330.23	4.66	-4.30
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C)O1)C1=NN=N[N-]1	REAL000000001752	0	46	-1.0	-45.49	385.59	-0.04	-45.52
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C)O1)C1=N[N-]N=N1	REAL000000001752	1	46	-1.0	-45.48	385.53	-0.04	-45.52
CCCC(NC(=O)C1=C2C=CC(F)=CC2=NC(C)=C1)C1=NN=N[N-]1	REAL000000001753	0	40	-1.0	-44.56	338.52	4.69	-39.88
CCCC(NC(=O)C1=C2C=CC(F)=CC2=NC(C)=C1)C1=N[N-]N=N1	REAL000000001753	1	40	-1.0	-44.57	338.46	4.69	-39.88
CCCC(NC(=O)C1=C2C=CC(F)=CC2=NC(C)=C1)C1=NNN=N1	REAL000000001753	1	41	0.0	-12.22	341.89	4.70	-7.52
CCCC(NC(=O)C1=CC(S(=O)(=O)NC(C)C)=CC=C1F)C1=NN=N[N-]1	REAL000000001754	0	46	-1.0	-53.17	393.73	1.32	-51.85
CCCC(NC(=O)C1=CC(S(=O)(=O)NC(C)C)=CC=C1F)C1=N[N-]N=N1	REAL000000001754	1	46	-1.0	-53.17	393.67	1.31	-51.86
CCCC(NC(=O)C1=CC(S(=O)(=O)NC(C)C)=CC=C1F)C1=NNN=N1	REAL000000001754	1	47	0.0	-16.84	399.09	1.41	-15.43
CCCC(NC(=O)C1=CC2=CC=CC(OC)=C2O1)C1=NN=N[N-]1	REAL000000001755	0	39	-1.0	-48.23	335.09	3.33	-44.90
CCCC(NC(=O)C1=CC2=CC=CC(OC)=C2O1)C1=N[N-]N=N1	REAL000000001755	1	39	-1.0	-48.23	335.04	3.33	-44.90
CCCC(NC(=O)C1=CC2=CC=CC(OC)=C2O1)C1=NNN=N1	REAL000000001755	1	40	0.0	-10.39	331.29	3.02	-7.37
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1)C1=NN=N[N-]1	REAL000000001756	0	39	-1.0	-48.91	342.14	4.88	-44.03
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1)C1=N[N-]N=N1	REAL000000001756	1	39	-1.0	-48.91	342.08	4.88	-44.03
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1)C1=NNN=N1	REAL000000001756	1	40	0.0	-12.29	345.52	4.89	-7.41
CCCC(NC(=O)CCOC1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL000000001757	0	39	-1.0	-44.81	360.76	4.95	-39.86
CCCC(NC(=O)CCOC1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL000000001757	1	39	-1.0	-44.81	360.70	4.94	-39.87
CCCC(NC(=O)CCOC1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000001757	1	40	0.0	-11.21	364.13	4.96	-6.25
CCCC(NC(=O)CCOC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL000000001758	0	39	-1.0	-44.76	344.88	4.53	-40.22
CCCC(NC(=O)CCOC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL000000001758	1	39	-1.0	-44.75	344.82	4.52	-40.23
CCCC(NC(=O)CCOC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000001758	1	40	0.0	-11.01	348.26	4.54	-6.47
CCCC(NC(=O)C1=CN=C2C(=C1)C(C)=NN2C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000001759	0	47	-1.0	-48.04	397.78	6.95	-41.10
CCCC(NC(=O)C1=CN=C2C(=C1)C(C)=NN2C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000001759	1	47	-1.0	-48.04	397.72	6.95	-41.09
CCCC(NC(=O)C1=CN=C2C(=C1)C(C)=NN2C1=CC=CC=C1)C1=NNN=N1	REAL000000001759	1	48	0.0	-12.75	393.96	6.63	-6.13
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC)O1)C1=NN=N[N-]1	REAL000000001760	0	37	-1.0	-46.36	337.62	-2.12	-48.48
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC)O1)C1=N[N-]N=N1	REAL000000001760	1	37	-1.0	-46.35	337.56	-2.13	-48.49
CCCC(NC(=O)CCCC1=NC(C2=CC=C(Cl)C=C2)=NO1)C1=NN=N[N-]1	REAL000000001761	0	46	-1.0	-51.66	409.50	5.07	-46.59
CCCC(NC(=O)CCCC1=NC(C2=CC=C(Cl)C=C2)=NO1)C1=N[N-]N=N1	REAL000000001761	1	46	-1.0	-51.65	409.44	5.07	-46.58
CCCC(NC(=O)CCCC1=NC(C2=CC=C(Cl)C=C2)=NO1)C1=NNN=N1	REAL000000001761	1	47	0.0	-16.88	412.87	5.08	-11.80
CCCC(NC(=O)CCOC1=C(C)C=CC=C1C)C1=NN=N[N-]1	REAL000000001762	0	45	-1.0	-45.94	370.59	5.50	-40.44
CCCC(NC(=O)CCOC1=C(C)C=CC=C1C)C1=N[N-]N=N1	REAL000000001762	1	45	-1.0	-45.94	370.54	5.50	-40.44
CCCC(NC(=O)CCOC1=C(C)C=CC=C1C)C1=NNN=N1	REAL000000001762	1	46	0.0	-11.41	373.97	5.51	-5.90
CCCC(NC(=O)C1CC(=O)N(CC(F)(F)F)C1)C1=NN=N[N-]1	REAL000000001763	0	39	-1.0	-46.42	342.07	2.67	-43.76
CCCC(NC(=O)C1CC(=O)N(CC(F)(F)F)C1)C1=N[N-]N=N1	REAL000000001763	1	39	-1.0	-46.42	342.01	2.67	-43.75
CCCC(NC(=O)C1CC(=O)N(CC(F)(F)F)C1)C1=NNN=N1	REAL000000001763	1	40	0.0	-14.23	338.21	2.33	-11.90
CCCC(NC(=O)CCC1=C(C)N=C2C(=C1C)C(OC)=NN2C)C1=NN=N[N-]1	REAL000000001764	0	53	-1.0	-47.20	428.63	3.26	-43.94
CCCC(NC(=O)CCC1=C(C)N=C2C(=C1C)C(OC)=NN2C)C1=N[N-]N=N1	REAL000000001764	1	53	-1.0	-47.20	428.57	3.25	-43.94
CCCC(NC(=O)CCC1=C(C)N=C2C(=C1C)C(OC)=NN2C)C1=NNN=N1	REAL000000001764	1	54	0.0	-15.03	432.00	3.27	-11.76
CCCC(NC(=O)C1=CC=CC(NC(=O)C2=CC=C(F)C=C2)=C1)C1=NN=N[N-]1	REAL000000001765	0	46	-1.0	-61.96	392.82	5.73	-56.23
CCCC(NC(=O)C1=CC=CC(NC(=O)C2=CC=C(F)C=C2)=C1)C1=N[N-]N=N1	REAL000000001765	1	46	-1.0	-61.97	392.76	5.73	-56.23
CCCC(NC(=O)C1=CC=CC(NC(=O)C2=CC=C(F)C=C2)=C1)C1=NNN=N1	REAL000000001765	1	47	0.0	-21.82	396.20	5.74	-16.08
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)NC(C)C)=C1)C1=NN=N[N-]1	REAL000000001766	0	46	-1.0	-52.33	398.02	1.43	-50.91
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)NC(C)C)=C1)C1=N[N-]N=N1	REAL000000001766	1	46	-1.0	-52.33	397.96	1.43	-50.90
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)NC(C)C)=C1)C1=NNN=N1	REAL000000001766	1	47	0.0	-18.20	401.40	1.44	-16.77
CCCC(NC(=O)C1CCN(S(=O)(=O)C2=CC=CN=C2)CC1)C1=NN=N[N-]1	REAL000000001767	0	49	-1.0	-52.01	407.57	1.72	-50.28
CCCC(NC(=O)C1CCN(S(=O)(=O)C2=CC=CN=C2)CC1)C1=N[N-]N=N1	REAL000000001767	1	49	-1.0	-52.01	407.51	1.72	-50.28
CCCC(NC(=O)C1CCN(S(=O)(=O)C2=CC=CN=C2)CC1)C1=NNN=N1	REAL000000001767	1	50	0.0	-18.71	410.92	1.74	-16.98
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2C)N=C1)C1=NN=N[N-]1	REAL000000001768	0	45	-1.0	-47.94	369.64	6.14	-41.80
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2C)N=C1)C1=N[N-]N=N1	REAL000000001768	1	45	-1.0	-47.94	369.58	6.14	-41.80
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2C)N=C1)C1=NNN=N1	REAL000000001768	1	46	0.0	-12.49	372.99	6.15	-6.33
CCCC(NC(=O)C1=CC=C(N2N=C(C)C=C2C)N=C1)C1=NN=N[N-]1	REAL000000001769	0	44	-1.0	-46.72	369.73	5.61	-41.11
CCCC(NC(=O)C1=CC=C(N2N=C(C)C=C2C)N=C1)C1=N[N-]N=N1	REAL000000001769	1	44	-1.0	-46.72	369.67	5.61	-41.11
CCCC(NC(=O)C1=CC=C(N2N=C(C)C=C2C)N=C1)C1=NNN=N1	REAL000000001769	1	45	0.0	-14.23	373.11	5.62	-8.61
CCCC(NC(=O)C1=C(Cl)C2=CC(Cl)=CC=C2N1)C1=NN=N[N-]1	REAL000000001770	0	36	-1.0	-45.50	339.48	4.64	-40.86
CCCC(NC(=O)C1=C(Cl)C2=CC(Cl)=CC=C2N1)C1=N[N-]N=N1	REAL000000001770	1	36	-1.0	-45.50	339.42	4.64	-40.86
CCCC(NC(=O)C1=C(Cl)C2=CC(Cl)=CC=C2N1)C1=NNN=N1	REAL000000001770	1	37	0.0	-12.54	342.86	4.65	-7.90
CCCC(NC(=O)CC1=CSC(C2=CC=C(C)O2)=N1)C1=NN=N[N-]1	REAL000000001771	0	41	-1.0	-60.63	367.09	4.16	-56.47
CCCC(NC(=O)CC1=CSC(C2=CC=C(C)O2)=N1)C1=N[N-]N=N1	REAL000000001771	1	41	-1.0	-60.62	367.03	4.15	-56.47
CCCC(NC(=O)CC1=CSC(C2=CC=C(C)O2)=N1)C1=NNN=N1	REAL000000001771	1	42	0.0	-20.22	370.47	4.16	-16.06
CCCC(NC(=O)CN(C)C(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL000000001772	0	39	-1.0	-49.90	339.93	3.02	-46.88
CCCC(NC(=O)CN(C)C(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL000000001772	1	39	-1.0	-49.90	339.87	3.02	-46.89
CCCC(NC(=O)CN(C)C(=O)C1=CC=CS1)C1=NNN=N1	REAL000000001772	1	40	0.0	-14.43	335.92	2.69	-11.74
CCCC(NC(=O)C1CC(=O)N(C2=C(C)C=C(C)C=C2C)C1)C1=NN=N[N-]1	REAL000000001783	0	52	-1.0	-50.03	419.51	7.75	-42.29
CCCC(NC(=O)C1CC(=O)N(C2=C(C)C=C(C)C=C2C)C1)C1=N[N-]N=N1	REAL000000001783	1	52	-1.0	-50.03	419.45	7.74	-42.29
CCCC(NC(=O)C1CC(=O)N(C2=C(C)C=C(C)C=C2C)C1)C1=NNN=N1	REAL000000001783	1	53	0.0	-15.66	415.69	7.42	-8.24
CCCC(NC(=O)C1=C(C)N(C2=CC=C(F)C=C2)N=N1)C1=NN=N[N-]1	REAL000000001784	0	41	-1.0	-44.32	354.64	3.91	-40.42
CCCC(NC(=O)C1=C(C)N(C2=CC=C(F)C=C2)N=N1)C1=N[N-]N=N1	REAL000000001784	1	41	-1.0	-44.32	354.58	3.91	-40.41
CCCC(NC(=O)C1=C(C)N(C2=CC=C(F)C=C2)N=N1)C1=NNN=N1	REAL000000001784	1	42	0.0	-10.52	358.00	3.92	-6.61
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2F)S1)C1=NN=N[N-]1	REAL000000001785	0	39	-1.0	-47.93	353.85	6.50	-41.43
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2F)S1)C1=N[N-]N=N1	REAL000000001785	1	39	-1.0	-47.93	353.79	6.50	-41.43
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2F)S1)C1=NNN=N1	REAL000000001785	1	40	0.0	-11.32	357.22	6.51	-4.81
CCCC(NC(=O)C1=CSC(NC(C)=O)=N1)C1=NN=N[N-]1	REAL000000001786	0	35	-1.0	-49.31	318.22	0.72	-48.60
CCCC(NC(=O)C1=CSC(NC(C)=O)=N1)C1=N[N-]N=N1	REAL000000001786	1	35	-1.0	-49.31	318.16	0.72	-48.60
CCCC(NC(=O)C1=CSC(NC(C)=O)=N1)C1=NNN=N1	REAL000000001786	1	36	0.0	-13.48	321.31	0.73	-12.75
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)O1)C1=NN=N[N-]1	REAL000000001787	0	45	-1.0	-48.72	389.37	-0.73	-49.46
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)O1)C1=N[N-]N=N1	REAL000000001787	1	45	-1.0	-48.72	389.31	-0.73	-49.45
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)O1)C1=NNN=N1	REAL000000001787	1	46	0.0	-13.82	392.75	-0.72	-14.54
CCCC(NC(=O)C1CCCN(C(=O)C2CC2)C1)C1=NN=N[N-]1	REAL000000001788	0	46	-1.0	-51.59	365.63	4.21	-47.37
CCCC(NC(=O)C1CCCN(C(=O)C2CC2)C1)C1=N[N-]N=N1	REAL000000001788	1	46	-1.0	-51.59	365.58	4.21	-47.38
CCCC(NC(=O)C1CCCN(C(=O)C2CC2)C1)C1=NNN=N1	REAL000000001788	1	47	0.0	-14.31	361.64	3.90	-10.41
CCCC(NC(=O)COC1=CC=CC(NC(=O)C2CC2)=C1)C1=NN=N[N-]1	REAL000000001789	0	47	-1.0	-52.26	395.08	4.71	-47.55
CCCC(NC(=O)COC1=CC=CC(NC(=O)C2CC2)=C1)C1=N[N-]N=N1	REAL000000001789	1	47	-1.0	-52.26	395.02	4.70	-47.56
CCCC(NC(=O)COC1=CC=CC(NC(=O)C2CC2)=C1)C1=NNN=N1	REAL000000001789	1	48	0.0	-18.80	398.46	4.72	-14.08
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2Cl)=C1)C1=NN=N[N-]1	REAL000000001790	0	38	-1.0	-46.36	349.58	5.17	-41.20
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2Cl)=C1)C1=N[N-]N=N1	REAL000000001790	1	38	-1.0	-46.36	349.52	5.17	-41.19
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2Cl)=C1)C1=NNN=N1	REAL000000001790	1	39	0.0	-10.51	352.93	5.18	-5.33
CCCC(NC(=O)C1CCN(C(=O)CCC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL000000001791	0	55	-1.0	-52.72	437.19	7.30	-45.41
CCCC(NC(=O)C1CCN(C(=O)CCC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL000000001791	1	55	-1.0	-52.72	437.13	7.30	-45.42
CCCC(NC(=O)C1CCN(C(=O)CCC2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000001791	1	56	0.0	-15.06	440.56	7.31	-7.75
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000001792	0	49	-1.0	-64.23	404.88	6.58	-57.65
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000001792	1	49	-1.0	-64.23	404.82	6.58	-57.65
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000001792	1	50	0.0	-22.71	408.26	6.58	-16.13
CCCC(NC(=O)C1=CC=C(NC(=O)C(C)C)C=C1)C1=NN=N[N-]1	REAL000000001793	0	45	-1.0	-54.53	370.24	4.04	-50.49
CCCC(NC(=O)C1=CC=C(NC(=O)C(C)C)C=C1)C1=N[N-]N=N1	REAL000000001793	1	45	-1.0	-54.54	370.18	4.03	-50.51
CCCC(NC(=O)C1=CC=C(NC(=O)C(C)C)C=C1)C1=NNN=N1	REAL000000001793	1	46	0.0	-18.02	373.62	4.05	-13.97
CCCC(NC(=O)COC1=CC=CC(NC(=O)C2=CC=CO2)=C1)C1=NN=N[N-]1	REAL000000001794	0	47	-1.0	-61.85	403.90	4.25	-57.60
CCCC(NC(=O)COC1=CC=CC(NC(=O)C2=CC=CO2)=C1)C1=N[N-]N=N1	REAL000000001794	1	47	-1.0	-61.85	403.84	4.24	-57.61
CCCC(NC(=O)COC1=CC=CC(NC(=O)C2=CC=CO2)=C1)C1=NNN=N1	REAL000000001794	1	48	0.0	-20.28	400.09	3.83	-16.45
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NCC(C)C)C=C1)C1=NN=N[N-]1	REAL000000001795	0	49	-1.0	-48.12	412.99	2.15	-45.97
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NCC(C)C)C=C1)C1=N[N-]N=N1	REAL000000001795	1	49	-1.0	-48.11	412.93	2.14	-45.97
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NCC(C)C)C=C1)C1=NNN=N1	REAL000000001795	1	50	0.0	-16.05	416.37	2.16	-13.89
CCCC(NC(=O)C1=CC2=C(F)C=C(Br)C=C2N1)C1=NN=N[N-]1	REAL000000001796	0	36	-1.0	-43.92	335.88	4.25	-39.67
CCCC(NC(=O)C1=CC2=C(F)C=C(Br)C=C2N1)C1=N[N-]N=N1	REAL000000001796	1	36	-1.0	-43.93	335.82	4.25	-39.67
CCCC(NC(=O)C1=CC2=C(F)C=C(Br)C=C2N1)C1=NNN=N1	REAL000000001796	1	37	0.0	-8.17	332.07	3.93	-4.24
CCCC(NC(=O)C1=CC2=CC=C(Cl)C=C2N1)C1=NN=N[N-]1	REAL000000001797	0	36	-1.0	-43.58	324.82	4.08	-39.50
CCCC(NC(=O)C1=CC2=CC=C(Cl)C=C2N1)C1=N[N-]N=N1	REAL000000001797	1	36	-1.0	-43.58	324.76	4.08	-39.50
CCCC(NC(=O)C1=CC2=CC=C(Cl)C=C2N1)C1=NNN=N1	REAL000000001797	1	37	0.0	-10.32	328.19	4.09	-6.23
CCCC(NC(=O)C1=CC=C2NC(=O)NC2=C1)C1=NN=N[N-]1	REAL000000001798	0	36	-1.0	-49.03	310.06	0.47	-48.56
CCCC(NC(=O)C1=CC=C2NC(=O)NC2=C1)C1=N[N-]N=N1	REAL000000001798	1	36	-1.0	-49.03	310.00	0.46	-48.57
CCCC(NC(=O)C1=CC=C2NC(=O)NC2=C1)C1=NNN=N1	REAL000000001798	1	37	0.0	-16.38	313.44	0.48	-15.90
CCCC(NC(=O)C1=CC(C2=CC=C(C)C=C2)=NO1)C1=NN=N[N-]1	REAL000000001799	0	41	-1.0	-42.68	354.42	5.31	-37.37
CCCC(NC(=O)C1=CC(C2=CC=C(C)C=C2)=NO1)C1=N[N-]N=N1	REAL000000001799	1	41	-1.0	-42.68	354.36	5.30	-37.38
CCCC(NC(=O)C1=CC(C2=CC=C(C)C=C2)=NO1)C1=NNN=N1	REAL000000001799	1	42	0.0	-9.96	357.80	5.32	-4.64
CCCC(NC(=O)CN(C)S(=O)(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000001800	0	43	-1.0	-54.41	373.66	2.06	-52.35
CCCC(NC(=O)CN(C)S(=O)(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000001800	1	43	-1.0	-54.42	373.61	2.06	-52.36
CCCC(NC(=O)CN(C)S(=O)(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000001800	1	44	0.0	-21.46	377.65	2.03	-19.43
CCCC(NC(=O)C(C)OC1=CC=C(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000001801	0	49	-1.0	-50.26	398.68	8.28	-41.98
CCCC(NC(=O)C(C)OC1=CC=C(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000001801	1	49	-1.0	-50.26	398.62	8.28	-41.98
CCCC(NC(=O)C(C)OC1=CC=C(C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000001801	1	50	0.0	-15.11	402.06	8.29	-6.82
CCCC(NC(=O)CCC1=NC(C(C)C)=NO1)C1=NN=N[N-]1	REAL000000001802	0	42	-1.0	-44.33	354.26	1.80	-42.53
CCCC(NC(=O)CCC1=NC(C(C)C)=NO1)C1=N[N-]N=N1	REAL000000001802	1	42	-1.0	-44.33	354.20	1.79	-42.54
CCCC(NC(=O)CCC1=NC(C(C)C)=NO1)C1=NNN=N1	REAL000000001802	1	43	0.0	-9.42	350.41	1.47	-7.94
CCCC(NC(=O)CC1=CSC(CC2=CC=CC=N2)=N1)C1=NN=N[N-]1	REAL000000001803	0	43	-1.0	-60.92	380.27	4.16	-56.76
CCCC(NC(=O)CC1=CSC(CC2=CC=CC=N2)=N1)C1=N[N-]N=N1	REAL000000001803	1	43	-1.0	-60.92	380.21	4.15	-56.77
CCCC(NC(=O)CC1=CSC(CC2=CC=CC=N2)=N1)C1=NNN=N1	REAL000000001803	1	44	0.0	-19.11	383.64	4.17	-14.94
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C=C1)C1=NN=N[N-]1	REAL000000001804	0	39	-1.0	-54.68	340.23	4.97	-49.71
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C=C1)C1=N[N-]N=N1	REAL000000001804	1	39	-1.0	-54.69	340.18	4.96	-49.72
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C=C1)C1=NNN=N1	REAL000000001804	1	40	0.0	-15.56	343.61	4.98	-10.58
CCCC(NC(=O)CC1=C(C)N=C(C)NC1=O)C1=NN=N[N-]1	REAL000000001805	0	40	-1.0	-60.05	336.93	1.52	-58.53
CCCC(NC(=O)CC1=C(C)N=C(C)NC1=O)C1=N[N-]N=N1	REAL000000001805	1	40	-1.0	-60.05	336.87	1.52	-58.53
CCCC(NC(=O)CC1=C(C)N=C(C)NC1=O)C1=NNN=N1	REAL000000001805	1	41	0.0	-20.09	340.31	1.53	-18.56
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(C)O2)S1)C1=NN=N[N-]1	REAL000000001806	0	41	-1.0	-45.72	363.35	4.12	-41.60
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(C)O2)S1)C1=N[N-]N=N1	REAL000000001806	1	41	-1.0	-45.72	363.29	4.11	-41.61
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(C)O2)S1)C1=NNN=N1	REAL000000001806	1	42	0.0	-10.80	366.73	4.12	-6.68
CCCC(NC(=O)C1CC(=O)N(CC2=CC=CC=N2)C1)C1=NN=N[N-]1	REAL000000001807	0	45	-1.0	-46.55	378.20	3.39	-43.16
CCCC(NC(=O)C1CC(=O)N(CC2=CC=CC=N2)C1)C1=N[N-]N=N1	REAL000000001807	1	45	-1.0	-46.55	378.14	3.39	-43.16
CCCC(NC(=O)C1CC(=O)N(CC2=CC=CC=N2)C1)C1=NNN=N1	REAL000000001807	1	46	0.0	-14.71	381.58	3.40	-11.31
CCCC(NC(=O)C1=C2N=CC=C(C3=CC=CC=C3)N2N=C1)C1=NN=N[N-]1	REAL000000001808	0	44	-1.0	-57.77	380.50	6.11	-51.66
CCCC(NC(=O)C1=C2N=CC=C(C3=CC=CC=C3)N2N=C1)C1=N[N-]N=N1	REAL000000001808	1	44	-1.0	-57.77	380.45	6.10	-51.67
CCCC(NC(=O)C1=C2N=CC=C(C3=CC=CC=C3)N2N=C1)C1=NNN=N1	REAL000000001808	1	45	0.0	-16.22	376.69	5.79	-10.43
CCCC(NC(=O)CCCC1=NC(C(C)(C)C)=NO1)C1=NN=N[N-]1	REAL000000001809	0	48	-1.0	-51.82	395.17	3.13	-48.69
CCCC(NC(=O)CCCC1=NC(C(C)(C)C)=NO1)C1=N[N-]N=N1	REAL000000001809	1	48	-1.0	-51.81	395.11	3.12	-48.69
CCCC(NC(=O)CCCC1=NC(C(C)(C)C)=NO1)C1=NNN=N1	REAL000000001809	1	49	0.0	-16.64	398.55	3.13	-13.51
CCCC(NC(=O)CC1=CC=C(C(C)=O)C=C1)C1=NN=N[N-]1	REAL000000001810	0	40	-1.0	-51.94	339.49	4.71	-47.23
CCCC(NC(=O)CC1=CC=C(C(C)=O)C=C1)C1=N[N-]N=N1	REAL000000001810	1	40	-1.0	-51.94	339.44	4.70	-47.23
CCCC(NC(=O)CC1=CC=C(C(C)=O)C=C1)C1=NNN=N1	REAL000000001810	1	41	0.0	-13.56	336.45	4.42	-9.14
CCCC(NC(=O)C1=C(Br)C2=CC=CC=C2N1C)C1=NN=N[N-]1	REAL000000001811	0	39	-1.0	-43.29	352.70	5.65	-37.64
CCCC(NC(=O)C1=C(Br)C2=CC=CC=C2N1C)C1=N[N-]N=N1	REAL000000001811	1	39	-1.0	-43.29	352.64	5.64	-37.65
CCCC(NC(=O)C1=C(Br)C2=CC=CC=C2N1C)C1=NNN=N1	REAL000000001811	1	40	0.0	-10.65	356.07	5.66	-5.00
CCCC(NC(=O)CN(C)S(=O)(=O)C1=CC=CN=C1)C1=NN=N[N-]1	REAL000000001812	0	42	-1.0	-59.84	368.67	0.26	-59.58
CCCC(NC(=O)CN(C)S(=O)(=O)C1=CC=CN=C1)C1=N[N-]N=N1	REAL000000001812	1	42	-1.0	-59.83	368.62	0.25	-59.58
CCCC(NC(=O)CN(C)S(=O)(=O)C1=CC=CN=C1)C1=NNN=N1	REAL000000001812	1	43	0.0	-20.42	372.05	0.27	-20.15
CCCC(NC(=O)C1=CC=C(F)C(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000001813	0	37	-1.0	-53.16	334.03	-1.33	-54.49
CCCC(NC(=O)C1=CC=C(F)C(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000001813	1	37	-1.0	-53.15	333.97	-1.33	-54.48
CCCC(NC(=O)C1=CC=C(F)C(S(N)(=O)=O)=C1)C1=NNN=N1	REAL000000001813	1	38	0.0	-19.91	337.35	-1.32	-21.22
CCCC(NC(=O)CCCC1=NC(C2=CC=C(OC)C=C2)=NO1)C1=NN=N[N-]1	REAL000000001814	0	50	-1.0	-53.67	422.22	3.88	-49.80
CCCC(NC(=O)CCCC1=NC(C2=CC=C(OC)C=C2)=NO1)C1=N[N-]N=N1	REAL000000001814	1	50	-1.0	-53.67	422.16	3.87	-49.80
CCCC(NC(=O)CCCC1=NC(C2=CC=C(OC)C=C2)=NO1)C1=NNN=N1	REAL000000001814	1	51	0.0	-18.81	425.60	3.89	-14.92
CCCC(NC(=O)C1CCCN(C(=O)N2CCCC2)C1)C1=NN=N[N-]1	REAL000000001815	0	51	-1.0	-45.16	389.81	4.15	-41.02
CCCC(NC(=O)C1CCCN(C(=O)N2CCCC2)C1)C1=N[N-]N=N1	REAL000000001815	1	51	-1.0	-45.16	389.75	4.15	-41.01
CCCC(NC(=O)C1CCCN(C(=O)N2CCCC2)C1)C1=NNN=N1	REAL000000001815	1	52	0.0	-13.01	385.88	3.82	-9.19
CCCC(NC(=O)C1=C(Cl)C2=CC=CC=C2N1C)C1=NN=N[N-]1	REAL000000001816	0	39	-1.0	-43.53	348.40	5.56	-37.97
CCCC(NC(=O)C1=C(Cl)C2=CC=CC=C2N1C)C1=N[N-]N=N1	REAL000000001816	1	39	-1.0	-43.53	348.34	5.56	-37.97
CCCC(NC(=O)C1=C(Cl)C2=CC=CC=C2N1C)C1=NNN=N1	REAL000000001816	1	40	0.0	-10.76	351.77	5.57	-5.19
CCCC(NC(=O)C1=NN(C2=CC=CC([N+](=O)[O-])=C2)C=C1)C1=NN=N[N-]1	REAL000000001817	0	41	-1.0	-57.81	363.94	5.49	-52.31
CCCC(NC(=O)C1=NN(C2=CC=CC([N+](=O)[O-])=C2)C=C1)C1=N[N-]N=N1	REAL000000001817	1	41	-1.0	-57.81	363.88	5.48	-52.33
CCCC(NC(=O)C1=NN(C2=CC=CC([N+](=O)[O-])=C2)C=C1)C1=NNN=N1	REAL000000001817	1	42	0.0	-19.09	367.37	5.50	-13.59
CCCC(NC(=O)C1=CSC(C2=CC=C(C)O2)=N1)C1=NN=N[N-]1	REAL000000001818	0	38	-1.0	-49.91	346.07	3.33	-46.58
CCCC(NC(=O)C1=CSC(C2=CC=C(C)O2)=N1)C1=N[N-]N=N1	REAL000000001818	1	38	-1.0	-49.91	346.01	3.32	-46.59
CCCC(NC(=O)C1=CSC(C2=CC=C(C)O2)=N1)C1=NNN=N1	REAL000000001818	1	39	0.0	-11.01	342.27	3.00	-8.01
CCCC(NC(=O)CC1=CSC(CC2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL000000001819	0	44	-1.0	-55.89	385.81	5.97	-49.92
CCCC(NC(=O)CC1=CSC(CC2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL000000001819	1	44	-1.0	-55.89	385.75	5.96	-49.93
CCCC(NC(=O)CC1=CSC(CC2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000001819	1	45	0.0	-11.98	381.99	5.64	-6.33
CCCC(NC(=O)C1=C(C)C2=C(CCCC2=O)O1)C1=NN=N[N-]1	REAL000000001820	0	41	-1.0	-51.05	340.70	4.15	-46.91
CCCC(NC(=O)C1=C(C)C2=C(CCCC2=O)O1)C1=N[N-]N=N1	REAL000000001820	1	41	-1.0	-51.06	340.64	4.15	-46.91
CCCC(NC(=O)C1=C(C)C2=C(CCCC2=O)O1)C1=NNN=N1	REAL000000001820	1	42	0.0	-15.85	344.54	4.17	-11.68
CCCC(NC(=O)C1=C(C)N(C2=CC=C(F)C=C2F)N=C1)C1=NN=N[N-]1	REAL000000001821	0	42	-1.0	-46.67	364.99	5.46	-41.21
CCCC(NC(=O)C1=C(C)N(C2=CC=C(F)C=C2F)N=C1)C1=N[N-]N=N1	REAL000000001821	1	42	-1.0	-46.67	364.94	5.46	-41.22
CCCC(NC(=O)C1=C(C)N(C2=CC=C(F)C=C2F)N=C1)C1=NNN=N1	REAL000000001821	1	43	0.0	-13.29	368.41	5.47	-7.82
CCCC(NC(=O)C1=CC=CC(OCC2=CC=CS2)=C1)C1=NN=N[N-]1	REAL000000001822	0	43	-1.0	-50.90	375.83	6.01	-44.90
CCCC(NC(=O)C1=CC=CC(OCC2=CC=CS2)=C1)C1=N[N-]N=N1	REAL000000001822	1	43	-1.0	-50.90	375.77	6.00	-44.90
CCCC(NC(=O)C1=CC=CC(OCC2=CC=CS2)=C1)C1=NNN=N1	REAL000000001822	1	44	0.0	-10.92	372.01	5.69	-5.23
CCCC(NC(=O)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)C1=NN=N[N-]1	REAL000000001823	0	39	-2.0	-89.60	339.70	-1.09	-90.70
CCCC(NC(=O)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)C1=N[N-]N=N1	REAL000000001823	1	39	-2.0	-89.60	339.64	-1.10	-90.70
CCCC(NC(=O)C1=CSC(CC2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL000000001824	0	41	-1.0	-47.53	364.93	5.13	-42.40
CCCC(NC(=O)C1=CSC(CC2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL000000001824	1	41	-1.0	-47.53	364.88	5.12	-42.42
CCCC(NC(=O)C1=CSC(CC2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000001824	1	42	0.0	-9.09	361.12	4.80	-4.29
CCCC(NC(=O)C1=CC=CC(NC(=O)NC(C)C)=C1)C1=NN=N[N-]1	REAL000000001825	0	47	-1.0	-62.94	387.70	2.84	-60.10
CCCC(NC(=O)C1=CC=CC(NC(=O)NC(C)C)=C1)C1=N[N-]N=N1	REAL000000001825	1	47	-1.0	-62.95	387.64	2.84	-60.11
CCCC(NC(=O)C1=CC=CC(NC(=O)NC(C)C)=C1)C1=NNN=N1	REAL000000001825	1	48	0.0	-22.23	390.80	2.88	-19.35
CCCC(NC(=O)C1CC(=O)N(C(CC)CC)C1)C1=NN=N[N-]1	REAL000000001826	0	48	-1.0	-43.80	379.80	4.97	-38.82
CCCC(NC(=O)C1CC(=O)N(C(CC)CC)C1)C1=N[N-]N=N1	REAL000000001826	1	48	-1.0	-43.80	379.74	4.97	-38.83
CCCC(NC(=O)C1CC(=O)N(C(CC)CC)C1)C1=NNN=N1	REAL000000001826	1	49	0.0	-13.81	383.18	4.98	-8.82
CCCC(NC(=O)C1=CSC(C2=CC=CC(Cl)=C2)=N1)C1=NN=N[N-]1	REAL000000001827	0	38	-1.0	-48.17	358.35	4.97	-43.21
CCCC(NC(=O)C1=CSC(C2=CC=CC(Cl)=C2)=N1)C1=N[N-]N=N1	REAL000000001827	1	38	-1.0	-48.17	358.29	4.97	-43.21
CCCC(NC(=O)C1=CSC(C2=CC=CC(Cl)=C2)=N1)C1=NNN=N1	REAL000000001827	1	39	0.0	-9.26	354.53	4.64	-4.62
CCCC1=NOC2=NC(C3CC3)=CC(C(=O)NC(CCC)C3=NN=N[N-]3)=C12	REAL000000001828	0	49	-1.0	-43.64	397.01	4.30	-39.34
CCCC1=NOC2=NC(C3CC3)=CC(C(=O)NC(CCC)C3=N[N-]N=N3)=C12	REAL000000001828	1	49	-1.0	-43.64	396.95	4.29	-39.35
CCCC1=NOC2=NC(C3CC3)=CC(C(=O)NC(CCC)C3=NNN=N3)=C12	REAL000000001828	1	50	0.0	-14.49	400.38	4.30	-10.19
CCCC(NC(=O)C1=C2C(C(C)C)=NOC2=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL000000001829	0	49	-1.0	-43.10	392.14	4.08	-39.03
CCCC(NC(=O)C1=C2C(C(C)C)=NOC2=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL000000001829	1	49	-1.0	-43.09	392.08	4.08	-39.01
CCCC(NC(=O)C1=C2C(C(C)C)=NOC2=NC(C2CC2)=C1)C1=NNN=N1	REAL000000001829	1	50	0.0	-14.60	395.75	4.05	-10.55
CCCC(NC(=O)C1=C2C(CC(C)(C)C)=NOC2=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL000000001830	0	55	-1.0	-43.66	428.58	5.66	-37.99
CCCC(NC(=O)C1=C2C(CC(C)(C)C)=NOC2=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL000000001830	1	55	-1.0	-43.65	428.52	5.65	-37.99
CCCC(NC(=O)C1=C2C(CC(C)(C)C)=NOC2=NC(C2CC2)=C1)C1=NNN=N1	REAL000000001830	1	56	0.0	-13.57	431.96	5.67	-7.89
CCCC(NC(=O)C1CCCN(C(=O)NC2=CC=CC=C2F)C1)C1=NN=N[N-]1	REAL000000001831	0	51	-1.0	-48.51	410.48	5.43	-43.08
CCCC(NC(=O)C1CCCN(C(=O)NC2=CC=CC=C2F)C1)C1=N[N-]N=N1	REAL000000001831	1	51	-1.0	-48.51	410.42	5.42	-43.09
CCCC(NC(=O)C1CCCN(C(=O)NC2=CC=CC=C2F)C1)C1=NNN=N1	REAL000000001831	1	52	0.0	-12.95	413.85	5.44	-7.51
CCCC(NC(=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL000000001832	0	53	-1.0	-52.34	429.74	6.55	-45.80
CCCC(NC(=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL000000001832	1	53	-1.0	-52.33	429.68	6.54	-45.79
CCCC(NC(=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000001832	1	54	0.0	-16.23	433.11	6.56	-9.67
CCCC(NC(=O)CCNC(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000001833	0	46	-1.0	-51.65	392.37	3.04	-48.61
CCCC(NC(=O)CCNC(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000001833	1	46	-1.0	-51.65	392.31	3.03	-48.62
CCCC(NC(=O)CCNC(=O)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000001833	1	47	0.0	-17.37	395.74	3.05	-14.32
CCCC(NC(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL000000001834	0	45	-1.0	-47.62	372.67	5.59	-42.03
CCCC(NC(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL000000001834	1	45	-1.0	-47.61	372.61	5.59	-42.02
CCCC(NC(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000001834	1	46	0.0	-12.50	379.54	5.73	-6.77
CCCC(NC(=O)C1=CC=C(C(N)=S)C=C1)C1=NN=N[N-]1	REAL000000001835	0	36	-1.0	-52.81	321.99	2.88	-49.93
CCCC(NC(=O)C1=CC=C(C(N)=S)C=C1)C1=N[N-]N=N1	REAL000000001835	1	36	-1.0	-52.81	321.93	2.88	-49.93
CCCC(NC(=O)C1=CC=C(C(N)=S)C=C1)C1=NNN=N1	REAL000000001835	1	37	0.0	-17.16	318.22	2.56	-14.59
CCCC(NC(=O)C=CC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL000000001836	0	36	-1.0	-49.41	322.63	5.01	-44.40
CCCC(NC(=O)C=CC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL000000001836	1	36	-1.0	-49.41	322.58	5.00	-44.41
CCCC(NC(=O)C=CC1=C(F)C=CC=C1F)C1=NNN=N1	REAL000000001836	1	37	0.0	-12.28	325.97	5.02	-7.27
CCCC(NC(=O)C1=CC(F)=CC(Br)=C1)C1=NN=N[N-]1	REAL000000001837	0	32	-1.0	-42.14	302.06	4.33	-37.80
CCCC(NC(=O)C1=CC(F)=CC(Br)=C1)C1=N[N-]N=N1	REAL000000001837	1	32	-1.0	-42.14	302.00	4.32	-37.82
CCCC(NC(=O)C1=CC(F)=CC(Br)=C1)C1=NNN=N1	REAL000000001837	1	33	0.0	-9.15	305.44	4.34	-4.81
CCCC(NC(=O)CCOC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000001838	0	39	-1.0	-43.66	345.58	4.48	-39.18
CCCC(NC(=O)CCOC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000001838	1	39	-1.0	-43.66	345.52	4.48	-39.18
CCCC(NC(=O)CCOC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000001838	1	40	0.0	-10.35	348.96	4.49	-5.86
CCCC(NC(=O)C1=CC=C(CN2C=CN=C2)C=C1)C1=NN=N[N-]1	REAL000000001839	0	42	-1.0	-53.69	357.63	6.91	-46.79
CCCC(NC(=O)C1=CC=C(CN2C=CN=C2)C=C1)C1=N[N-]N=N1	REAL000000001839	1	42	-1.0	-53.69	357.57	6.90	-46.79
CCCC(NC(=O)C1=C(Br)C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL000000001840	0	36	-1.0	-46.51	326.49	4.21	-42.31
CCCC(NC(=O)C1=C(Br)C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL000000001840	1	36	-1.0	-46.51	326.43	4.20	-42.31
CCCC(NC(=O)C1=C(Br)C2=CC=CC=C2N1)C1=NNN=N1	REAL000000001840	1	37	0.0	-12.29	329.86	4.21	-8.08
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)C=C1F)C1=NN=N[N-]1	REAL000000001841	0	42	-1.0	-51.22	352.98	7.16	-44.06
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)C=C1F)C1=N[N-]N=N1	REAL000000001841	1	42	-1.0	-51.21	352.92	7.15	-44.06
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)C=C1F)C1=NNN=N1	REAL000000001841	1	43	0.0	-15.06	356.35	7.17	-7.89
CCCC(NC(=O)COCCOC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000001842	0	43	-1.0	-54.65	363.38	4.48	-50.17
CCCC(NC(=O)COCCOC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000001842	1	43	-1.0	-54.65	363.32	4.47	-50.18
CCCC(NC(=O)COCCOC1=CC=CC=C1)C1=NNN=N1	REAL000000001842	1	44	0.0	-17.00	366.75	4.49	-12.51
CCCC(NC(=O)COCC1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL000000001843	0	43	-1.0	-52.70	362.96	4.01	-48.70
CCCC(NC(=O)COCC1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL000000001843	1	43	-1.0	-52.70	362.91	4.00	-48.70
CCCC(NC(=O)COCC1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000001843	1	44	0.0	-16.21	366.34	4.02	-12.19
CCCC(NC(=O)C1=CN(C2=CC=C(C)C=C2)N=N1)C1=NN=N[N-]1	REAL000000001844	0	41	-1.0	-46.08	353.05	4.01	-42.07
CCCC(NC(=O)C1=CN(C2=CC=C(C)C=C2)N=N1)C1=N[N-]N=N1	REAL000000001844	1	41	-1.0	-46.08	352.99	4.01	-42.07
CCCC(NC(=O)C1=CN(C2=CC=C(C)C=C2)N=N1)C1=NNN=N1	REAL000000001844	1	42	0.0	-10.06	349.24	3.69	-6.37
CCCC(NC(=O)CS(=O)(=O)CCOC)C1=NN=N[N-]1	REAL000000001845	0	38	-1.0	-59.56	335.64	-1.70	-61.26
CCCC(NC(=O)CS(=O)(=O)CCOC)C1=N[N-]N=N1	REAL000000001845	1	38	-1.0	-59.55	335.58	-1.70	-61.26
CCCC(NC(=O)CS(=O)(=O)CCOC)C1=NNN=N1	REAL000000001845	1	39	0.0	-24.24	339.01	-1.68	-25.92
CCCC(NC(=O)C1CCCN(C2=NC3=CC=CC=C3S2)C1)C1=NN=N[N-]1	REAL000000001846	0	49	-1.0	-52.45	404.93	5.53	-46.92
CCCC(NC(=O)C1CCCN(C2=NC3=CC=CC=C3S2)C1)C1=N[N-]N=N1	REAL000000001846	1	49	-1.0	-52.45	404.87	5.52	-46.92
CCCC(NC(=O)C1CCCN(C2=NC3=CC=CC=C3S2)C1)C1=NNN=N1	REAL000000001846	1	50	0.0	-10.10	401.12	5.21	-4.89
CCCC(NC(=O)CC1=CC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL000000001847	0	41	-1.0	-60.97	349.34	3.37	-57.60
CCCC(NC(=O)CC1=CC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL000000001847	1	41	-1.0	-60.96	349.28	3.37	-57.59
CCCC(NC(=O)CC1=CC2=CC=CC=C2NC1=O)C1=NNN=N1	REAL000000001847	1	42	0.0	-15.11	345.54	3.05	-12.06
CCCC(NC(=O)C1=CN=C2C=C(C)C=CN2C1=O)C1=NN=N[N-]1	REAL000000001848	0	40	-1.0	-56.90	338.13	4.48	-52.42
CCCC(NC(=O)C1=CN=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL000000001849	0	38	-1.0	-46.27	341.15	4.55	-41.72
CCCC(NC(=O)C1=CN=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL000000001849	1	38	-1.0	-46.27	341.09	4.55	-41.72
CCCC(NC(=O)C1=CN=C(C2=CC=CC=C2)S1)C1=NNN=N1	REAL000000001849	1	39	0.0	-11.69	344.53	4.56	-7.13
CCCC(NC(=O)CCCN1C(=O)CCC1=O)C1=NN=N[N-]1	REAL000000001850	0	41	-1.0	-55.06	347.22	2.60	-52.46
CCCC(NC(=O)CCCN1C(=O)CCC1=O)C1=N[N-]N=N1	REAL000000001850	1	41	-1.0	-55.05	347.16	2.59	-52.46
CCCC(NC(=O)CCCN1C(=O)CCC1=O)C1=NNN=N1	REAL000000001850	1	42	0.0	-18.59	350.59	2.61	-15.97
CCCC(NC(=O)CCOC1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL000000001851	0	39	-1.0	-45.34	351.44	4.53	-40.81
CCCC(NC(=O)CCOC1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL000000001851	1	39	-1.0	-45.33	351.38	4.53	-40.80
CCCC(NC(=O)CCOC1=CC=C(F)C(Cl)=C1)C1=NNN=N1	REAL000000001851	1	40	0.0	-11.82	354.81	4.54	-7.28
CCCC(NC(=O)C1=C(C)OC(C2=CC=CS2)=N1)C1=NN=N[N-]1	REAL000000001852	0	38	-1.0	-46.24	343.55	1.86	-44.38
CCCC(NC(=O)C1=C(C)OC(C2=CC=CS2)=N1)C1=N[N-]N=N1	REAL000000001852	1	38	-1.0	-46.24	343.49	1.87	-44.37
CCCC(NC(=O)C1=C(C)OC(C2=CC=CS2)=N1)C1=NNN=N1	REAL000000001852	1	39	0.0	-10.24	346.92	1.87	-8.37
CCCC(NC(=O)C1CCN(C2=NC=CC=N2)CC1)C1=NN=N[N-]1	REAL000000001863	0	45	-1.0	-51.12	362.68	4.44	-46.68
CCCC(NC(=O)C1CCN(C2=NC=CC=N2)CC1)C1=N[N-]N=N1	REAL000000001863	1	45	-1.0	-51.12	362.62	4.44	-46.68
CCCC(NC(=O)C1CCN(C2=NC=CC=N2)CC1)C1=NNN=N1	REAL000000001863	1	46	0.0	-11.57	358.87	4.11	-7.46
CCCC(NC(=O)CCC(=O)C1=C2C=CC=CC2=CC=C1)C1=NN=N[N-]1	REAL000000001864	0	46	-1.0	-47.39	381.95	7.20	-40.19
CCCC(NC(=O)CCC(=O)C1=C2C=CC=CC2=CC=C1)C1=N[N-]N=N1	REAL000000001864	1	46	-1.0	-47.38	381.89	7.19	-40.19
CCCC(NC(=O)CCC(=O)C1=C2C=CC=CC2=CC=C1)C1=NNN=N1	REAL000000001864	1	47	0.0	-13.12	385.33	7.21	-5.91
CCCC(NC(=O)C1=CC=C(N2C=CN=C2)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000001865	0	41	-1.0	-50.30	360.37	6.80	-43.50
CCCC(NC(=O)C1=CC=C(N2C=CN=C2)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000001865	1	41	-1.0	-50.30	360.32	6.79	-43.51
CCCC(NC(=O)C1=CC=C(N2C=CN=C2)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000001865	1	42	0.0	-21.08	363.72	6.80	-14.28
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(C(C)C)=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000001866	0	55	-1.0	-49.19	441.15	9.52	-39.67
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(C(C)C)=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000001866	1	55	-1.0	-49.20	441.09	9.52	-39.67
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(C(C)C)=C2)C(C)=C1)C1=NNN=N1	REAL000000001866	1	56	0.0	-11.08	444.55	9.53	-1.55
CCCC(NC(=O)COC1=CC=C(Cl)C(CC)=C1)C1=NN=N[N-]1	REAL000000001867	0	42	-1.0	-47.57	363.38	6.02	-41.54
CCCC(NC(=O)COC1=CC=C(Cl)C(CC)=C1)C1=N[N-]N=N1	REAL000000001867	1	42	-1.0	-47.57	363.32	6.02	-41.54
CCCC(NC(=O)COC1=CC=C(Cl)C(CC)=C1)C1=NNN=N1	REAL000000001867	1	43	0.0	-13.73	366.75	6.03	-7.69
CCCC(NC(=O)C(C)OC1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL000000001868	0	46	-1.0	-50.38	370.06	6.76	-43.62
CCCC(NC(=O)C(C)OC1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL000000001868	1	46	-1.0	-50.38	370.01	6.75	-43.63
CCCC(NC(=O)C(C)OC1=CC=C2CCCC2=C1)C1=NNN=N1	REAL000000001868	1	47	0.0	-14.52	373.44	6.77	-7.75
CCCC(NC(=O)CCCC1=NC(C2=CC=C(F)C=C2)=NO1)C1=NN=N[N-]1	REAL000000001869	0	46	-1.0	-51.84	399.18	4.63	-47.21
CCCC(NC(=O)CCCC1=NC(C2=CC=C(F)C=C2)=NO1)C1=N[N-]N=N1	REAL000000001869	1	46	-1.0	-51.83	399.12	4.63	-47.20
CCCC(NC(=O)CCCC1=NC(C2=CC=C(F)C=C2)=NO1)C1=NNN=N1	REAL000000001869	1	47	0.0	-17.11	402.56	4.64	-12.47
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000001870	0	49	-1.0	-51.05	409.90	7.84	-43.20
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000001870	1	49	-1.0	-51.05	409.85	7.83	-43.22
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000001870	1	50	0.0	-10.53	406.10	7.52	-3.01
CCCC(NC(=O)C(C)OC1=CC=CC(Cl)=C1Cl)C1=NN=N[N-]1	REAL000000001871	0	39	-1.0	-51.87	356.54	5.80	-46.07
CCCC(NC(=O)C(C)OC1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL000000001871	1	39	-1.0	-51.86	356.48	5.79	-46.07
CCCC(NC(=O)C(C)OC1=CC=CC(Cl)=C1Cl)C1=NNN=N1	REAL000000001871	1	40	0.0	-17.05	359.12	5.86	-11.19
CCCC(NC(=O)C(C)OC1=CC=C(F)C=C1Br)C1=NN=N[N-]1	REAL000000001872	0	39	-1.0	-49.80	351.37	5.56	-44.24
CCCC(NC(=O)C(C)OC1=CC=C(F)C=C1Br)C1=N[N-]N=N1	REAL000000001872	1	39	-1.0	-49.80	351.31	5.55	-44.25
CCCC(NC(=O)C(C)OC1=CC=C(F)C=C1Br)C1=NNN=N1	REAL000000001872	1	40	0.0	-15.11	354.74	5.56	-9.55
CCCC(NC(=O)CCCC1=NC(C2=CC=CS2)=NO1)C1=NN=N[N-]1	REAL000000001873	0	43	-1.0	-54.14	383.68	3.57	-50.57
CCCC(NC(=O)CCCC1=NC(C2=CC=CS2)=NO1)C1=N[N-]N=N1	REAL000000001873	1	43	-1.0	-54.13	383.63	3.56	-50.57
CCCC(NC(=O)CCCC1=NC(C2=CC=CS2)=NO1)C1=NNN=N1	REAL000000001873	1	44	0.0	-18.52	387.06	3.58	-14.94
CCCC(NC(=O)C1=CC=CC(C)=C1I)C1=NN=N[N-]1	REAL000000001874	0	35	-1.0	-46.52	313.66	5.27	-41.24
CCCC(NC(=O)C1=CC=CC(C)=C1I)C1=N[N-]N=N1	REAL000000001874	1	35	-1.0	-46.51	313.60	5.26	-41.25
CCCC(NC(=O)C1=CC=CC(C)=C1I)C1=NNN=N1	REAL000000001874	1	36	0.0	-7.75	309.84	4.95	-2.80
CCCC(NC(=O)C=CC1=CC=C(S(=O)(=O)NC(C)C)C=C1)C1=NN=N[N-]1	REAL000000001875	0	50	-1.0	-49.89	425.68	2.51	-47.38
CCCC(NC(=O)C=CC1=CC=C(S(=O)(=O)NC(C)C)C=C1)C1=N[N-]N=N1	REAL000000001875	1	50	-1.0	-49.89	425.62	2.51	-47.38
CCCC(NC(=O)C=CC1=CC=C(S(=O)(=O)NC(C)C)C=C1)C1=NNN=N1	REAL000000001875	1	51	0.0	-17.09	429.05	2.52	-14.58
CCCC(NC(=O)C=CC1=CC=C(S(=O)(=O)NC2CC2)C=C1)C1=NN=N[N-]1	REAL000000001876	0	48	-1.0	-50.11	417.84	2.69	-47.42
CCCC(NC(=O)C=CC1=CC=C(S(=O)(=O)NC2CC2)C=C1)C1=N[N-]N=N1	REAL000000001876	1	48	-1.0	-50.10	417.78	2.69	-47.41
CCCC(NC(=O)C=CC1=CC=C(S(=O)(=O)NC2CC2)C=C1)C1=NNN=N1	REAL000000001876	1	49	0.0	-17.20	421.22	2.70	-14.51
CCCNS(=O)(=O)C1=CC=C(C=CC(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000001877	0	50	-1.0	-49.92	427.98	2.63	-47.28
CCCNS(=O)(=O)C1=CC=C(C=CC(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000001877	1	50	-1.0	-49.91	427.92	2.62	-47.29
CCCNS(=O)(=O)C1=CC=C(C=CC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000001877	1	51	0.0	-14.01	424.15	2.31	-11.70
CCCC(NC(=O)C1=CC2=C(OC)C=C(OC)C(OC)=C2N1)C1=NN=N[N-]1	REAL000000001878	0	48	-1.0	-49.56	400.26	2.22	-47.34
CCCC(NC(=O)C1=CC2=C(OC)C=C(OC)C(OC)=C2N1)C1=N[N-]N=N1	REAL000000001878	1	48	-1.0	-49.55	400.20	2.22	-47.33
CCCC(NC(=O)C1=CC2=C(OC)C=C(OC)C(OC)=C2N1)C1=NNN=N1	REAL000000001878	1	49	0.0	-14.31	403.64	2.22	-12.08
CCCC(NC(=O)C1=CC=C(F)C=C1I)C1=NN=N[N-]1	REAL000000001879	0	32	-1.0	-42.98	302.49	4.80	-38.19
CCCC(NC(=O)C1=CC=C(F)C=C1I)C1=N[N-]N=N1	REAL000000001879	1	32	-1.0	-42.98	302.43	4.79	-38.19
CCCC(NC(=O)C1=CC=C(F)C=C1I)C1=NNN=N1	REAL000000001879	1	33	0.0	-6.94	298.68	4.47	-2.47
CCCC(NC(=O)C(C)OCC1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL000000001880	0	46	-1.0	-53.90	382.75	4.71	-49.18
CCCC(NC(=O)C(C)OCC1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL000000001880	1	46	-1.0	-53.89	382.69	4.71	-49.18
CCCC(NC(=O)C(C)OCC1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000001880	1	47	0.0	-16.37	386.13	4.72	-11.65
CCCC(NC(=O)CCCC1=NN=C(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL000000001881	0	46	-1.0	-55.85	393.42	1.87	-53.97
CCCC(NC(=O)CCCC1=NN=C(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL000000001881	1	46	-1.0	-55.84	393.36	1.87	-53.97
CCCC(NC(=O)CCCC1=NN=C(C2=CC=CC=C2)O1)C1=NNN=N1	REAL000000001881	1	47	0.0	-19.41	396.79	1.88	-17.53
CCCC(NC(=O)C1=C(C)N=C(C(C)C)S1)C1=NN=N[N-]1	REAL000000001882	0	40	-1.0	-44.41	342.74	3.50	-40.91
CCCC(NC(=O)C1=C(C)N=C(C(C)C)S1)C1=N[N-]N=N1	REAL000000001882	1	40	-1.0	-44.41	342.68	3.49	-40.92
CCCC(NC(=O)C1=C(C)N=C(C(C)C)S1)C1=NNN=N1	REAL000000001882	1	41	0.0	-9.87	346.11	3.51	-6.36
CCCC1=NC(C)=C(C(=O)NC(CCC)C2=NN=N[N-]2)S1	REAL000000001883	0	40	-1.0	-44.31	343.46	3.68	-40.63
CCCC1=NC(C)=C(C(=O)NC(CCC)C2=N[N-]N=N2)S1	REAL000000001883	1	40	-1.0	-44.30	343.40	3.67	-40.63
CCCC1=NC(C)=C(C(=O)NC(CCC)C2=NNN=N2)S1	REAL000000001883	1	41	0.0	-9.94	346.84	3.69	-6.25
CCCC(NC(=O)CCCC1=NC=C(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL000000001884	0	47	-1.0	-53.35	397.07	4.39	-48.97
CCCC(NC(=O)CCCC1=NC=C(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL000000001884	1	47	-1.0	-53.35	397.01	4.38	-48.97
CCCC(NC(=O)CCCC1=NC=C(C2=CC=CC=C2)O1)C1=NNN=N1	REAL000000001884	1	48	0.0	-17.30	400.44	4.39	-12.90
CCCC(NC(=O)C1=CC=C(OCC2=CC=CC=C2C#N)C=C1)C1=NN=N[N-]1	REAL000000001885	0	47	-1.0	-49.45	402.96	7.37	-42.08
CCCC(NC(=O)C1=CC=C(OCC2=CC=CC=C2C#N)C=C1)C1=N[N-]N=N1	REAL000000001885	1	47	-1.0	-49.45	402.91	7.37	-42.09
CCCC(NC(=O)C1=CC=C(OCC2=CC=CC=C2C#N)C=C1)C1=NNN=N1	REAL000000001885	1	48	0.0	-13.61	406.41	7.37	-6.24
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)C2=CC=CC=C2F)=C1)C1=NN=N[N-]1	REAL000000001886	0	49	-1.0	-67.50	408.45	6.61	-60.89
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)C2=CC=CC=C2F)=C1)C1=N[N-]N=N1	REAL000000001886	1	49	-1.0	-67.50	408.39	6.61	-60.89
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)C2=CC=CC=C2F)=C1)C1=NNN=N1	REAL000000001886	1	50	0.0	-27.50	412.82	6.66	-20.83
CCCC(NC(=O)C1=CC=C(N2CCOC2=O)C=C1)C1=NN=N[N-]1	REAL000000001887	0	41	-1.0	-52.79	342.89	3.74	-49.05
CCCC(NC(=O)C1=CC=C(N2CCOC2=O)C=C1)C1=N[N-]N=N1	REAL000000001887	1	41	-1.0	-52.79	342.83	3.73	-49.06
CCCC(NC(=O)C1=CC=C(N2CCOC2=O)C=C1)C1=NNN=N1	REAL000000001887	1	42	0.0	-22.27	346.27	3.75	-18.52
CCCC(NC(=O)C1=CN(C2=CC=C([N+](=O)[O-])C=C2)N=C1)C1=NN=N[N-]1	REAL000000001888	0	41	-1.0	-46.77	363.52	5.46	-41.31
CCCC(NC(=O)C1=CN(C2=CC=C([N+](=O)[O-])C=C2)N=C1)C1=N[N-]N=N1	REAL000000001888	1	41	-1.0	-46.76	363.47	5.46	-41.30
CCCC(NC(=O)C1=CN(C2=CC=C([N+](=O)[O-])C=C2)N=C1)C1=NNN=N1	REAL000000001888	1	42	0.0	-15.10	366.90	5.47	-9.63
CCCC(NC(=O)C1=CC=CC(N2CCNC2=O)=C1)C1=NN=N[N-]1	REAL000000001889	0	42	-1.0	-65.77	346.80	2.39	-63.38
CCCC(NC(=O)C1=CC=CC(N2CCNC2=O)=C1)C1=N[N-]N=N1	REAL000000001889	1	42	-1.0	-65.77	346.75	2.38	-63.39
CCCC(NC(=O)C1=CC=CC(N2CCNC2=O)=C1)C1=NNN=N1	REAL000000001889	1	43	0.0	-21.12	342.99	2.07	-19.05
CCCC(NC(=O)C1=CC=C(N2CCC(C)=N2)C=C1)C1=NN=N[N-]1	REAL000000001890	0	44	-1.0	-52.35	364.39	5.10	-47.25
CCCC(NC(=O)C1=CC=C(N2CCC(C)=N2)C=C1)C1=N[N-]N=N1	REAL000000001890	1	44	-1.0	-52.35	364.33	5.10	-47.25
CCCC(NC(=O)C1=CC=C(N2CCC(C)=N2)C=C1)C1=NNN=N1	REAL000000001890	1	45	0.0	-13.74	367.77	5.11	-8.63
CCCC(NC(=O)C1=CC=C(NC(=O)C2=CNC(=O)C=C2)C=C1)C1=NN=N[N-]1	REAL000000001891	0	46	-1.0	-58.09	390.61	2.62	-55.47
CCCC(NC(=O)C1=CC=C(NC(=O)C2=CNC(=O)C=C2)C=C1)C1=N[N-]N=N1	REAL000000001891	1	46	-1.0	-58.08	390.55	2.61	-55.48
CCCC(NC(=O)C1=CC=C(NC(=O)C2=CNC(=O)C=C2)C=C1)C1=NNN=N1	REAL000000001891	1	47	0.0	-22.93	394.29	2.61	-20.32
CCCC(NC(=O)C1=CC=C(OC(C)C)N=C1)C1=NN=N[N-]1	REAL000000001892	0	41	-1.0	-44.22	343.46	2.23	-41.99
CCCC(NC(=O)C1=CC=C(OC(C)C)N=C1)C1=N[N-]N=N1	REAL000000001892	1	41	-1.0	-44.22	343.40	2.22	-42.00
CCCC(NC(=O)C1=CC=C(OC(C)C)N=C1)C1=NNN=N1	REAL000000001892	1	42	0.0	-10.55	346.83	2.24	-8.31
CCCC(NC(=O)CC1=NN2C=CC=NC2=N1)C1=NN=N[N-]1	REAL000000001893	0	36	-1.0	-61.33	316.19	4.25	-57.09
CCCC(NC(=O)CC1=NN2C=CC=NC2=N1)C1=N[N-]N=N1	REAL000000001893	1	36	-1.0	-61.35	316.14	4.23	-57.11
CCCC(NC(=O)CC1=NN2C=CC=NC2=N1)C1=NNN=N1	REAL000000001893	1	37	0.0	-21.72	312.38	3.92	-17.80
CCCC(NC(=O)C1=CNC2=NC(=O)[N-]C(=O)C2=C1)C1=NN=N[N-]1	REAL000000001894	0	36	-2.0	-102.98	321.53	-3.38	-106.36
CCCC(NC(=O)C1=CNC2=NC(=O)[N-]C(=O)C2=C1)C1=N[N-]N=N1	REAL000000001894	1	36	-2.0	-102.97	321.47	-3.38	-106.35
CCCC(NC(=O)C1=CNC2=NC(=O)[N-]C(=O)C2=C1)C1=NNN=N1	REAL000000001894	1	37	-1.0	-63.51	317.71	-3.70	-67.21
CCCC(NC(=O)CCS(=O)(=O)CC(C)C)C1=NN=N[N-]1	REAL000000001895	0	43	-1.0	-49.07	360.82	1.37	-47.70
CCCC(NC(=O)CCS(=O)(=O)CC(C)C)C1=N[N-]N=N1	REAL000000001895	1	43	-1.0	-49.07	360.76	1.37	-47.70
CCCC(NC(=O)CCS(=O)(=O)CC(C)C)C1=NNN=N1	REAL000000001895	1	44	0.0	-13.62	357.02	1.05	-12.57
CCCC(NC(=O)C1=CC(Cl)=C(Br)N1)C1=NN=N[N-]1	REAL000000001896	0	30	-1.0	-41.82	299.79	2.42	-39.39
CCCC(NC(=O)C1=CC(Cl)=C(Br)N1)C1=N[N-]N=N1	REAL000000001896	1	30	-1.0	-41.81	299.73	2.43	-39.39
CCCC(NC(=O)C1=CC(Cl)=C(Br)N1)C1=NNN=N1	REAL000000001896	1	31	0.0	-9.63	303.17	2.43	-7.19
C=CCNS(=O)(=O)C1=CC(C(=O)NC(CCC)C2=NN=N[N-]2)=CC=C1F	REAL000000001897	0	44	-1.0	-52.43	382.98	0.98	-51.45
C=CCNS(=O)(=O)C1=CC(C(=O)NC(CCC)C2=N[N-]N=N2)=CC=C1F	REAL000000001897	1	44	-1.0	-52.43	382.92	0.97	-51.46
C=CCNS(=O)(=O)C1=CC(C(=O)NC(CCC)C2=NNN=N2)=CC=C1F	REAL000000001897	1	45	0.0	-14.61	379.17	0.66	-13.95
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL000000001898	0	38	-1.0	-42.75	333.02	4.64	-38.11
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL000000001898	1	38	-1.0	-42.74	332.97	4.63	-38.11
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=NO1)C1=NNN=N1	REAL000000001898	1	39	0.0	-8.24	329.21	4.31	-3.93
CCCC(NC(=O)CC1=CC=C(OC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000001899	0	39	-1.0	-45.17	344.98	4.11	-41.06
CCCC(NC(=O)CC1=CC=C(OC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000001899	1	39	-1.0	-45.16	344.92	4.10	-41.06
CCCC(NC(=O)CC1=CC=C(OC(F)(F)F)C=C1)C1=NNN=N1	REAL000000001899	1	40	0.0	-12.45	348.35	4.11	-8.34
CCCC(NC(=O)C1=CC=C(N(C)C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL000000001900	0	46	-1.0	-46.40	382.68	6.08	-40.31
CCCC(NC(=O)C1=CC=C(N(C)C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL000000001900	1	46	-1.0	-46.40	382.63	6.07	-40.32
CCCC(NC(=O)C1=CC=C(N(C)C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000001900	1	47	0.0	-11.49	388.18	6.99	-4.50
CCCC(NC(=O)CC1=C(C)N(C2=CC=C(F)C=C2)N=C1C)C1=NN=N[N-]1	REAL000000001901	0	48	-1.0	-52.34	402.79	6.53	-45.82
CCCC(NC(=O)CC1=C(C)N(C2=CC=C(F)C=C2)N=C1C)C1=N[N-]N=N1	REAL000000001901	1	48	-1.0	-52.33	402.73	6.53	-45.81
CCCC(NC(=O)CC1=C(C)N(C2=CC=C(F)C=C2)N=C1C)C1=NNN=N1	REAL000000001901	1	49	0.0	-17.08	406.17	6.54	-10.54
CCCC(NC(=O)CSCC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL000000001902	0	40	-1.0	-49.71	364.26	6.08	-43.62
CCCC(NC(=O)CSCC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL000000001902	1	40	-1.0	-49.71	364.20	6.07	-43.63
CCCC(NC(=O)CSCC1=CC=C(C#N)C=C1)C1=NNN=N1	REAL000000001902	1	41	0.0	-13.21	360.46	5.76	-7.45
CCCC(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)NC1=O)C1=NN=N[N-]1	REAL000000001903	0	46	-1.0	-60.95	388.25	2.98	-57.97
CCCC(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)NC1=O)C1=N[N-]N=N1	REAL000000001903	1	46	-1.0	-60.95	388.19	2.98	-57.97
CCCC(NC(=O)C1=C2C(C)=NN(C(C)(C)C)C2=NC(C(C)C)=C1)C1=NN=N[N-]1	REAL000000001904	0	58	-1.0	-48.60	453.72	7.12	-41.48
CCCC(NC(=O)C1=C2C(C)=NN(C(C)(C)C)C2=NC(C(C)C)=C1)C1=N[N-]N=N1	REAL000000001904	1	58	-1.0	-48.60	453.66	7.11	-41.48
CCCC(NC(=O)C1=C2C(C)=NN(C(C)(C)C)C2=NC(C(C)C)=C1)C1=NNN=N1	REAL000000001904	1	59	0.0	-10.00	445.68	6.95	-3.05
CCCC(NC(=O)C1=CC=C(OC)C(OC(F)F)=C1)C1=NN=N[N-]1	REAL000000001905	0	40	-1.0	-53.34	342.73	3.16	-50.18
CCCC(NC(=O)C1=CC=C(OC)C(OC(F)F)=C1)C1=N[N-]N=N1	REAL000000001905	1	40	-1.0	-53.33	342.67	3.16	-50.17
CCCC(NC(=O)C1=CC=C(OC)C(OC(F)F)=C1)C1=NNN=N1	REAL000000001905	1	41	0.0	-17.44	346.11	3.17	-14.27
CCCC(NC(=O)C1=CC=CC(N2CCOC2=O)=C1)C1=NN=N[N-]1	REAL000000001906	0	41	-1.0	-66.55	343.02	3.73	-62.82
CCCC(NC(=O)C1=CC=CC(N2CCOC2=O)=C1)C1=N[N-]N=N1	REAL000000001906	1	41	-1.0	-66.55	342.96	3.72	-62.83
CCCC(NC(=O)C1=CC=CC(N2CCOC2=O)=C1)C1=NNN=N1	REAL000000001906	1	42	0.0	-22.06	339.27	3.40	-18.66
CCCC(NC(=O)C1=C(C)N(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL000000001907	0	44	-1.0	-47.33	347.86	3.67	-43.66
CCCC(NC(=O)C1=C(C)N(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL000000001907	1	44	-1.0	-47.33	347.81	3.66	-43.67
CCCC(NC(=O)C1=C(C)N(C(C)(C)C)N=C1)C1=NNN=N1	REAL000000001907	1	45	0.0	-11.61	351.24	3.68	-7.93
CCCC(NC(=O)C1=CC=C(N2C=CC(C)=N2)C=C1)C1=NN=N[N-]1	REAL000000001908	0	42	-1.0	-50.71	354.56	5.44	-45.27
CCCC(NC(=O)C1=CC=C(N2C=CC(C)=N2)C=C1)C1=N[N-]N=N1	REAL000000001908	1	42	-1.0	-50.70	354.50	5.43	-45.27
CCCC(NC(=O)C1=CC=C(N2C=CC(C)=N2)C=C1)C1=NNN=N1	REAL000000001908	1	43	0.0	-16.29	357.94	5.45	-10.85
CCCC(NC(=O)CC1=CC=C(N2N=C(C)C=C2C)C=C1)C1=NN=N[N-]1	REAL000000001909	0	48	-1.0	-54.28	398.11	6.52	-47.76
CCCC(NC(=O)CC1=CC=C(N2N=C(C)C=C2C)C=C1)C1=N[N-]N=N1	REAL000000001909	1	48	-1.0	-54.28	398.05	6.52	-47.76
CCCC(NC(=O)CC1=CC=C(N2N=C(C)C=C2C)C=C1)C1=NNN=N1	REAL000000001909	1	49	0.0	-17.78	401.48	6.53	-11.24
CCCC(NC(=O)CS(=O)(=O)C1CCCC1)C1=NN=N[N-]1	REAL000000001910	0	41	-1.0	-61.95	343.90	1.19	-60.76
CCCC(NC(=O)CS(=O)(=O)C1CCCC1)C1=N[N-]N=N1	REAL000000001910	1	41	-1.0	-61.95	343.84	1.18	-60.78
CCCC(NC(=O)CS(=O)(=O)C1CCCC1)C1=NNN=N1	REAL000000001910	1	42	0.0	-20.99	340.13	0.86	-20.13
CCCC(NC(=O)C1=CC2=CC=CC(OCC)=C2OC1)C1=NN=N[N-]1	REAL000000001911	0	45	-1.0	-49.85	371.34	4.95	-44.90
CCCC(NC(=O)C1=CC2=CC=CC(OCC)=C2OC1)C1=N[N-]N=N1	REAL000000001911	1	45	-1.0	-49.85	371.28	4.94	-44.91
CCCC(NC(=O)C1=CC2=CC=CC(OCC)=C2OC1)C1=NNN=N1	REAL000000001911	1	46	0.0	-13.58	374.74	4.96	-8.62
CCCC(NC(=O)CN1C(=O)SC(C)=C1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000001912	0	45	-1.0	-55.45	391.04	5.75	-49.70
CCCC(NC(=O)CN1C(=O)SC(C)=C1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000001912	1	45	-1.0	-55.44	390.98	5.75	-49.69
CCCC(NC(=O)CN1C(=O)SC(C)=C1C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000001912	1	46	0.0	-16.96	394.13	5.75	-11.22
CCCC(NC(=O)C1=CC(C2=CC=CC=C2OC)=NN1)C1=NN=N[N-]1	REAL000000001913	0	43	-1.0	-47.44	363.08	3.28	-44.16
CCCC(NC(=O)C1=CC(C2=CC=CC=C2OC)=NN1)C1=N[N-]N=N1	REAL000000001913	1	43	-1.0	-47.43	363.02	3.28	-44.16
CCCC(NC(=O)C1=CC(C2=CC=CC=C2OC)=NN1)C1=NNN=N1	REAL000000001913	1	44	0.0	-11.21	359.26	2.96	-8.25
CCCC(NC(=O)C1=CC(C2=CC=C(OC)C=C2OC)=NN1)C1=NN=N[N-]1	REAL000000001914	0	47	-1.0	-47.53	392.50	2.59	-44.94
CCCC(NC(=O)C1=CC(C2=CC=C(OC)C=C2OC)=NN1)C1=N[N-]N=N1	REAL000000001914	1	47	-1.0	-47.53	392.45	2.58	-44.95
CCCC(NC(=O)C1=CC(C2=CC=C(OC)C=C2OC)=NN1)C1=NNN=N1	REAL000000001914	1	48	0.0	-14.61	395.88	2.60	-12.01
CCCC(NC(=O)C1=CC(C2=CC=CS2)=NN1)C1=NN=N[N-]1	REAL000000001915	0	36	-1.0	-44.70	328.04	2.81	-41.89
CCCC(NC(=O)C1=CC(C2=CC=CS2)=NN1)C1=N[N-]N=N1	REAL000000001915	1	36	-1.0	-44.70	327.98	2.80	-41.90
CCCC(NC(=O)C1=CC(C2=CC=CS2)=NN1)C1=NNN=N1	REAL000000001915	1	37	0.0	-11.92	331.42	2.82	-9.10
CCCC(NC(=O)CCCOC1=CC=C(C#N)C=C1OC)C1=NN=N[N-]1	REAL000000001916	0	47	-1.0	-52.88	400.38	5.06	-47.82
CCCC(NC(=O)CCCOC1=CC=C(C#N)C=C1OC)C1=N[N-]N=N1	REAL000000001916	1	47	-1.0	-52.88	400.32	5.05	-47.83
CCCC(NC(=O)CCCOC1=CC=C(C#N)C=C1OC)C1=NNN=N1	REAL000000001916	1	48	0.0	-18.60	403.76	5.07	-13.53
CCCC(NC(=O)C1=C(C)C(C(=O)OCCOC)=C(C)N1)C1=NN=N[N-]1	REAL000000001917	0	49	-1.0	-50.56	412.69	3.52	-47.04
CCCC(NC(=O)C1=C(C)C(C(=O)OCCOC)=C(C)N1)C1=N[N-]N=N1	REAL000000001917	1	49	-1.0	-50.56	412.63	3.52	-47.04
CCCC(NC(=O)C1=C(C)C(C(=O)OCCOC)=C(C)N1)C1=NNN=N1	REAL000000001917	1	50	0.0	-16.35	416.07	3.53	-12.82
CCCC(NC(=O)C(C)NC(=O)C1=CC=CC(Cl)=C1Cl)C1=NN=N[N-]1	REAL000000001918	0	42	-1.0	-43.61	380.59	3.98	-39.63
CCCC(NC(=O)C(C)NC(=O)C1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL000000001918	1	42	-1.0	-43.60	380.53	3.98	-39.62
CCCC(NC(=O)C(C)NC(=O)C1=CC=CC(Cl)=C1Cl)C1=NNN=N1	REAL000000001918	1	43	0.0	-11.95	376.77	3.67	-8.28
CCCC(NC(=O)C1=CC2=CC([N+](=O)[O-])=CC=C2O1)C1=NN=N[N-]1	REAL000000001919	0	37	-1.0	-43.33	333.69	4.70	-38.63
CCCC(NC(=O)C1=CC2=CC([N+](=O)[O-])=CC=C2O1)C1=N[N-]N=N1	REAL000000001919	1	37	-1.0	-43.33	333.63	4.69	-38.64
CCCC(NC(=O)C1=CC2=CC([N+](=O)[O-])=CC=C2O1)C1=NNN=N1	REAL000000001919	1	38	0.0	-11.56	337.07	4.71	-6.84
CCCC(NC(=O)C(CC)OC1=CC=CC=C1C)C1=NN=N[N-]1	REAL000000001920	0	45	-1.0	-49.71	359.69	6.15	-43.56
CCCC(NC(=O)C(CC)OC1=CC=CC=C1C)C1=N[N-]N=N1	REAL000000001920	1	45	-1.0	-49.70	359.63	6.15	-43.56
CCCC(NC(=O)C(CC)OC1=CC=CC=C1C)C1=NNN=N1	REAL000000001920	1	46	0.0	-13.52	363.07	6.16	-7.36
CCCC(NC(=O)C1=CC(C2=CC=C3OCOC3=C2)=NN1)C1=NN=N[N-]1	REAL000000001921	0	42	-1.0	-45.99	361.90	2.34	-43.65
CCCC(NC(=O)C1=CC(C2=CC=C3OCOC3=C2)=NN1)C1=N[N-]N=N1	REAL000000001921	1	42	-1.0	-45.98	361.84	2.34	-43.65
CCCC(NC(=O)C1=CC(C2=CC=C3OCOC3=C2)=NN1)C1=NNN=N1	REAL000000001921	1	43	0.0	-11.72	358.10	2.02	-9.70
CCCC(NC(=O)C1=CC(C2=CC=CC=C2OCC)=NN1)C1=NN=N[N-]1	REAL000000001922	0	46	-1.0	-47.39	384.94	4.21	-43.18
CCCC(NC(=O)C1=CC(C2=CC=CC=C2OCC)=NN1)C1=N[N-]N=N1	REAL000000001922	1	46	-1.0	-47.38	384.88	4.21	-43.18
CCCC(NC(=O)C1=CC(C2=CC=CC=C2OCC)=NN1)C1=NNN=N1	REAL000000001922	1	47	0.0	-11.03	381.14	3.89	-7.14
CCCC(NC(=O)CC1=CC=C(N2C=CC=N2)C=C1)C1=NN=N[N-]1	REAL000000001923	0	42	-1.0	-52.67	357.34	5.52	-47.16
CCCC(NC(=O)CC1=CC=C(N2C=CC=N2)C=C1)C1=N[N-]N=N1	REAL000000001923	1	42	-1.0	-52.67	357.28	5.51	-47.16
CCCC(NC(=O)CC1=CC=C(N2C=CC=N2)C=C1)C1=NNN=N1	REAL000000001923	1	43	0.0	-17.28	360.71	5.53	-11.75
CCCC(NC(=O)CCCOC1=C2C=CC=CC2=CC=C1)C1=NN=N[N-]1	REAL000000001924	0	48	-1.0	-50.94	395.38	7.04	-43.90
CCCC(NC(=O)CCCOC1=C2C=CC=CC2=CC=C1)C1=N[N-]N=N1	REAL000000001924	1	48	-1.0	-50.94	395.33	7.04	-43.90
CCCC(NC(=O)CCCOC1=C2C=CC=CC2=CC=C1)C1=NNN=N1	REAL000000001924	1	49	0.0	-15.42	398.76	7.06	-8.36
CCCC(NC(=O)C1=C2C(C)=NN(C(C)(C)C)C2=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL000000001925	0	56	-1.0	-46.88	439.09	7.48	-39.40
CCCC(NC(=O)C1=C2C(C)=NN(C(C)(C)C)C2=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL000000001925	1	56	-1.0	-46.88	439.03	7.48	-39.40
CCCC(NC(=O)C1=C2C(C)=NN(C(C)(C)C)C2=NC(C2CC2)=C1)C1=NNN=N1	REAL000000001925	1	57	0.0	-13.53	442.46	7.48	-6.04
CCCC(NC(=O)CN1C=CC2=CC(OC)=CC=C21)C1=NN=N[N-]1	REAL000000001926	0	43	-1.0	-50.03	361.69	5.09	-44.95
CCCC(NC(=O)CN1C=CC2=CC(OC)=CC=C21)C1=N[N-]N=N1	REAL000000001926	1	43	-1.0	-50.02	361.63	5.08	-44.95
CCCC(NC(=O)CN1C=CC2=CC(OC)=CC=C21)C1=NNN=N1	REAL000000001926	1	44	0.0	-17.31	365.07	5.10	-12.21
CCCC(NC(=O)C1=CC2=C(Cl)C(Cl)=CC=C2N1)C1=NN=N[N-]1	REAL000000001927	0	36	-1.0	-45.94	339.87	4.54	-41.40
CCCC(NC(=O)C1=CC2=C(Cl)C(Cl)=CC=C2N1)C1=N[N-]N=N1	REAL000000001927	1	36	-1.0	-45.93	339.81	4.54	-41.39
CCCC(NC(=O)C1=CC2=C(Cl)C(Cl)=CC=C2N1)C1=NNN=N1	REAL000000001927	1	37	0.0	-13.09	343.25	4.55	-8.54
CCCC(NC(=O)C1=CC=C(OC(C)C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL000000001928	0	48	-1.0	-45.07	402.33	5.26	-39.81
CCCC(NC(=O)C1=CC=C(OC(C)C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL000000001928	1	48	-1.0	-45.07	402.27	5.25	-39.82
CCCC(NC(=O)C1=CC=C(OC(C)C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000001928	1	49	0.0	-11.44	405.71	5.27	-6.16
CCCC(NC(=O)CC1=CSC(N2C(C)=CC=C2C)=N1)C1=NN=N[N-]1	REAL000000001929	0	45	-1.0	-57.57	380.91	6.71	-50.86
CCCC(NC(=O)CC1=CSC(N2C(C)=CC=C2C)=N1)C1=N[N-]N=N1	REAL000000001929	1	45	-1.0	-57.57	380.85	6.71	-50.86
CCCC(NC(=O)CC1=CSC(N2C(C)=CC=C2C)=N1)C1=NNN=N1	REAL000000001929	1	46	0.0	-16.51	384.33	6.71	-9.80
CCCC(NC(=O)CCSC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL000000001930	0	39	-1.0	-44.71	358.37	6.15	-38.57
CCCC(NC(=O)CCSC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL000000001930	1	39	-1.0	-44.71	358.31	6.15	-38.56
CCCC(NC(=O)CCSC1=CC=CC=C1Br)C1=NNN=N1	REAL000000001930	1	40	0.0	-10.92	361.75	6.16	-4.76
CCCC(NC(=O)CCCOC1=CC=C(C(C)=O)C=C1OC)C1=NN=N[N-]1	REAL000000001931	0	51	-1.0	-57.00	422.22	5.16	-51.84
CCCC(NC(=O)CCCOC1=CC=C(C(C)=O)C=C1OC)C1=N[N-]N=N1	REAL000000001931	1	51	-1.0	-56.99	422.16	5.16	-51.83
CCCC(NC(=O)CCCOC1=CC=C(C(C)=O)C=C1OC)C1=NNN=N1	REAL000000001931	1	52	0.0	-22.35	425.60	5.17	-17.18
CCCC(NC(=O)C1=CC=C(C)C(NC(C)=O)=C1)C1=NN=N[N-]1	REAL000000001932	0	42	-1.0	-62.00	349.20	3.46	-58.54
CCCC(NC(=O)C1=CC=C(C)C(NC(C)=O)=C1)C1=N[N-]N=N1	REAL000000001932	1	42	-1.0	-62.00	349.14	3.45	-58.55
CCCC(NC(=O)C1=CC=C(C)C(NC(C)=O)=C1)C1=NNN=N1	REAL000000001932	1	43	0.0	-21.63	352.58	3.47	-18.16
CCCC(NC(=O)C1=NN(C(C)(C)C)C(C)=C1)C1=NN=N[N-]1	REAL000000001933	0	44	-1.0	-50.85	351.67	3.69	-47.16
CCCC(NC(=O)C1=NN(C(C)(C)C)C(C)=C1)C1=N[N-]N=N1	REAL000000001933	1	44	-1.0	-50.85	351.61	3.69	-47.16
CCCC(NC(=O)C1=NN(C(C)(C)C)C(C)=C1)C1=NNN=N1	REAL000000001933	1	45	0.0	-12.41	355.05	3.70	-8.71
CCCC(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)NC1=O)C1=NN=N[N-]1	REAL000000001934	0	46	-1.0	-51.71	387.52	2.94	-48.77
CCCC(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)NC1=O)C1=N[N-]N=N1	REAL000000001934	1	46	-1.0	-51.70	387.47	2.93	-48.77
CCCC(NC(=O)CC1=CSC(NC(=O)C2=C(C)OC=C2)=N1)C1=NN=N[N-]1	REAL000000001935	0	45	-1.0	-54.53	396.12	3.36	-51.17
CCCC(NC(=O)CC1=CSC(NC(=O)C2=C(C)OC=C2)=N1)C1=N[N-]N=N1	REAL000000001935	1	45	-1.0	-54.53	396.06	3.35	-51.18
CCCC(NC(=O)CC1=CSC(NC(=O)C2=C(C)OC=C2)=N1)C1=NNN=N1	REAL000000001935	1	46	0.0	-14.83	392.31	3.04	-11.79
CCCC(NC(=O)CS(=O)(=O)CC(C)C)C1=NN=N[N-]1	REAL000000001936	0	40	-1.0	-61.04	338.71	0.80	-60.24
CCCC(NC(=O)CS(=O)(=O)CC(C)C)C1=N[N-]N=N1	REAL000000001936	1	40	-1.0	-61.04	338.65	0.80	-60.24
CCCC(NC(=O)CS(=O)(=O)CC(C)C)C1=NNN=N1	REAL000000001936	1	41	0.0	-24.49	342.09	0.81	-23.68
CCCC(NC(=O)CCS(=O)(=O)C1CCCC1)C1=NN=N[N-]1	REAL000000001937	0	44	-1.0	-48.70	366.01	1.74	-46.96
CCCC(NC(=O)CCS(=O)(=O)C1CCCC1)C1=N[N-]N=N1	REAL000000001937	1	44	-1.0	-48.70	365.95	1.74	-46.96
CCCC(NC(=O)CCS(=O)(=O)C1CCCC1)C1=NNN=N1	REAL000000001937	1	45	0.0	-13.65	362.19	1.43	-12.22
CCCC(NC(=O)CS(=O)(=O)CC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL000000001938	0	42	-1.0	-65.01	382.73	2.64	-62.37
CCCC(NC(=O)CS(=O)(=O)CC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL000000001938	1	42	-1.0	-65.01	382.67	2.64	-62.36
CCCC(NC(=O)CS(=O)(=O)CC1=CC=C(C#N)C=C1)C1=NNN=N1	REAL000000001938	1	43	0.0	-30.17	386.10	2.65	-27.52
CCCC(NC(=O)CSC1=CC=C(C(C)C)C=C1)C1=NN=N[N-]1	REAL000000001939	0	45	-1.0	-46.32	377.69	6.72	-39.60
CCCC(NC(=O)CSC1=CC=C(C(C)C)C=C1)C1=N[N-]N=N1	REAL000000001939	1	45	-1.0	-46.31	377.63	6.72	-39.59
CCCC(NC(=O)CSC1=CC=C(C(C)C)C=C1)C1=NNN=N1	REAL000000001939	1	46	0.0	-12.09	381.06	6.73	-5.36
CCCC(NC(=O)C1=C(Br)C=CS1)C1=NN=N[N-]1	REAL000000001940	0	29	-1.0	-45.99	284.15	3.26	-42.72
CCCC(NC(=O)C1=C(Br)C=CS1)C1=N[N-]N=N1	REAL000000001940	1	29	-1.0	-45.99	284.10	3.25	-42.73
CCCC(NC(=O)C1=C(Br)C=CS1)C1=NNN=N1	REAL000000001940	1	30	0.0	-10.78	287.53	3.27	-7.51
CCCC(NC(=O)C1=CC2=CC(Cl)=C(Cl)C=C2N1)C1=NN=N[N-]1	REAL000000001941	0	36	-1.0	-42.55	339.92	4.55	-38.00
CCCC(NC(=O)C1=CC2=CC(Cl)=C(Cl)C=C2N1)C1=N[N-]N=N1	REAL000000001941	1	36	-1.0	-42.54	339.86	4.54	-38.00
CCCC(NC(=O)C1=CC2=CC(Cl)=C(Cl)C=C2N1)C1=NNN=N1	REAL000000001941	1	37	0.0	-10.60	343.30	4.56	-6.04
CCCC(NC(=O)C1=NC(N2CCCC2)=NC=C1Cl)C1=NN=N[N-]1	REAL000000001942	0	42	-1.0	-44.42	358.69	4.11	-40.32
CCCC(NC(=O)C1=NC(N2CCCC2)=NC=C1Cl)C1=N[N-]N=N1	REAL000000001942	1	42	-1.0	-44.42	358.64	4.11	-40.31
CCCC(NC(=O)C1=NC(N2CCCC2)=NC=C1Cl)C1=NNN=N1	REAL000000001942	1	43	0.0	-9.26	362.07	4.12	-5.14
CCCC(NC(=O)CC1=C(C)N(C2=CC=C(Cl)C=C2)N=C1C)C1=NN=N[N-]1	REAL000000001953	0	48	-1.0	-52.15	413.11	6.97	-45.18
CCCC(NC(=O)CC1=C(C)N(C2=CC=C(Cl)C=C2)N=C1C)C1=N[N-]N=N1	REAL000000001953	1	48	-1.0	-52.15	413.05	6.97	-45.18
CCCC(NC(=O)CC1=C(C)N(C2=CC=C(Cl)C=C2)N=C1C)C1=NNN=N1	REAL000000001953	1	49	0.0	-16.79	416.48	6.98	-9.81
CCCC(NC(=O)CC1=NN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL000000001954	0	41	-1.0	-57.86	352.65	4.16	-53.70
CCCC(NC(=O)CC1=NN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL000000001954	1	41	-1.0	-57.86	352.59	4.15	-53.71
CCCC(NC(=O)CC1=NN(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000001954	1	42	0.0	-20.03	356.03	4.17	-15.87
CCCC(NC(=O)CC1NC(=O)N(C2=CC=C(F)C=C2)C1=O)C1=NN=N[N-]1	REAL000000001955	0	44	-1.0	-42.47	373.54	2.67	-39.80
CCCC(NC(=O)CC1NC(=O)N(C2=CC=C(F)C=C2)C1=O)C1=N[N-]N=N1	REAL000000001955	1	44	-1.0	-42.47	373.48	2.67	-39.79
CCCC(NC(=O)CC1NC(=O)N(C2=CC=C(F)C=C2)C1=O)C1=NNN=N1	REAL000000001955	1	45	0.0	-12.39	376.92	2.68	-9.70
CCCC(NC(=O)C1=CC=C(N2C=CNC2=S)C=C1)C1=NN=N[N-]1	REAL000000001956	0	40	-1.0	-56.68	356.83	6.39	-50.29
CCCC(NC(=O)C1=CC=C(N2C=CNC2=S)C=C1)C1=N[N-]N=N1	REAL000000001956	1	40	-1.0	-56.68	356.78	6.39	-50.29
CCCC(NC(=O)C1=CC=C(N2C=CNC2=S)C=C1)C1=NNN=N1	REAL000000001956	1	41	0.0	-26.81	360.21	6.40	-20.41
CCCC(NC(=O)C1=CC=C(COC2=CC=CC=C2OC)O1)C1=NN=N[N-]1	REAL000000001957	0	47	-1.0	-51.54	399.61	5.01	-46.54
CCCC(NC(=O)C1=CC=C(COC2=CC=CC=C2OC)O1)C1=N[N-]N=N1	REAL000000001957	1	47	-1.0	-51.54	399.56	5.00	-46.54
CCCC(NC(=O)C1=CC=C(COC2=CC=CC=C2OC)O1)C1=NNN=N1	REAL000000001957	1	48	0.0	-12.35	395.81	4.68	-7.67
CCCCCCCCCCCCCCCCC(=O)NC(CCC)C1=NN=N[N-]1	REAL000000001958	0	70	-1.0	-45.00	539.95	12.30	-32.70
CCCCCCCCCCCCCCCCC(=O)NC(CCC)C1=N[N-]N=N1	REAL000000001958	1	70	-1.0	-45.00	539.89	12.29	-32.70
CCCCCCCCCCCCCCCCC(=O)NC(CCC)C1=NNN=N1	REAL000000001958	1	71	0.0	-9.67	543.32	12.31	2.65
CCCCCCCCCCC(=O)NC(CCC)C1=NN=N[N-]1	REAL000000001959	0	52	-1.0	-45.00	410.95	7.60	-37.40
CCCCCCCCCCC(=O)NC(CCC)C1=N[N-]N=N1	REAL000000001959	1	52	-1.0	-44.99	410.90	7.60	-37.39
CCCCCCCCCCC(=O)NC(CCC)C1=NNN=N1	REAL000000001959	1	53	0.0	-9.76	414.33	7.61	-2.15
CCCC(NC(=O)C1=CC=CC(C(=O)OC)=C1)C1=NN=N[N-]1	REAL000000001960	0	38	-1.0	-53.26	329.12	4.30	-48.96
CCCC(NC(=O)C1=CC=CC(C(=O)OC)=C1)C1=N[N-]N=N1	REAL000000001960	1	38	-1.0	-53.26	329.07	4.30	-48.96
CCCC(NC(=O)C1=CC=CC(C(=O)OC)=C1)C1=NNN=N1	REAL000000001960	1	39	0.0	-17.45	332.50	4.31	-13.14
CCCC(NC(=O)C(C)NC(=O)C1CCCC1)C1=NN=N[N-]1	REAL000000001961	0	45	-1.0	-44.97	360.53	2.59	-42.38
CCCC(NC(=O)C(C)NC(=O)C1CCCC1)C1=N[N-]N=N1	REAL000000001961	1	45	-1.0	-44.97	360.47	2.59	-42.38
CCCC(NC(=O)C(C)NC(=O)C1CCCC1)C1=NNN=N1	REAL000000001961	1	46	0.0	-10.52	363.91	2.60	-7.92
CCCC(NC(=O)CCCCC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000001962	0	44	-1.0	-45.22	384.67	7.31	-37.92
CCCC(NC(=O)CCCCC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000001962	1	44	-1.0	-45.22	384.61	7.30	-37.92
CCCC(NC(=O)CCCCC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000001962	1	45	0.0	-10.92	388.05	7.32	-3.60
CCCC(NC(=O)C1=CC(C2=C(C)N(C)N=C2C)=NN1)C1=NN=N[N-]1	REAL000000001963	0	45	-1.0	-48.31	380.87	2.53	-45.77
CCCC(NC(=O)C1=CC(C2=C(C)N(C)N=C2C)=NN1)C1=N[N-]N=N1	REAL000000001963	1	45	-1.0	-48.30	380.81	2.52	-45.78
CCCC(NC(=O)C1=CC(C2=C(C)N(C)N=C2C)=NN1)C1=NNN=N1	REAL000000001963	1	46	0.0	-15.50	384.25	2.54	-12.96
CCCC(NC(=O)C1=CC(C2=CC=C(C)O2)=NN1)C1=NN=N[N-]1	REAL000000001964	0	39	-1.0	-46.29	340.82	2.64	-43.65
CCCC(NC(=O)C1=CC(C2=CC=C(C)O2)=NN1)C1=N[N-]N=N1	REAL000000001964	1	39	-1.0	-46.29	340.76	2.64	-43.65
CCCC(NC(=O)C1=CC(C2=CC=C(C)O2)=NN1)C1=NNN=N1	REAL000000001964	1	40	0.0	-13.60	344.20	2.65	-10.95
CCCC(NC(=O)CCCOC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL000000001965	0	42	-1.0	-50.73	370.76	5.41	-45.32
CCCC(NC(=O)CCCOC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL000000001965	1	42	-1.0	-50.73	370.71	5.40	-45.33
CCCC(NC(=O)CCCOC1=CC=CC=C1Br)C1=NNN=N1	REAL000000001965	1	43	0.0	-15.38	374.14	5.42	-9.97
CCCC(NC(=O)C1=NN(CC2=CC=CC=C2)C(=O)CC1)C1=NN=N[N-]1	REAL000000001966	0	46	-1.0	-42.49	386.79	4.75	-37.74
CCCC(NC(=O)C1=NN(CC2=CC=CC=C2)C(=O)CC1)C1=N[N-]N=N1	REAL000000001966	1	46	-1.0	-42.48	386.74	4.74	-37.74
CCCC(NC(=O)C1=NN(CC2=CC=CC=C2)C(=O)CC1)C1=NNN=N1	REAL000000001966	1	47	0.0	-9.38	383.00	4.42	-4.96
CCCC(NC(=O)C1=CC=C(CNC(=O)C2=CC=CS2)C=C1)C1=NN=N[N-]1	REAL000000001967	0	46	-1.0	-49.00	404.37	4.74	-44.25
CCCC(NC(=O)C1=CC=C(CNC(=O)C2=CC=CS2)C=C1)C1=N[N-]N=N1	REAL000000001967	1	46	-1.0	-48.99	404.32	4.74	-44.25
CCCC(NC(=O)C1=CC=C(CNC(=O)C2=CC=CS2)C=C1)C1=NNN=N1	REAL000000001967	1	47	0.0	-12.21	400.57	4.43	-7.78
CCCC(NC(=O)C1=CC2=C(C)NN=C2N=C1)C1=NN=N[N-]1	REAL000000001968	0	37	-1.0	-50.87	317.41	2.21	-48.66
CCCC(NC(=O)C1=CC2=C(C)NN=C2N=C1)C1=N[N-]N=N1	REAL000000001968	1	37	-1.0	-50.87	317.35	2.20	-48.67
CCCC(NC(=O)C1=CC2=C(C)NN=C2N=C1)C1=NNN=N1	REAL000000001968	1	38	0.0	-17.23	320.78	2.22	-15.01
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCCC2)=C(C)O1)C1=NN=N[N-]1	REAL000000001969	0	47	-1.0	-52.30	398.04	1.38	-50.91
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCCC2)=C(C)O1)C1=N[N-]N=N1	REAL000000001969	1	47	-1.0	-52.29	397.98	1.37	-50.92
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCCC2)=C(C)O1)C1=NNN=N1	REAL000000001969	1	48	0.0	-16.47	401.42	1.39	-15.07
CCCC(NC(=O)C(=O)C1=CN(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL000000001970	0	43	-1.0	-45.03	359.73	3.28	-41.74
CCCC(NC(=O)C(=O)C1=CN(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL000000001970	1	43	-1.0	-45.02	359.67	3.28	-41.74
CCCC(NC(=O)C(=O)C1=CN(C(C)(C)C)N=C1)C1=NNN=N1	REAL000000001970	1	44	0.0	-8.70	355.94	2.97	-5.74
CCCC(NC(=O)CN(C)C1=C2NC=NC2=NC=N1)C1=NN=N[N-]1	REAL000000001971	0	41	-1.0	-51.37	340.52	3.15	-48.23
CCCC(NC(=O)CN(C)C1=C2NC=NC2=NC=N1)C1=N[N-]N=N1	REAL000000001971	1	41	-1.0	-51.37	340.46	3.14	-48.23
CCCC(NC(=O)C1=C(Cl)N=C2C=CC=CN21)C1=NN=N[N-]1	REAL000000001972	0	35	-1.0	-53.87	321.79	4.32	-49.56
CCCC(NC(=O)C1=C(Cl)N=C2C=CC=CN21)C1=N[N-]N=N1	REAL000000001972	1	35	-1.0	-53.87	321.73	4.31	-49.56
CCCC(NC(=O)C1=C(Cl)N=C2C=CC=CN21)C1=NNN=N1	REAL000000001972	1	36	0.0	-16.94	325.16	4.32	-12.61
CCCC(NC(=O)C1=NC(N2CCOCC2)=NC=C1Cl)C1=NN=N[N-]1	REAL000000001973	0	43	-1.0	-43.31	367.82	2.64	-40.68
CCCC(NC(=O)C1=NC(N2CCOCC2)=NC=C1Cl)C1=N[N-]N=N1	REAL000000001973	1	43	-1.0	-43.31	367.76	2.63	-40.69
CCCC(NC(=O)C1=NC(N2CCOCC2)=NC=C1Cl)C1=NNN=N1	REAL000000001973	1	44	0.0	-9.53	371.19	2.64	-6.89
CCCC(NC(=O)C1=NC(NCC2=CC=CO2)=NC=C1Cl)C1=NN=N[N-]1	REAL000000001974	0	42	-1.0	-45.44	378.58	4.67	-40.77
CCCC(NC(=O)C1=NC(NCC2=CC=CO2)=NC=C1Cl)C1=N[N-]N=N1	REAL000000001974	1	42	-1.0	-45.44	378.53	4.66	-40.78
CCCC(NC(=O)C1=NC(NCC2=CC=CO2)=NC=C1Cl)C1=NNN=N1	REAL000000001974	1	43	0.0	-8.63	374.78	4.35	-4.28
CCCC(NC(=O)CCCC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000001975	0	41	-1.0	-46.81	358.61	6.42	-40.39
CCCC(NC(=O)CCCC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000001975	1	41	-1.0	-46.81	358.55	6.42	-40.39
CCCC(NC(=O)CCCC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000001975	1	42	0.0	-12.36	361.99	6.43	-5.93
CCCC(NC(=O)CCOC1=CC=C(F)C=C1Cl)C1=NN=N[N-]1	REAL000000001976	0	39	-1.0	-42.69	351.29	4.59	-38.10
CCCC(NC(=O)CCOC1=CC=C(F)C=C1Cl)C1=N[N-]N=N1	REAL000000001976	1	39	-1.0	-42.68	351.23	4.58	-38.10
CCCC(NC(=O)CCOC1=CC=C(F)C=C1Cl)C1=NNN=N1	REAL000000001976	1	40	0.0	-7.90	347.47	4.27	-3.63
CCCC(NC(=O)CCOC1=CC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL000000001977	0	39	-1.0	-44.36	361.61	5.04	-39.32
CCCC(NC(=O)CCOC1=CC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL000000001977	1	39	-1.0	-44.36	361.55	5.03	-39.33
CCCC(NC(=O)CCOC1=CC(Cl)=CC=C1Cl)C1=NNN=N1	REAL000000001977	1	40	0.0	-10.44	364.99	5.05	-5.39
CCCC(NC(=O)CC1=CSC(NC(=O)C(C)C)=N1)C1=NN=N[N-]1	REAL000000001978	0	44	-1.0	-52.83	378.64	2.94	-49.89
CCCC(NC(=O)CC1=CSC(NC(=O)C(C)C)=N1)C1=N[N-]N=N1	REAL000000001978	1	44	-1.0	-52.83	378.59	2.94	-49.89
CCCC(NC(=O)CC1=CSC(NC(=O)C(C)C)=N1)C1=NNN=N1	REAL000000001978	1	45	0.0	-17.22	382.02	2.95	-14.27
CCCC(NC(=O)C1=CC=CC(CS(=O)(=O)C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000001979	0	48	-1.0	-60.30	416.41	5.10	-55.20
CCCC(NC(=O)C1=CC=CC(CS(=O)(=O)C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000001979	1	48	-1.0	-60.30	416.35	5.09	-55.21
CCCC(NC(=O)C1=CC=CC(CS(=O)(=O)C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000001979	1	49	0.0	-20.91	419.79	5.11	-15.81
CCCC(NC(=O)C1=CC=CC(OCC2=CC=CN=C2)=C1)C1=NN=N[N-]1	REAL000000001980	0	45	-1.0	-53.31	380.44	5.14	-48.17
CCCC(NC(=O)C1=CC=CC(OCC2=CC=CN=C2)=C1)C1=N[N-]N=N1	REAL000000001980	1	45	-1.0	-53.31	380.38	5.14	-48.18
CCCC(NC(=O)C1=CC=CC(OCC2=CC=CN=C2)=C1)C1=NNN=N1	REAL000000001980	1	46	0.0	-16.59	383.81	5.15	-11.44
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL000000001981	0	42	-1.0	-45.47	361.11	4.01	-41.47
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL000000001981	1	42	-1.0	-45.47	361.05	4.01	-41.46
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000001981	1	43	0.0	-11.88	364.38	4.00	-7.88
CCCC(NC(=O)C1=C(C)C=C(Br)O1)C1=NN=N[N-]1	REAL000000001982	0	32	-1.0	-42.01	298.16	3.06	-38.94
CCCC(NC(=O)C1=C(C)C=C(Br)O1)C1=N[N-]N=N1	REAL000000001982	1	32	-1.0	-42.00	298.10	3.05	-38.95
CCCC(NC(=O)C1=C(C)C=C(Br)O1)C1=NNN=N1	REAL000000001982	1	33	0.0	-5.87	294.36	2.74	-3.14
CCCC(NC(=O)CCCN1C=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000001983	0	44	-1.0	-54.24	369.22	6.69	-47.54
CCCC(NC(=O)CCCN1C=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000001983	1	44	-1.0	-54.24	369.16	6.69	-47.54
CCCC(NC(=O)CCCN1C=NC2=CC=CC=C21)C1=NNN=N1	REAL000000001983	1	45	0.0	-19.86	372.59	6.70	-13.16
CCCC(NC(=O)CSCC1=COC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL000000001984	0	45	-1.0	-52.60	400.07	4.10	-48.51
CCCC(NC(=O)CSCC1=COC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL000000001984	1	45	-1.0	-52.60	400.01	4.09	-48.51
CCCC(NC(=O)CSCC1=COC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000001984	1	46	0.0	-18.67	403.45	4.11	-14.56
CCCCS(=O)(=O)N1CCC(C(=O)NC(CCC)C2=NN=N[N-]2)CC1	REAL000000001985	0	52	-1.0	-48.40	419.47	2.81	-45.59
CCCCS(=O)(=O)N1CCC(C(=O)NC(CCC)C2=N[N-]N=N2)CC1	REAL000000001985	1	52	-1.0	-48.39	419.41	2.81	-45.58
CCCCS(=O)(=O)N1CCC(C(=O)NC(CCC)C2=NNN=N2)CC1	REAL000000001985	1	53	0.0	-13.40	415.66	2.50	-10.90
CCCC(NC(=O)C1=NN(C(C)(C)C)C(C2CC2)=C1)C1=NN=N[N-]1	REAL000000001986	0	48	-1.0	-50.83	382.64	5.13	-45.70
CCCC(NC(=O)C1=NN(C(C)(C)C)C(C2CC2)=C1)C1=N[N-]N=N1	REAL000000001986	1	48	-1.0	-50.84	382.58	5.12	-45.72
CCCC(NC(=O)C1=NN(C(C)(C)C)C(C2CC2)=C1)C1=NNN=N1	REAL000000001986	1	49	0.0	-12.09	386.01	5.14	-6.94
CCCC(NC(=O)C1=C(Cl)C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL000000001987	0	36	-1.0	-46.97	322.77	4.13	-42.83
CCCC(NC(=O)C1=C(Cl)C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL000000001987	1	36	-1.0	-46.96	322.72	4.13	-42.83
CCCC(NC(=O)C1=C(Cl)C2=CC=CC=C2N1)C1=NNN=N1	REAL000000001987	1	37	0.0	-12.52	326.15	4.14	-8.38
CCCC(NC(=O)C1=C(Cl)C2=CC(Br)=CC=C2N1)C1=NN=N[N-]1	REAL000000001988	0	36	-1.0	-45.28	344.04	4.74	-40.54
CCCC(NC(=O)C1=C(Cl)C2=CC(Br)=CC=C2N1)C1=N[N-]N=N1	REAL000000001988	1	36	-1.0	-45.28	343.98	4.74	-40.55
CCCC(NC(=O)C1=C(Cl)C2=CC(Br)=CC=C2N1)C1=NNN=N1	REAL000000001988	1	37	0.0	-12.38	347.42	4.75	-7.63
CCCC(NC(=O)C1=C(Cl)C2=CC(F)=CC=C2N1)C1=NN=N[N-]1	REAL000000001989	0	36	-1.0	-46.26	328.95	4.16	-42.09
CCCC(NC(=O)C1=C(Cl)C2=CC(F)=CC=C2N1)C1=N[N-]N=N1	REAL000000001989	1	36	-1.0	-46.25	328.89	4.16	-42.09
CCCC(NC(=O)C1=C(Cl)C2=CC(F)=CC=C2N1)C1=NNN=N1	REAL000000001989	1	37	0.0	-13.40	332.32	4.17	-9.23
CCCC(NC(=O)CN1CCCS1(=O)=O)C1=NN=N[N-]1	REAL000000001990	0	37	-1.0	-62.30	321.60	-0.85	-63.15
CCCC(NC(=O)CN1CCCS1(=O)=O)C1=N[N-]N=N1	REAL000000001990	1	37	-1.0	-62.30	321.55	-0.86	-63.16
CCCC(NC(=O)CN1CCCS1(=O)=O)C1=NNN=N1	REAL000000001990	1	38	0.0	-21.88	324.98	-0.84	-22.72
CCCC(NC(=O)C(C)SCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000001991	0	42	-1.0	-47.75	361.85	6.26	-41.49
CCCC(NC(=O)C(C)SCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000001991	1	42	-1.0	-47.75	361.79	6.26	-41.49
CCCC(NC(=O)C(C)SCC1=CC=CC=C1)C1=NNN=N1	REAL000000001991	1	43	0.0	-13.19	365.23	6.27	-6.92
CCCOC1=CC=CC(C(=O)NC(CCC)C2=NN=N[N-]2)=C1	REAL000000001992	0	42	-1.0	-49.50	347.18	4.70	-44.81
CCCOC1=CC=CC(C(=O)NC(CCC)C2=N[N-]N=N2)=C1	REAL000000001992	1	42	-1.0	-49.50	347.13	4.70	-44.80
CCCOC1=CC=CC(C(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000001992	1	43	0.0	-13.16	350.56	4.71	-8.45
CCCC(NC(=O)CC1=CSC2=CC=CC=C12)C1=NN=N[N-]1	REAL000000001993	0	38	-1.0	-47.97	335.33	5.66	-42.30
CCCC(NC(=O)CC1=CSC2=CC=CC=C12)C1=N[N-]N=N1	REAL000000001993	1	38	-1.0	-47.96	335.28	5.65	-42.31
CCCC(NC(=O)CC1=CSC2=CC=CC=C12)C1=NNN=N1	REAL000000001993	1	39	0.0	-13.12	338.72	5.67	-7.45
CCCC(NC(=O)COC1=CC=C(Cl)C=C1C1CCCCC1)C1=NN=N[N-]1	REAL000000001994	0	52	-1.0	-48.31	424.87	8.61	-39.70
CCCC(NC(=O)COC1=CC=C(Cl)C=C1C1CCCCC1)C1=N[N-]N=N1	REAL000000001994	1	52	-1.0	-48.30	424.81	8.61	-39.70
CCCC(NC(=O)COC1=CC=C(Cl)C=C1C1CCCCC1)C1=NNN=N1	REAL000000001994	1	53	0.0	-13.32	428.24	8.62	-4.70
CCCC(NC(=O)C1=NN(CC2=CC=C(F)C=C2)C(=O)CC1)C1=NN=N[N-]1	REAL000000001995	0	46	-1.0	-41.78	393.16	4.81	-36.97
CCCC(NC(=O)C1=NN(CC2=CC=C(F)C=C2)C(=O)CC1)C1=N[N-]N=N1	REAL000000001995	1	46	-1.0	-41.78	393.10	4.80	-36.98
CCCC(NC(=O)C1=NN(CC2=CC=C(F)C=C2)C(=O)CC1)C1=NNN=N1	REAL000000001995	1	47	0.0	-11.56	396.54	4.82	-6.74
CCCC(NC(=O)C1CCCC(C(F)(F)F)C1)C1=NN=N[N-]1	REAL000000001996	0	41	-1.0	-46.40	337.52	4.82	-41.59
CCCC(NC(=O)C1CCCC(C(F)(F)F)C1)C1=N[N-]N=N1	REAL000000001996	1	41	-1.0	-46.40	337.46	4.82	-41.58
CCCC(NC(=O)C1CCCC(C(F)(F)F)C1)C1=NNN=N1	REAL000000001996	1	42	0.0	-12.17	340.89	4.83	-7.34
CCCC(NC(=O)C1CC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL000000001997	0	40	-1.0	-54.53	342.44	4.96	-49.58
CCCC(NC(=O)C1CC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL000000001997	1	40	-1.0	-54.53	342.38	4.96	-49.57
CCCC(NC(=O)C1CC(C2=CC=CC=C2)=NO1)C1=NNN=N1	REAL000000001997	1	41	0.0	-17.52	345.81	4.97	-12.56
CCCC(NC(=O)C1=NN(C2=CC=C(F)C(F)=C2)C2=C1CCC2)C1=NN=N[N-]1	REAL000000001998	0	46	-1.0	-49.22	395.54	6.76	-42.47
CCCC(NC(=O)C1=NN(C2=CC=C(F)C(F)=C2)C2=C1CCC2)C1=N[N-]N=N1	REAL000000001998	1	46	-1.0	-49.23	395.48	6.75	-42.48
CCCC(NC(=O)C1=NN(C2=CC=C(F)C(F)=C2)C2=C1CCC2)C1=NNN=N1	REAL000000001998	1	47	0.0	-12.24	398.92	6.77	-5.47
CCCC(NC(=O)C1=CN(C2=CC=C(Cl)C=C2)N=C1)C1=NN=N[N-]1	REAL000000001999	0	39	-1.0	-45.65	352.05	5.31	-40.35
CCCC(NC(=O)C1=CN(C2=CC=C(Cl)C=C2)N=C1)C1=N[N-]N=N1	REAL000000001999	1	39	-1.0	-45.65	351.99	5.31	-40.34
CCCC(NC(=O)C1=CN(C2=CC=C(Cl)C=C2)N=C1)C1=NNN=N1	REAL000000001999	1	40	0.0	-12.08	355.43	5.31	-6.77
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CC1=CC=CC=C1F)C1=NN=N[N-]1	REAL000000002000	0	49	-1.0	-45.90	402.16	8.88	-37.02
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CC1=CC=CC=C1F)C1=N[N-]N=N1	REAL000000002000	1	49	-1.0	-45.89	402.10	8.87	-37.02
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CC1=CC=CC=C1F)C1=NNN=N1	REAL000000002000	1	50	0.0	-8.56	396.92	8.55	-0.01
CCCC(NC(=O)C1=CC=C(OCC(=O)NC(C)C)C(OC)=C1)C1=NN=N[N-]1	REAL000000002001	0	53	-1.0	-57.68	435.60	3.96	-53.73
CCCC(NC(=O)C1=CC=C(OCC(=O)NC(C)C)C(OC)=C1)C1=N[N-]N=N1	REAL000000002001	1	53	-1.0	-57.68	435.54	3.95	-53.73
CCCC(NC(=O)C1=CC=C(OCC(=O)NC(C)C)C(OC)=C1)C1=NNN=N1	REAL000000002001	1	54	0.0	-24.03	438.98	3.96	-20.07
CCCC(NC(=O)C(C)OC1=CC(C(C)C)=CC=C1C)C1=NN=N[N-]1	REAL000000002002	0	51	-1.0	-48.64	405.63	7.44	-41.19
CCCC(NC(=O)C(C)OC1=CC(C(C)C)=CC=C1C)C1=N[N-]N=N1	REAL000000002002	1	51	-1.0	-48.64	405.57	7.44	-41.20
CCCC(NC(=O)C(C)OC1=CC(C(C)C)=CC=C1C)C1=NNN=N1	REAL000000002002	1	52	0.0	-9.78	401.78	7.02	-2.76
CCCC(NC(=O)C(C)OC1=CC=CC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000002003	0	51	-1.0	-49.02	401.54	7.14	-41.88
CCCC(NC(=O)C(C)OC1=CC=CC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000002003	1	51	-1.0	-49.02	401.48	7.14	-41.88
CCCC(NC(=O)C(C)OC1=CC=CC(C(C)(C)C)=C1)C1=NNN=N1	REAL000000002003	1	52	0.0	-10.36	396.90	6.77	-3.59
CCCC(NC(=O)C(C)OC1=CC=C(C)C=C1Br)C1=NN=N[N-]1	REAL000000002004	0	42	-1.0	-51.46	366.35	6.17	-45.30
CCCC(NC(=O)C(C)OC1=CC=C(C)C=C1Br)C1=N[N-]N=N1	REAL000000002004	1	42	-1.0	-51.46	366.30	6.16	-45.30
CCCC(NC(=O)C(C)OC1=CC=C(C)C=C1Br)C1=NNN=N1	REAL000000002004	1	43	0.0	-15.40	369.73	6.17	-9.24
CCCC(NC(=O)C(C)OC1=CC=C(C(C)C)C(C)=C1)C1=NN=N[N-]1	REAL000000002005	0	51	-1.0	-49.56	402.93	7.28	-42.28
CCCC(NC(=O)C(C)OC1=CC=C(C(C)C)C(C)=C1)C1=N[N-]N=N1	REAL000000002005	1	51	-1.0	-49.56	402.88	7.27	-42.29
CCCC(NC(=O)C(C)OC1=CC=C(C(C)C)C(C)=C1)C1=NNN=N1	REAL000000002005	1	52	0.0	-13.77	406.35	7.29	-6.48
CCCC(NC(=O)C=CC1=CC=C(OC(C)C)C=C1)C1=NN=N[N-]1	REAL000000002006	0	46	-1.0	-46.89	378.05	5.71	-41.18
CCCC(NC(=O)C=CC1=CC=C(OC(C)C)C=C1)C1=N[N-]N=N1	REAL000000002006	1	46	-1.0	-46.90	378.00	5.71	-41.19
CCCC(NC(=O)C=CC1=CC=C(OC(C)C)C=C1)C1=NNN=N1	REAL000000002006	1	47	0.0	-8.88	374.23	5.40	-3.48
CCCOC1=CC=C(C=CC(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000002007	0	46	-1.0	-46.68	381.66	5.90	-40.77
CCCOC1=CC=C(C=CC(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000002007	1	46	-1.0	-46.67	381.60	5.89	-40.78
CCCOC1=CC=C(C=CC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000002007	1	47	0.0	-11.66	385.03	5.91	-5.75
CCCC(NC(=O)C1=CN(C2=CC=C(Br)C=C2)N=C1)C1=NN=N[N-]1	REAL000000002008	0	39	-1.0	-45.52	356.61	5.41	-40.10
CCCC(NC(=O)C1=CN(C2=CC=C(Br)C=C2)N=C1)C1=N[N-]N=N1	REAL000000002008	1	39	-1.0	-45.52	356.56	5.41	-40.11
CCCC(NC(=O)C1=CN(C2=CC=C(Br)C=C2)N=C1)C1=NNN=N1	REAL000000002008	1	40	0.0	-12.01	359.99	5.42	-6.59
CCCC(NC(=O)CNC(=O)CC(F)(F)F)C1=NN=N[N-]1	REAL000000002009	0	35	-1.0	-45.00	315.35	0.25	-44.75
CCCC(NC(=O)CNC(=O)CC(F)(F)F)C1=N[N-]N=N1	REAL000000002009	1	35	-1.0	-45.00	315.29	0.25	-44.75
CCCC(NC(=O)CNC(=O)CC(F)(F)F)C1=NNN=N1	REAL000000002009	1	36	0.0	-12.20	311.56	-0.07	-12.27
CCCC(NC(=O)CN1N=C(C)C(Cl)=C1C)C1=NN=N[N-]1	REAL000000002010	0	38	-1.0	-47.62	337.88	3.28	-44.33
CCCC(NC(=O)CN1N=C(C)C(Cl)=C1C)C1=N[N-]N=N1	REAL000000002010	1	38	-1.0	-47.62	337.82	3.27	-44.35
CCCC(NC(=O)CN1N=C(C)C(Cl)=C1C)C1=NNN=N1	REAL000000002010	1	39	0.0	-16.67	341.26	3.29	-13.38
CCCC(NC(=O)C1=CN(CCOC)C(=O)C=C1)C1=NN=N[N-]1	REAL000000002011	0	42	-1.0	-47.90	352.22	3.07	-44.83
CCCC(NC(=O)C1=CN(CCOC)C(=O)C=C1)C1=N[N-]N=N1	REAL000000002011	1	42	-1.0	-47.89	352.17	3.06	-44.83
CCCC(NC(=O)C1=CN(CCOC)C(=O)C=C1)C1=NNN=N1	REAL000000002011	1	43	0.0	-14.14	356.94	2.49	-11.65
CCCC(NC(=O)CCC1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL000000002012	0	35	-1.0	-44.19	327.65	4.85	-39.34
CCCC(NC(=O)CCC1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL000000002012	1	35	-1.0	-44.19	327.59	4.84	-39.35
CCCC(NC(=O)CCC1=CC=C(Cl)S1)C1=NNN=N1	REAL000000002012	1	36	0.0	-9.54	331.02	4.86	-4.69
CCCC(NC(=O)C1=CC=C(C)C(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000002013	0	41	-1.0	-57.69	346.48	1.81	-55.89
CCCC(NC(=O)C1=CC=C(C)C(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000002013	1	41	-1.0	-57.69	346.42	1.81	-55.89
CCCC(NC(=O)C1=CC=C(C)C(S(C)(=O)=O)=C1)C1=NNN=N1	REAL000000002013	1	42	0.0	-18.12	342.66	1.49	-16.62
CCCC(NC(=O)CNC(=O)CC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL000000002014	0	42	-1.0	-45.12	364.36	2.88	-42.23
CCCC(NC(=O)CNC(=O)CC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL000000002014	1	42	-1.0	-45.11	364.30	2.88	-42.22
CCCC(NC(=O)CNC(=O)CC1=CC=CC(F)=C1)C1=NNN=N1	REAL000000002014	1	43	0.0	-14.20	367.73	2.89	-11.31
CCCC(NC(=O)CCC1=CC=C(C(C)C)C=C1)C1=NN=N[N-]1	REAL000000002015	0	47	-1.0	-44.95	380.60	7.05	-37.90
CCCC(NC(=O)CCC1=CC=C(C(C)C)C=C1)C1=N[N-]N=N1	REAL000000002015	1	47	-1.0	-44.95	380.54	7.04	-37.91
CCCC(NC(=O)CCC1=CC=C(C(C)C)C=C1)C1=NNN=N1	REAL000000002015	1	48	0.0	-9.84	383.98	7.06	-2.78
CCCC(NC(=O)COC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000002016	0	39	-1.0	-47.47	346.62	5.21	-42.26
CCCC(NC(=O)COC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000002016	1	39	-1.0	-47.47	346.57	5.21	-42.26
CCCC(NC(=O)COC1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000002016	1	40	0.0	-11.05	342.80	4.80	-6.25
CCCC(NC(=O)CCN1CCCS1(=O)=O)C1=NN=N[N-]1	REAL000000002017	0	40	-1.0	-53.27	342.63	-0.32	-53.59
CCCC(NC(=O)CCN1CCCS1(=O)=O)C1=N[N-]N=N1	REAL000000002017	1	40	-1.0	-53.27	342.57	-0.33	-53.60
CCCC(NC(=O)CCN1CCCS1(=O)=O)C1=NNN=N1	REAL000000002017	1	41	0.0	-21.17	346.01	-0.32	-21.49
CCCC(NC(=O)CC1=CSC(C2=NC=CC=N2)=N1)C1=NN=N[N-]1	REAL000000002018	0	39	-1.0	-57.41	354.35	2.63	-54.78
CCCC(NC(=O)CC1=CSC(C2=NC=CC=N2)=N1)C1=N[N-]N=N1	REAL000000002018	1	39	-1.0	-57.40	354.31	2.62	-54.78
CCCC(NC(=O)CC1=CSC(C2=NC=CC=N2)=N1)C1=NNN=N1	REAL000000002018	1	40	0.0	-18.74	350.56	2.30	-16.43
CCCC(NC(=O)C1=C(C)N=C(C2=NC=CC=N2)S1)C1=NN=N[N-]1	REAL000000002019	0	39	-1.0	-50.17	350.09	2.53	-47.64
CCCC(NC(=O)C1=C(C)N=C(C2=NC=CC=N2)S1)C1=N[N-]N=N1	REAL000000002019	1	39	-1.0	-50.16	350.03	2.53	-47.63
CCCC(NC(=O)C1=C(C)N=C(C2=NC=CC=N2)S1)C1=NNN=N1	REAL000000002019	1	40	0.0	-13.17	346.28	2.21	-10.96
CCCC(NC(=O)C1=CC=C(OC2CCCC2)C(OC)=C1)C1=NN=N[N-]1	REAL000000002020	0	50	-1.0	-47.80	397.49	5.77	-42.03
CCCC(NC(=O)C1=CC=C(OC2CCCC2)C(OC)=C1)C1=N[N-]N=N1	REAL000000002020	1	50	-1.0	-47.79	397.43	5.77	-42.02
CCCC(NC(=O)C1=CC=C(OC2CCCC2)C(OC)=C1)C1=NNN=N1	REAL000000002020	1	51	0.0	-10.03	394.19	5.46	-4.57
CCCC(NC(=O)C(C)SC1=NN=CN1C)C1=NN=N[N-]1	REAL000000002021	0	38	-1.0	-48.42	333.44	4.73	-43.70
CCCC(NC(=O)C(C)SC1=NN=CN1C)C1=N[N-]N=N1	REAL000000002021	1	38	-1.0	-48.42	333.38	4.72	-43.71
CCCC(NC(=O)C(C)SC1=NN=CN1C)C1=NNN=N1	REAL000000002021	1	39	0.0	-12.64	329.59	4.40	-8.25
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL000000002022	0	39	-1.0	-45.99	357.24	5.78	-40.21
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL000000002022	1	39	-1.0	-45.99	357.19	5.77	-40.22
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000002022	1	40	0.0	-12.29	360.61	5.79	-6.50
CCCC(NC(=O)COCC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000002023	0	43	-1.0	-51.32	362.96	4.01	-47.31
CCCC(NC(=O)COCC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000002023	1	43	-1.0	-51.32	362.90	4.01	-47.31
CCCC(NC(=O)COCC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000002023	1	44	0.0	-15.98	366.34	4.02	-11.96
CCCC(NC(=O)C1=CSC(C2=CN(C)N=C2)=N1)C1=NN=N[N-]1	REAL000000002024	0	38	-1.0	-51.32	346.28	2.24	-49.08
CCCC(NC(=O)C1=CSC(C2=CN(C)N=C2)=N1)C1=N[N-]N=N1	REAL000000002024	1	38	-1.0	-51.32	346.23	2.24	-49.08
CCCC(NC(=O)C1=CSC(C2=CN(C)N=C2)=N1)C1=NNN=N1	REAL000000002024	1	39	0.0	-13.98	349.66	2.25	-11.73
CCCC(NC(=O)CN1C=C(Br)C=N1)C1=NN=N[N-]1	REAL000000002025	0	32	-1.0	-52.79	300.89	2.36	-50.43
CCCC(NC(=O)CN1C=C(Br)C=N1)C1=N[N-]N=N1	REAL000000002025	1	32	-1.0	-52.80	300.84	2.36	-50.43
CCCC(NC(=O)CN1C=C(Br)C=N1)C1=NNN=N1	REAL000000002025	1	33	0.0	-15.92	304.27	2.37	-13.55
CCCC(NC(=O)C(C)NC(=O)C1=COC=C1)C1=NN=N[N-]1	REAL000000002026	0	39	-1.0	-47.98	336.28	0.96	-47.02
CCCC(NC(=O)C(C)NC(=O)C1=COC=C1)C1=N[N-]N=N1	REAL000000002026	1	39	-1.0	-47.96	336.22	0.96	-47.00
CCCC(NC(=O)C(C)NC(=O)C1=COC=C1)C1=NNN=N1	REAL000000002026	1	40	0.0	-12.02	332.47	0.65	-11.38
CCCC(NC(=O)CCCC(=O)C1=C(C)C=C(C)C=C1C)C1=NN=N[N-]1	REAL000000002027	0	52	-1.0	-53.85	425.00	7.67	-46.18
CCCC(NC(=O)CCCC(=O)C1=C(C)C=C(C)C=C1C)C1=N[N-]N=N1	REAL000000002027	1	52	-1.0	-53.85	424.94	7.66	-46.19
CCCC(NC(=O)CCCC(=O)C1=C(C)C=C(C)C=C1C)C1=NNN=N1	REAL000000002027	1	53	0.0	-17.73	428.37	7.68	-10.05
CCCC(NC(=O)CCSC1=C2C(C)=C(C)SC2=NC=N1)C1=NN=N[N-]1	REAL000000002028	0	46	-1.0	-51.03	401.54	6.14	-44.90
CCCC(NC(=O)CCSC1=C2C(C)=C(C)SC2=NC=N1)C1=N[N-]N=N1	REAL000000002028	1	46	-1.0	-51.03	401.48	6.13	-44.90
CCCC(NC(=O)CCSC1=C2C(C)=C(C)SC2=NC=N1)C1=NNN=N1	REAL000000002028	1	47	0.0	-16.19	404.92	6.15	-10.04
CCCC(NC(=O)C1=CC=C2C(=O)N(CC)C(=O)NC2=C1)C1=NN=N[N-]1	REAL000000002029	0	44	-1.0	-45.46	370.27	3.18	-42.27
CCCC(NC(=O)C1=CC=C2C(=O)N(CC)C(=O)NC2=C1)C1=N[N-]N=N1	REAL000000002029	1	44	-1.0	-45.46	370.21	3.17	-42.28
CCCC(NC(=O)C1=CC=C2C(=O)N(CC)C(=O)NC2=C1)C1=NNN=N1	REAL000000002029	1	45	0.0	-14.25	373.65	3.19	-11.06
CCCC(NC(=O)C(C)S(=O)(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000002030	0	41	-1.0	-53.31	361.87	2.11	-51.19
CCCC(NC(=O)C(C)S(=O)(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000002030	1	41	-1.0	-53.31	361.82	2.12	-51.19
CCCC(NC(=O)C(C)S(=O)(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000002030	1	42	0.0	-20.10	365.25	2.13	-17.98
CCCC(NC(=O)C1=C2NC(=O)C3=CC=CC=C3N2N=C1)C1=NN=N[N-]1	REAL000000002031	0	41	-1.0	-51.65	352.58	3.50	-48.15
CCCC(NC(=O)C1=C2NC(=O)C3=CC=CC=C3N2N=C1)C1=N[N-]N=N1	REAL000000002031	1	41	-1.0	-51.64	352.52	3.50	-48.14
CCCC(NC(=O)C1=C2NC(=O)C3=CC=CC=C3N2N=C1)C1=NNN=N1	REAL000000002031	1	42	0.0	-16.63	355.95	3.50	-13.13
CCCC(NC(=O)CCC1=C(C)N2N=CC=C2N=C1C)C1=NN=N[N-]1	REAL000000002032	0	46	-1.0	-46.91	376.75	4.96	-41.96
CCCC(NC(=O)CCC1=C(C)N2N=CC=C2N=C1C)C1=N[N-]N=N1	REAL000000002032	1	46	-1.0	-46.92	376.69	4.96	-41.96
CCCC(NC(=O)CCC1=C(C)N2N=CC=C2N=C1C)C1=NNN=N1	REAL000000002032	1	47	0.0	-15.98	380.12	4.96	-11.02
CCCC(NC(=O)C(C)SC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000002033	0	39	-1.0	-44.94	357.42	5.86	-39.08
CCCC(NC(=O)C(C)SC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000002033	1	39	-1.0	-44.94	357.36	5.85	-39.09
CCCC(NC(=O)C(C)SC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000002033	1	40	0.0	-8.18	353.57	5.55	-2.63
CCCC(NC(=O)CCOC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000002034	0	41	-1.0	-48.46	354.87	5.41	-43.05
CCCC(NC(=O)CCOC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000002034	1	41	-1.0	-48.46	354.81	5.40	-43.06
CCCC(NC(=O)CCOC1=CC=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000002034	1	42	0.0	-15.53	358.25	5.42	-10.11
CCCC(NC(=O)C1=CC2=CC=C(OCC)C=C2N1)C1=NN=N[N-]1	REAL000000002035	0	43	-1.0	-46.05	359.37	3.81	-42.24
CCCC(NC(=O)C1=CC2=CC=C(OCC)C=C2N1)C1=N[N-]N=N1	REAL000000002035	1	43	-1.0	-46.05	359.31	3.81	-42.24
CCCC(NC(=O)C1=CC2=CC=C(OCC)C=C2N1)C1=NNN=N1	REAL000000002035	1	44	0.0	-11.60	362.74	3.82	-7.78
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C(C)=C1)C1=NN=N[N-]1	REAL000000002036	0	42	-1.0	-47.61	360.79	5.91	-41.70
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C(C)=C1)C1=N[N-]N=N1	REAL000000002036	1	42	-1.0	-47.61	360.73	5.90	-41.71
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C(C)=C1)C1=NNN=N1	REAL000000002036	1	43	0.0	-13.43	364.15	5.92	-7.52
CCCC(NC(=O)C1=CC=CC(NC(=O)CC)=C1)C1=NN=N[N-]1	REAL000000002037	0	42	-1.0	-61.90	351.02	3.37	-58.53
CCCC(NC(=O)C1=CC=CC(NC(=O)CC)=C1)C1=N[N-]N=N1	REAL000000002037	1	42	-1.0	-61.90	350.97	3.37	-58.53
CCCC(NC(=O)C1=CC=CC(NC(=O)CC)=C1)C1=NNN=N1	REAL000000002037	1	43	0.0	-21.00	354.40	3.38	-17.63
CCCC(NC(=O)CCCOCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002038	0	48	-1.0	-48.20	397.40	5.97	-42.23
CCCC(NC(=O)CCCOCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002038	1	48	-1.0	-48.19	397.34	5.96	-42.23
CCCC(NC(=O)CCCOCCC1=CC=CC=C1)C1=NNN=N1	REAL000000002038	1	49	0.0	-12.94	400.78	5.97	-6.97
CCCC(NC(=O)C1CCCN(C(=O)CC)C1)C1=NN=N[N-]1	REAL000000002039	0	45	-1.0	-49.17	356.07	3.49	-45.67
CCCC(NC(=O)C1CCCN(C(=O)CC)C1)C1=N[N-]N=N1	REAL000000002039	1	45	-1.0	-49.17	356.02	3.50	-45.67
CCCC(NC(=O)C1CCCN(C(=O)CC)C1)C1=NNN=N1	REAL000000002039	1	46	0.0	-11.48	352.26	3.18	-8.30
CCCC(NC(=O)C1CC(C2=CC=C(Cl)C=C2Cl)=NO1)C1=NN=N[N-]1	REAL000000002040	0	40	-1.0	-50.28	371.56	6.14	-44.15
CCCC(NC(=O)C1CC(C2=CC=C(Cl)C=C2Cl)=NO1)C1=N[N-]N=N1	REAL000000002040	1	40	-1.0	-50.28	371.51	6.13	-44.15
CCCC(NC(=O)C1CC(C2=CC=C(Cl)C=C2Cl)=NO1)C1=NNN=N1	REAL000000002040	1	41	0.0	-16.68	367.81	5.73	-10.96
CCCC(NC(=O)C(C)OC1=CC(C)=CC=C1C(C)C)C1=NN=N[N-]1	REAL000000002041	0	51	-1.0	-49.71	405.37	7.45	-42.25
CCCC(NC(=O)C(C)OC1=CC(C)=CC=C1C(C)C)C1=N[N-]N=N1	REAL000000002041	1	51	-1.0	-49.71	405.31	7.44	-42.27
CCCC(NC(=O)C(C)OC1=CC(C)=CC=C1C(C)C)C1=NNN=N1	REAL000000002041	1	52	0.0	-13.76	408.75	7.46	-6.29
CCCC(NC(=O)C(C)OC1=CC(C)=CC=C1Cl)C1=NN=N[N-]1	REAL000000002042	0	42	-1.0	-51.38	362.79	6.01	-45.36
CCCC(NC(=O)C(C)OC1=CC(C)=CC=C1Cl)C1=N[N-]N=N1	REAL000000002042	1	42	-1.0	-51.38	362.73	6.00	-45.38
CCCC(NC(=O)C(C)OC1=CC(C)=CC=C1Cl)C1=NNN=N1	REAL000000002042	1	43	0.0	-15.66	366.17	6.02	-9.64
CCCC(NC(=O)C(C)OC1=CC=CC(C(C)C)=C1)C1=NN=N[N-]1	REAL000000002043	0	48	-1.0	-49.70	385.54	6.73	-42.98
CCCC(NC(=O)C(C)OC1=CC=CC(C(C)C)=C1)C1=N[N-]N=N1	REAL000000002043	1	48	-1.0	-49.71	385.48	6.72	-42.99
CCCC(NC(=O)C(C)OC1=CC=CC(C(C)C)=C1)C1=NNN=N1	REAL000000002043	1	49	0.0	-14.00	388.91	6.74	-7.27
CCCC(NC(=O)C1=CC(C)=C2C=CC=CC2=N1)C1=NN=N[N-]1	REAL000000002044	0	40	-1.0	-49.48	335.74	4.62	-44.86
CCCC(NC(=O)C1=CC(C)=C2C=CC=CC2=N1)C1=N[N-]N=N1	REAL000000002044	1	40	-1.0	-49.48	335.69	4.62	-44.85
CCCC(NC(=O)C1=CC(C)=C2C=CC=CC2=N1)C1=NNN=N1	REAL000000002044	1	41	0.0	-11.44	339.12	4.63	-6.81
CCCC(NC(=O)C1CCCN(C(=O)C2=CC(C)=CC(C)=C2)C1)C1=NN=N[N-]1	REAL000000002045	0	55	-1.0	-49.94	432.96	6.72	-43.21
CCCC(NC(=O)C1CCCN(C(=O)C2=CC(C)=CC(C)=C2)C1)C1=N[N-]N=N1	REAL000000002045	1	55	-1.0	-49.94	432.90	6.73	-43.21
CCCC(NC(=O)C1CCCN(C(=O)C2=CC(C)=CC(C)=C2)C1)C1=NNN=N1	REAL000000002045	1	56	0.0	-11.55	431.00	6.47	-5.07
CCCC(NC(=O)COC1=CC=CC(C#N)=C1)C1=NN=N[N-]1	REAL000000002046	0	37	-1.0	-51.82	328.73	4.62	-47.20
CCCC(NC(=O)COC1=CC=CC(C#N)=C1)C1=N[N-]N=N1	REAL000000002046	1	37	-1.0	-51.82	328.67	4.61	-47.21
CCCC(NC(=O)COC1=CC=CC(C#N)=C1)C1=NNN=N1	REAL000000002046	1	38	0.0	-18.31	332.13	4.62	-13.69
CCCC(NC(=O)C1=CC(S(=O)(=O)NCC)=CC=C1F)C1=NN=N[N-]1	REAL000000002047	0	43	-1.0	-53.46	376.51	0.76	-52.70
CCCC(NC(=O)C1=CC(S(=O)(=O)NCC)=CC=C1F)C1=N[N-]N=N1	REAL000000002047	1	43	-1.0	-53.45	376.45	0.76	-52.69
CCCC(NC(=O)C1=CC(S(=O)(=O)NCC)=CC=C1F)C1=NNN=N1	REAL000000002047	1	44	0.0	-17.07	379.89	0.77	-16.30
CCCC(NC(=O)C1=C(C)OC2=CC=C(OC)C=C21)C1=NN=N[N-]1	REAL000000002048	0	42	-1.0	-56.41	357.11	4.02	-52.39
CCCC(NC(=O)C1=C(C)OC2=CC=C(OC)C=C21)C1=N[N-]N=N1	REAL000000002048	1	42	-1.0	-56.42	357.06	4.01	-52.41
CCCC(NC(=O)C1=C(C)OC2=CC=C(OC)C=C21)C1=NNN=N1	REAL000000002048	1	43	0.0	-15.25	360.88	4.04	-11.21
CCCC(NC(=O)C1=NOC(C2=CC=NC=C2)=C1)C1=NN=N[N-]1	REAL000000002049	0	37	-1.0	-44.40	328.22	2.90	-41.49
CCCC(NC(=O)C1=NOC(C2=CC=NC=C2)=C1)C1=N[N-]N=N1	REAL000000002049	1	37	-1.0	-44.39	328.16	2.90	-41.50
CCCC(NC(=O)C1=NOC(C2=CC=NC=C2)=C1)C1=NNN=N1	REAL000000002049	1	38	0.0	-10.61	331.60	2.92	-7.69
CCCC(NC(=O)C1=CC=C(C2=CN=CO2)C=C1)C1=NN=N[N-]1	REAL000000002050	0	38	-1.0	-49.32	328.64	2.05	-47.28
CCCC(NC(=O)C1=CC=C(C2=CN=CO2)C=C1)C1=N[N-]N=N1	REAL000000002050	1	38	-1.0	-49.32	328.58	2.05	-47.28
CCCC(NC(=O)C1=CC=C(C2=CN=CO2)C=C1)C1=NNN=N1	REAL000000002050	1	39	0.0	-14.79	332.02	2.05	-12.74
CCCC(NC(=O)C1=CC=C(COC2=CC=CC=C2C#N)O1)C1=NN=N[N-]1	REAL000000002051	0	44	-1.0	-56.94	390.59	5.52	-51.42
CCCC(NC(=O)C1=CC=C(COC2=CC=CC=C2C#N)O1)C1=N[N-]N=N1	REAL000000002051	1	44	-1.0	-56.94	390.54	5.51	-51.43
CCCC(NC(=O)C1=CC=C(COC2=CC=CC=C2C#N)O1)C1=NNN=N1	REAL000000002051	1	45	0.0	-18.64	393.99	5.52	-13.12
CCCC(NC(=O)C1=CC=C(SC(C)C)C=C1)C1=NN=N[N-]1	REAL000000002052	0	42	-1.0	-45.99	352.13	6.04	-39.95
CCCC(NC(=O)C1=CC=C(SC(C)C)C=C1)C1=N[N-]N=N1	REAL000000002052	1	42	-1.0	-45.98	352.07	6.04	-39.94
CCCC(NC(=O)C1=CC=C(SC(C)C)C=C1)C1=NNN=N1	REAL000000002052	1	43	0.0	-11.01	355.51	6.04	-4.96
CCCC(NC(=O)C1=CC=C(SCC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000002053	0	46	-1.0	-47.10	395.77	8.54	-38.56
CCCC(NC(=O)C1=CC=C(SCC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000002053	1	46	-1.0	-47.10	395.71	8.53	-38.57
CCCC(NC(=O)C1=CC=C(SCC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000002053	1	47	0.0	-12.19	399.15	8.55	-3.64
CCCC(NC(=O)CSCC1=CC=CC=N1)C1=NN=N[N-]1	REAL000000002054	0	38	-1.0	-51.63	338.39	3.84	-47.79
CCCC(NC(=O)CSCC1=CC=CC=N1)C1=N[N-]N=N1	REAL000000002054	1	38	-1.0	-51.62	338.34	3.83	-47.79
CCCC(NC(=O)CSCC1=CC=CC=N1)C1=NNN=N1	REAL000000002054	1	39	0.0	-15.40	341.76	3.85	-11.55
CCCC(NC(=O)CSCC1=CC=NC=C1)C1=NN=N[N-]1	REAL000000002055	0	38	-1.0	-49.13	338.28	3.92	-45.21
CCCC(NC(=O)CSCC1=CC=NC=C1)C1=N[N-]N=N1	REAL000000002055	1	38	-1.0	-49.14	338.22	3.92	-45.22
CCCC(NC(=O)CSCC1=CC=NC=C1)C1=NNN=N1	REAL000000002055	1	39	0.0	-12.07	334.47	3.61	-8.46
CCCC(NC(=O)CN1N=C(C)C(Br)=C1C)C1=NN=N[N-]1	REAL000000002056	0	38	-1.0	-47.56	341.84	3.36	-44.20
CCCC(NC(=O)CN1N=C(C)C(Br)=C1C)C1=N[N-]N=N1	REAL000000002056	1	38	-1.0	-47.56	341.78	3.36	-44.20
CCCC(NC(=O)CN1N=C(C)C(Br)=C1C)C1=NNN=N1	REAL000000002056	1	39	0.0	-12.93	338.05	3.04	-9.89
CCCC(NC(=O)C1=CC=NC(N2C=CN=C2)=C1)C1=NN=N[N-]1	REAL000000002057	0	38	-1.0	-47.62	327.73	5.33	-42.29
CCCC(NC(=O)C1=CC=NC(N2C=CN=C2)=C1)C1=N[N-]N=N1	REAL000000002057	1	38	-1.0	-47.62	327.68	5.32	-42.30
CCCC(NC(=O)C1=CC=NC(N2C=CN=C2)=C1)C1=NNN=N1	REAL000000002057	1	39	0.0	-15.82	331.11	5.34	-10.48
CCCC(NC(=O)CCSCC1=CC=CC=N1)C1=NN=N[N-]1	REAL000000002058	0	41	-1.0	-46.60	360.06	4.64	-41.96
CCCC(NC(=O)CCSCC1=CC=CC=N1)C1=N[N-]N=N1	REAL000000002058	1	41	-1.0	-46.59	360.01	4.63	-41.96
CCCC(NC(=O)CCSCC1=CC=CC=N1)C1=NNN=N1	REAL000000002058	1	42	0.0	-12.92	363.44	4.65	-8.27
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(Cl)C=C2)C1)C1=NN=N[N-]1	REAL000000002059	0	43	-1.0	-47.11	369.87	5.11	-42.01
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(Cl)C=C2)C1)C1=N[N-]N=N1	REAL000000002059	1	43	-1.0	-47.10	369.82	5.10	-42.00
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(Cl)C=C2)C1)C1=NNN=N1	REAL000000002059	1	44	0.0	-12.18	366.57	4.79	-7.39
CCCC(NC(=O)C=CC1=CC(Cl)=CC=C1OC)C1=NN=N[N-]1	REAL000000002060	0	40	-1.0	-48.53	353.96	4.74	-43.79
CCCC(NC(=O)C=CC1=CC(Cl)=CC=C1OC)C1=N[N-]N=N1	REAL000000002060	1	40	-1.0	-48.53	353.91	4.73	-43.80
CCCC(NC(=O)C=CC1=CC(Cl)=CC=C1OC)C1=NNN=N1	REAL000000002060	1	41	0.0	-9.21	350.10	4.42	-4.79
CCCC(NC(=O)C1=CC2=CC=CC([N+](=O)[O-])=C2N1)C1=NN=N[N-]1	REAL000000002061	0	38	-1.0	-48.46	333.96	4.33	-44.13
CCCC(NC(=O)C1=CC2=CC=CC([N+](=O)[O-])=C2N1)C1=N[N-]N=N1	REAL000000002061	1	38	-1.0	-48.46	333.90	4.33	-44.12
CCCC(NC(=O)C1=CC2=CC=CC([N+](=O)[O-])=C2N1)C1=NNN=N1	REAL000000002061	1	39	0.0	-13.66	337.33	4.34	-9.32
CCCC(NC(=O)CCCC(=O)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000002062	0	47	-1.0	-57.26	391.40	5.07	-52.19
CCCC(NC(=O)CCCC(=O)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000002062	1	47	-1.0	-57.26	391.34	5.06	-52.20
CCCC(NC(=O)CCCC(=O)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000002062	1	48	0.0	-21.23	394.77	5.08	-16.16
CCCC(NC(=O)C(C)SC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL000000002063	0	39	-1.0	-48.02	348.95	5.70	-42.32
CCCC(NC(=O)C(C)SC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL000000002063	1	39	-1.0	-48.02	348.89	5.70	-42.32
CCCC(NC(=O)C(C)SC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000002063	1	40	0.0	-14.27	352.33	5.71	-8.56
CCCC(NC(=O)C(C)SC1=CC=C(NC(C)=O)C=C1)C1=NN=N[N-]1	REAL000000002064	0	46	-1.0	-55.07	391.97	4.12	-50.95
CCCC(NC(=O)C(C)SC1=CC=C(NC(C)=O)C=C1)C1=N[N-]N=N1	REAL000000002064	1	46	-1.0	-55.06	391.91	4.12	-50.94
CCCC(NC(=O)C(C)SC1=CC=C(NC(C)=O)C=C1)C1=NNN=N1	REAL000000002064	1	47	0.0	-14.19	393.32	4.09	-10.10
CCCC(NC(=O)C(C)SC1=CC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL000000002065	0	39	-1.0	-45.04	367.81	6.22	-38.82
CCCC(NC(=O)C(C)SC1=CC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL000000002065	1	39	-1.0	-45.04	367.76	6.22	-38.82
CCCC(NC(=O)C(C)SC1=CC(Cl)=CC=C1Cl)C1=NNN=N1	REAL000000002065	1	40	0.0	-8.50	362.12	5.91	-2.59
CCCC(NC(=O)C(C)SC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000002066	0	43	-1.0	-46.28	365.60	4.54	-41.74
CCCC(NC(=O)C(C)SC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000002066	1	43	-1.0	-46.27	365.55	4.53	-41.74
CCCC(NC(=O)C(C)SC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000002066	1	44	0.0	-12.29	368.94	4.56	-7.73
CCCC(NC(=O)CCCOC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000002067	0	42	-1.0	-47.75	367.07	5.25	-42.50
CCCC(NC(=O)CCCOC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000002067	1	42	-1.0	-47.75	367.02	5.24	-42.50
CCCC(NC(=O)CCCOC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000002067	1	43	0.0	-13.40	370.45	5.26	-8.14
CCCC(NC(=O)CCOC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL000000002068	0	39	-1.0	-44.62	349.26	4.64	-39.98
CCCC(NC(=O)CCOC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL000000002068	1	39	-1.0	-44.62	349.21	4.64	-39.98
CCCC(NC(=O)CCOC1=CC=CC=C1Br)C1=NNN=N1	REAL000000002068	1	40	0.0	-10.92	352.64	4.65	-6.27
CCCC(NC(=O)CCOC1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL000000002069	0	39	-1.0	-42.56	361.61	5.04	-37.52
CCCC(NC(=O)CCOC1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL000000002069	1	39	-1.0	-42.55	361.55	5.04	-37.51
CCCC(NC(=O)CCOC1=CC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000002069	1	40	0.0	-9.92	364.98	5.05	-4.87
CCCC(NC(=O)C1CCCN(C(=O)NC2=CC=CC(C)=C2)C1)C1=NN=N[N-]1	REAL000000002070	0	54	-1.0	-50.23	426.70	5.99	-44.24
CCCC(NC(=O)C1CCCN(C(=O)NC2=CC=CC(C)=C2)C1)C1=N[N-]N=N1	REAL000000002070	1	54	-1.0	-50.22	426.65	5.99	-44.23
CCCC(NC(=O)C1CCCN(C(=O)NC2=CC=CC(C)=C2)C1)C1=NNN=N1	REAL000000002070	1	55	0.0	-12.89	422.89	5.67	-7.22
CCCC(NC(=O)CC1CCCC(C(F)(F)F)C1)C1=NN=N[N-]1	REAL000000002071	0	44	-1.0	-44.24	349.18	5.28	-38.96
CCCC(NC(=O)CC1CCCC(C(F)(F)F)C1)C1=N[N-]N=N1	REAL000000002071	1	44	-1.0	-44.25	349.12	5.27	-38.97
CCCC(NC(=O)CC1CCCC(C(F)(F)F)C1)C1=NNN=N1	REAL000000002071	1	45	0.0	-9.72	359.57	5.52	-4.19
CCCC(NC(=O)CC1=C(C)N(C2=CC=CC=N2)N=C1C)C1=NN=N[N-]1	REAL000000002072	0	47	-1.0	-54.42	392.37	6.11	-48.31
CCCC(NC(=O)CC1=C(C)N(C2=CC=CC=N2)N=C1C)C1=N[N-]N=N1	REAL000000002072	1	47	-1.0	-54.41	392.31	6.12	-48.30
CCCC(NC(=O)CC1=C(C)N(C2=CC=CC=N2)N=C1C)C1=NNN=N1	REAL000000002072	1	48	0.0	-18.91	395.74	6.12	-12.79
CCCC(NC(=O)CCC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL000000002073	0	38	-1.0	-47.05	336.57	5.57	-41.48
CCCC(NC(=O)CCC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL000000002073	1	38	-1.0	-47.05	336.51	5.56	-41.49
CCCC(NC(=O)CCC1=CC=CC=C1Br)C1=NNN=N1	REAL000000002073	1	39	0.0	-9.83	339.94	5.58	-4.25
CCCC(NC(=O)C1=CC=C(Br)C=C1Cl)C1=NN=N[N-]1	REAL000000002074	0	32	-1.0	-44.67	308.16	4.78	-39.89
CCCC(NC(=O)C1=CC=C(Br)C=C1Cl)C1=N[N-]N=N1	REAL000000002074	1	32	-1.0	-44.66	308.10	4.78	-39.89
CCCC(NC(=O)C1=CC=C(Br)C=C1Cl)C1=NNN=N1	REAL000000002074	1	33	0.0	-10.84	311.54	4.79	-6.05
CCCC(NC(=O)C1=CC=C(Br)C=C1C)C1=NN=N[N-]1	REAL000000002075	0	35	-1.0	-43.32	311.70	4.95	-38.37
CCCC(NC(=O)C1=CC=C(Br)C=C1C)C1=N[N-]N=N1	REAL000000002075	1	35	-1.0	-43.31	311.65	4.95	-38.36
CCCC(NC(=O)C1=CC=C(Br)C=C1C)C1=NNN=N1	REAL000000002075	1	36	0.0	-8.96	315.07	4.96	-4.00
CCCC(NC(=O)CCCC1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL000000002076	0	41	-1.0	-46.71	373.79	6.88	-39.82
CCCC(NC(=O)CCCC1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL000000002076	1	41	-1.0	-46.70	373.74	6.88	-39.83
CCCC(NC(=O)CCCC1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000002076	1	42	0.0	-10.24	369.98	6.56	-3.68
CCCC(NC(=O)C(C)N1C=C(Br)C=N1)C1=NN=N[N-]1	REAL000000002077	0	35	-1.0	-45.70	319.39	2.85	-42.84
CCCC(NC(=O)C(C)N1C=C(Br)C=N1)C1=N[N-]N=N1	REAL000000002077	1	35	-1.0	-45.68	319.34	2.86	-42.82
CCCC(NC(=O)C(C)N1C=C(Br)C=N1)C1=NNN=N1	REAL000000002077	1	36	0.0	-13.40	322.78	2.86	-10.53
CCCC(NC(=O)C1=CC=C(NC(=O)NC(C)C)C=C1)C1=NN=N[N-]1	REAL000000002078	0	47	-1.0	-54.26	387.28	2.88	-51.38
CCCC(NC(=O)C1=CC=C(NC(=O)NC(C)C)C=C1)C1=N[N-]N=N1	REAL000000002078	1	47	-1.0	-54.26	387.23	2.88	-51.38
CCCC(NC(=O)C1=CC=C(NC(=O)NC(C)C)C=C1)C1=NNN=N1	REAL000000002078	1	48	0.0	-18.94	390.96	2.85	-16.09
CCCC(NC(=O)CN1N=C(C2=CC=CC=C2)C=CC1=O)C1=NN=N[N-]1	REAL000000002079	0	44	-1.0	-54.80	375.25	4.76	-50.04
CCCC(NC(=O)CN1N=C(C2=CC=CC=C2)C=CC1=O)C1=N[N-]N=N1	REAL000000002079	1	44	-1.0	-54.81	375.20	4.75	-50.07
CCCC(NC(=O)CN1N=C(C2=CC=CC=C2)C=CC1=O)C1=NNN=N1	REAL000000002079	1	45	0.0	-19.23	378.63	4.76	-14.47
CCCC(NC(=O)C1=CC=C2C(=O)N(C(C)C)S(=O)(=O)C2=C1)C1=NN=N[N-]1	REAL000000002080	0	46	-1.0	-49.63	394.57	1.60	-48.03
CCCC(NC(=O)C1=CC=C2C(=O)N(C(C)C)S(=O)(=O)C2=C1)C1=N[N-]N=N1	REAL000000002080	1	46	-1.0	-49.64	394.51	1.60	-48.03
CCCC(NC(=O)C1=CC=C2C(=O)N(C(C)C)S(=O)(=O)C2=C1)C1=NNN=N1	REAL000000002080	1	47	0.0	-14.27	390.76	1.29	-12.99
CCCC(NC(=O)C1=CC=C2C(=O)N(C3CC3)S(=O)(=O)C2=C1)C1=NN=N[N-]1	REAL000000002081	0	44	-1.0	-49.90	383.82	1.71	-48.18
CCCC(NC(=O)C1=CC=C2C(=O)N(C3CC3)S(=O)(=O)C2=C1)C1=N[N-]N=N1	REAL000000002081	1	44	-1.0	-49.90	383.76	1.71	-48.19
CCCC(NC(=O)C1=CC=C2C(=O)N(C3CC3)S(=O)(=O)C2=C1)C1=NNN=N1	REAL000000002081	1	45	0.0	-18.23	387.20	1.72	-16.51
CCCC(NC(=O)COC1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL000000002082	0	40	-1.0	-52.02	337.39	3.53	-48.49
CCCC(NC(=O)COC1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL000000002082	1	40	-1.0	-52.02	337.33	3.52	-48.50
CCCC(NC(=O)COC1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000002082	1	41	0.0	-16.86	340.77	3.54	-13.32
CCCC(NC(=O)C1=CC2=CC=C(OC(F)(F)F)C=C2N1)C1=NN=N[N-]1	REAL000000002083	0	40	-1.0	-43.33	354.00	3.36	-39.98
CCCC(NC(=O)C1=CC2=CC=C(OC(F)(F)F)C=C2N1)C1=N[N-]N=N1	REAL000000002083	1	40	-1.0	-43.34	353.94	3.36	-39.98
CCCC(NC(=O)C1=CC2=CC=C(OC(F)(F)F)C=C2N1)C1=NNN=N1	REAL000000002083	1	41	0.0	-10.50	357.37	3.36	-7.14
CCCC(NC(=O)C1=CNC(C(=O)N2CCCC2)=C1)C1=NN=N[N-]1	REAL000000002084	0	44	-1.0	-59.48	360.50	3.01	-56.47
CCCC(NC(=O)C1=CNC(C(=O)N2CCCC2)=C1)C1=N[N-]N=N1	REAL000000002084	1	44	-1.0	-59.48	360.45	3.02	-56.46
CCCC(NC(=O)C1=CNC(C(=O)N2CCCC2)=C1)C1=NNN=N1	REAL000000002084	1	45	0.0	-23.88	363.88	3.02	-20.86
CCCC(NC(=O)CCCNC(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002085	0	49	-1.0	-48.50	413.87	3.84	-44.66
CCCC(NC(=O)CCCNC(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002085	1	49	-1.0	-48.49	413.81	3.84	-44.65
CCCC(NC(=O)CCCNC(=O)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000002085	1	50	0.0	-14.75	417.25	3.85	-10.90
CCCC(NC(=O)C1=CC=CC(NC(=O)C2=CC=CO2)=C1)C1=NN=N[N-]1	REAL000000002086	0	43	-1.0	-61.66	370.64	3.67	-57.99
CCCC(NC(=O)C1=CC=CC(NC(=O)C2=CC=CO2)=C1)C1=N[N-]N=N1	REAL000000002086	1	43	-1.0	-61.67	370.58	3.66	-58.01
CCCC(NC(=O)C1=CC=CC(NC(=O)C2=CC=CO2)=C1)C1=NNN=N1	REAL000000002086	1	44	0.0	-21.13	373.74	3.69	-17.44
CCCC(NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C1=NN=N[N-]1	REAL000000002087	0	54	0.0	-70.92	413.88	6.41	-64.51
CCCC(NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C1=N[N-]N=N1	REAL000000002087	1	54	0.0	-70.93	413.82	6.42	-64.51
CCCC(NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C1=NNN=N1	REAL000000002087	1	55	1.0	-45.06	417.25	6.43	-38.63
CCCC(NC(=O)CCC(=O)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL000000002088	0	40	-1.0	-45.03	351.55	5.11	-39.92
CCCC(NC(=O)CCC(=O)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL000000002088	1	40	-1.0	-45.03	351.49	5.10	-39.93
CCCC(NC(=O)CCC(=O)C1=CC=C(F)C=C1F)C1=NNN=N1	REAL000000002088	1	41	0.0	-12.92	354.93	5.12	-7.80
CCCC(NC(=O)C1=CC(C)=NC2=CC(C)=NN21)C1=NN=N[N-]1	REAL000000002089	0	40	-1.0	-47.37	338.23	4.05	-43.32
CCCC(NC(=O)C1=CC(C)=NC2=CC(C)=NN21)C1=N[N-]N=N1	REAL000000002089	1	40	-1.0	-47.37	338.17	4.05	-43.32
CCCC(NC(=O)C1=CC(C)=NC2=CC(C)=NN21)C1=NNN=N1	REAL000000002089	1	41	0.0	-10.86	334.41	3.74	-7.13
CCCC(NC(=O)CS(=O)(=O)NC1=CC=C(OC(C)C)C=C1)C1=NN=N[N-]1	REAL000000002090	0	50	-1.0	-55.87	424.18	1.35	-54.52
CCCC(NC(=O)CS(=O)(=O)NC1=CC=C(OC(C)C)C=C1)C1=N[N-]N=N1	REAL000000002090	1	50	-1.0	-55.86	424.12	1.35	-54.51
CCCC(NC(=O)CS(=O)(=O)NC1=CC=C(OC(C)C)C=C1)C1=NNN=N1	REAL000000002090	1	51	0.0	-22.05	426.97	1.35	-20.70
CCCC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1=NN=N[N-]1	REAL000000002091	0	55	0.0	-75.72	425.94	4.74	-70.98
CCCC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1=N[N-]N=N1	REAL000000002091	1	55	0.0	-75.71	425.88	4.73	-70.99
CCCC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1=NNN=N1	REAL000000002091	1	56	1.0	-49.49	429.32	4.75	-44.74
CCCC(NC(=O)C1=C2N=CNC2=CC(F)=C1)C1=NN=N[N-]1	REAL000000002092	0	35	-1.0	-55.42	305.93	3.52	-51.90
CCCC(NC(=O)C1=C2N=CNC2=CC(F)=C1)C1=N[N-]N=N1	REAL000000002092	1	35	-1.0	-55.41	305.88	3.52	-51.90
CCCC(NC(=O)C1=CC=C(C2=CC(Cl)=CC(Cl)=C2)S1)C1=NN=N[N-]1	REAL000000002093	0	39	-1.0	-44.37	377.93	7.35	-37.02
CCCC(NC(=O)C1=CC=C(C2=CC(Cl)=CC(Cl)=C2)S1)C1=N[N-]N=N1	REAL000000002093	1	39	-1.0	-44.37	377.87	7.35	-37.02
CCCC(NC(=O)C1=CC=C(C2=CC(Cl)=CC(Cl)=C2)S1)C1=NNN=N1	REAL000000002093	1	40	0.0	-9.52	381.31	7.36	-2.16
CCCC(NC(=O)CCCC1=NC(CC)=NO1)C1=NN=N[N-]1	REAL000000002094	0	42	-1.0	-51.73	354.93	2.12	-49.61
CCCC(NC(=O)CCCC1=NC(CC)=NO1)C1=N[N-]N=N1	REAL000000002094	1	42	-1.0	-51.72	354.88	2.12	-49.61
CCCC(NC(=O)CCCC1=NC(CC)=NO1)C1=NNN=N1	REAL000000002094	1	43	0.0	-16.71	358.31	2.12	-14.59
CCCC1=NOC(CCCC(=O)NC(CCC)C2=NN=N[N-]2)=N1	REAL000000002095	0	45	-1.0	-51.61	376.43	2.90	-48.71
CCCC1=NOC(CCCC(=O)NC(CCC)C2=N[N-]N=N2)=N1	REAL000000002095	1	45	-1.0	-51.61	376.38	2.90	-48.70
CCCC1=NOC(CCCC(=O)NC(CCC)C2=NNN=N2)=N1	REAL000000002095	1	46	0.0	-16.51	379.81	2.91	-13.59
CCCCC1=CC=C(C(=O)CCC(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000002096	0	52	-1.0	-44.55	426.48	7.95	-36.60
CCCCC1=CC=C(C(=O)CCC(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000002096	1	52	-1.0	-44.55	426.43	7.95	-36.59
CCCCC1=CC=C(C(=O)CCC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000002096	1	53	0.0	-8.79	422.69	7.64	-1.15
CCCC(NC(=O)C1=C(C)N(C2=CC=C(Cl)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000002097	0	46	-1.0	-47.56	394.42	8.00	-39.56
CCCC(NC(=O)C1=C(C)N(C2=CC=C(Cl)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000002097	1	46	-1.0	-47.55	394.36	8.00	-39.56
CCCC(NC(=O)C1=C(C)N(C2=CC=C(Cl)C=C2)C(C)=C1)C1=NNN=N1	REAL000000002097	1	47	0.0	-7.91	390.61	7.67	-0.24
CCCC(NC(=O)C1=C(CC)C(C(C)=O)=C(C)N1)C1=NN=N[N-]1	REAL000000002098	0	44	-1.0	-51.18	367.98	4.01	-47.17
CCCC(NC(=O)C1=C(CC)C(C(C)=O)=C(C)N1)C1=N[N-]N=N1	REAL000000002098	1	44	-1.0	-51.17	367.93	4.00	-47.17
CCCC(NC(=O)C1=C(CC)C(C(C)=O)=C(C)N1)C1=NNN=N1	REAL000000002098	1	45	0.0	-11.98	364.14	3.68	-8.30
CCCC(NC(=O)CN(C)C(=O)C1=CC=C(Br)O1)C1=NN=N[N-]1	REAL000000002099	0	39	-1.0	-47.65	356.25	3.30	-44.34
CCCC(NC(=O)CN(C)C(=O)C1=CC=C(Br)O1)C1=N[N-]N=N1	REAL000000002099	1	39	-1.0	-47.65	356.20	3.30	-44.35
CCCC(NC(=O)CN(C)C(=O)C1=CC=C(Br)O1)C1=NNN=N1	REAL000000002099	1	40	0.0	-16.01	359.62	3.31	-12.70
CCCC(NC(=O)C1=CC2=C(N=C(N(C)C)S2)S1)C1=NN=N[N-]1	REAL000000002100	0	39	-1.0	-48.04	355.36	3.95	-44.09
CCCC(NC(=O)C1=CC2=C(N=C(N(C)C)S2)S1)C1=N[N-]N=N1	REAL000000002100	1	39	-1.0	-48.05	355.31	3.95	-44.10
CCCC(NC(=O)C1=CC2=C(N=C(N(C)C)S2)S1)C1=NNN=N1	REAL000000002100	1	40	0.0	-12.33	358.45	4.04	-8.30
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(C)=C2)N=N1)C1=NN=N[N-]1	REAL000000002101	0	44	-1.0	-47.06	369.64	4.51	-42.55
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(C)=C2)N=N1)C1=N[N-]N=N1	REAL000000002101	1	44	-1.0	-47.05	369.59	4.50	-42.55
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(C)=C2)N=N1)C1=NNN=N1	REAL000000002101	1	45	0.0	-10.43	364.24	4.14	-6.29
CCCC(NC(=O)CCN1C=C(Br)C=N1)C1=NN=N[N-]1	REAL000000002102	0	35	-1.0	-44.36	323.06	2.92	-41.44
CCCC(NC(=O)CCN1C=C(Br)C=N1)C1=N[N-]N=N1	REAL000000002102	1	35	-1.0	-44.36	323.01	2.92	-41.44
CCCC(NC(=O)CCN1C=C(Br)C=N1)C1=NNN=N1	REAL000000002102	1	36	0.0	-8.26	319.22	2.60	-5.66
CCCC(NC(=O)CN1C=C(C(N)=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000002103	0	43	-1.0	-54.47	367.64	2.52	-51.95
CCCC(NC(=O)CN1C=C(C(N)=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000002103	1	43	-1.0	-54.47	367.58	2.51	-51.96
CCCC(NC(=O)CN1C=C(C(N)=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000002103	1	44	0.0	-24.77	371.02	2.53	-22.24
CCCC(NC(=O)C1=CC2=C(N=C(N(CC)CC)S2)S1)C1=NN=N[N-]1	REAL000000002104	0	45	-1.0	-47.76	398.70	5.93	-41.83
CCCC(NC(=O)C1=CC2=C(N=C(N(CC)CC)S2)S1)C1=N[N-]N=N1	REAL000000002104	1	45	-1.0	-47.75	398.64	5.93	-41.82
CCCC(NC(=O)C1=CC2=C(N=C(N(CC)CC)S2)S1)C1=NNN=N1	REAL000000002104	1	46	0.0	-11.98	402.07	5.94	-6.04
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1F)C1=NN=N[N-]1	REAL000000002105	0	34	-1.0	-46.49	307.07	4.39	-42.09
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1F)C1=N[N-]N=N1	REAL000000002105	1	34	-1.0	-46.48	307.01	4.39	-42.08
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1F)C1=NNN=N1	REAL000000002105	1	35	0.0	-15.17	310.45	4.40	-10.77
CCCC(NC(=O)CS(=O)(=O)NC(C)(C)C)C1=NN=N[N-]1	REAL000000002106	0	42	-1.0	-56.08	343.43	-0.92	-57.00
CCCC(NC(=O)CS(=O)(=O)NC(C)(C)C)C1=N[N-]N=N1	REAL000000002106	1	42	-1.0	-56.09	343.38	-0.93	-57.02
CCCC(NC(=O)CS(=O)(=O)NC(C)(C)C)C1=NNN=N1	REAL000000002106	1	43	0.0	-21.39	346.78	-1.02	-22.40
CCCC(NC(=O)CCCS(=O)(=O)N1CCCC1)C1=NN=N[N-]1	REAL000000002107	0	46	-1.0	-56.67	384.68	1.34	-55.33
CCCC(NC(=O)CCCS(=O)(=O)N1CCCC1)C1=N[N-]N=N1	REAL000000002107	1	46	-1.0	-56.66	384.62	1.34	-55.32
CCCC(NC(=O)CCCS(=O)(=O)N1CCCC1)C1=NNN=N1	REAL000000002107	1	47	0.0	-21.62	388.05	1.35	-20.27
CCCC(NC(=O)CN(C)C(=O)C(C)N1C=CC=N1)C1=NN=N[N-]1	REAL000000002108	0	45	-1.0	-50.55	370.08	2.63	-47.92
CCCC(NC(=O)CN(C)C(=O)C(C)N1C=CC=N1)C1=N[N-]N=N1	REAL000000002108	1	45	-1.0	-50.54	370.01	2.63	-47.90
CCCC(NC(=O)CN(C)C(=O)C(C)N1C=CC=N1)C1=NNN=N1	REAL000000002108	1	46	0.0	-19.82	373.45	2.64	-17.18
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000002109	0	40	-1.0	-42.86	342.84	3.97	-38.88
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000002109	1	40	-1.0	-42.85	342.78	3.98	-38.88
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2)C1)C1=NNN=N1	REAL000000002109	1	41	0.0	-9.11	346.22	3.98	-5.13
CCCC(NC(=O)C1=CC=C(N2N=CC(C#N)=C2N)C=C1)C1=NN=N[N-]1	REAL000000002110	0	42	-1.0	-49.65	366.17	4.24	-45.40
CCCC(NC(=O)C1=CC=C(N2N=CC(C#N)=C2N)C=C1)C1=N[N-]N=N1	REAL000000002110	1	42	-1.0	-49.65	366.11	4.24	-45.42
CCCC(NC(=O)C1=CC=C(N2N=CC(C#N)=C2N)C=C1)C1=NNN=N1	REAL000000002110	1	43	0.0	-16.38	369.55	4.25	-12.12
CCCC(NC(=O)CC1=CC=C(F)C(Br)=C1)C1=NN=N[N-]1	REAL000000002111	0	35	-1.0	-44.75	325.99	4.99	-39.76
CCCC(NC(=O)CC1=CC=C(F)C(Br)=C1)C1=N[N-]N=N1	REAL000000002111	1	35	-1.0	-44.75	325.93	4.98	-39.78
CCCC(NC(=O)CC1=CC=C(F)C(Br)=C1)C1=NNN=N1	REAL000000002111	1	36	0.0	-12.85	329.37	5.00	-7.85
CCCC(NC(=O)C1=CN=C(OC(C)C)C(Cl)=C1)C1=NN=N[N-]1	REAL000000002112	0	41	-1.0	-43.42	359.51	2.78	-40.64
CCCC(NC(=O)C1=CN=C(OC(C)C)C(Cl)=C1)C1=N[N-]N=N1	REAL000000002112	1	41	-1.0	-43.42	359.46	2.79	-40.63
CCCC(NC(=O)C1=CN=C(OC(C)C)C(Cl)=C1)C1=NNN=N1	REAL000000002112	1	42	0.0	-7.83	355.68	2.46	-5.36
CCCC(NC(=O)CCC1=CC=C2C=CC=CC2=C1)C1=NN=N[N-]1	REAL000000002113	0	44	-1.0	-46.20	366.50	7.35	-38.85
CCCC(NC(=O)CCC1=CC=C2C=CC=CC2=C1)C1=N[N-]N=N1	REAL000000002113	1	44	-1.0	-46.20	366.44	7.35	-38.85
CCCC(NC(=O)CCC1=CC=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000002113	1	45	0.0	-11.50	369.87	7.36	-4.14
CCCC(NC(=O)C1=CC(F)=CC2=C1NC(=S)N2)C1=NN=N[N-]1	REAL000000002114	0	36	-1.0	-49.84	326.40	3.53	-46.31
CCCC(NC(=O)C1=CC(F)=CC2=C1NC(=S)N2)C1=N[N-]N=N1	REAL000000002114	1	36	-1.0	-49.83	326.34	3.53	-46.29
CCCC(NC(=O)C1=CC(F)=CC2=C1NC(=S)N2)C1=NNN=N1	REAL000000002114	1	37	0.0	-14.85	322.60	3.21	-11.64
CCCC(NC(=O)CNC(=O)NC1CCCCC1)C1=NN=N[N-]1	REAL000000002115	0	47	-1.0	-44.74	376.24	1.25	-43.49
CCCC(NC(=O)CNC(=O)NC1CCCCC1)C1=N[N-]N=N1	REAL000000002115	1	47	-1.0	-44.74	376.18	1.24	-43.50
CCCC(NC(=O)CNC(=O)NC1CCCCC1)C1=NNN=N1	REAL000000002115	1	48	0.0	-12.14	379.61	1.26	-10.88
CCCC(NC(=O)CCC(=O)N1CCC2=C(C=CS2)C1)C1=NN=N[N-]1	REAL000000002116	0	46	-1.0	-45.64	386.94	4.95	-40.69
CCCC(NC(=O)CCC(=O)N1CCC2=C(C=CS2)C1)C1=N[N-]N=N1	REAL000000002116	1	46	-1.0	-45.63	386.88	4.94	-40.69
CCCC(NC(=O)CCC(=O)N1CCC2=C(C=CS2)C1)C1=NNN=N1	REAL000000002116	1	47	0.0	-10.09	383.09	4.63	-5.47
CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2)N=C1)C1=NN=N[N-]1	REAL000000002117	0	39	-1.0	-46.90	352.05	5.30	-41.60
CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2)N=C1)C1=N[N-]N=N1	REAL000000002117	1	39	-1.0	-46.90	352.00	5.31	-41.59
CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2)N=C1)C1=NNN=N1	REAL000000002117	1	40	0.0	-12.42	355.43	5.31	-7.10
CCCC(C)N1CC(C(=O)NC(CCC)C2=NN=N[N-]2)CC1=O	REAL000000002118	0	48	-1.0	-43.95	380.79	4.67	-39.28
CCCC(C)N1CC(C(=O)NC(CCC)C2=N[N-]N=N2)CC1=O	REAL000000002118	1	48	-1.0	-43.94	380.73	4.66	-39.28
CCCC(C)N1CC(C(=O)NC(CCC)C2=NNN=N2)CC1=O	REAL000000002118	1	49	0.0	-14.07	384.17	4.68	-9.39
CCCC(NC(=O)C1=C(C)N(C2=CC=C(C)C=C2)N=N1)C1=NN=N[N-]1	REAL000000002119	0	44	-1.0	-46.04	369.63	4.51	-41.53
CCCC(NC(=O)C1=C(C)N(C2=CC=C(C)C=C2)N=N1)C1=N[N-]N=N1	REAL000000002119	1	44	-1.0	-46.04	369.57	4.50	-41.54
CCCC(NC(=O)C1=C(C)N(C2=CC=C(C)C=C2)N=N1)C1=NNN=N1	REAL000000002119	1	45	0.0	-11.41	371.45	4.48	-6.93
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(Cl)=C2)N=N1)C1=NN=N[N-]1	REAL000000002120	0	41	-1.0	-46.95	364.97	4.35	-42.60
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(Cl)=C2)N=N1)C1=N[N-]N=N1	REAL000000002120	1	41	-1.0	-46.95	364.91	4.35	-42.59
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(Cl)=C2)N=N1)C1=NNN=N1	REAL000000002120	1	42	0.0	-12.13	368.34	4.36	-7.77
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL000000002121	0	41	-1.0	-46.48	348.23	3.84	-42.64
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL000000002121	1	41	-1.0	-46.47	348.17	3.84	-42.64
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2)N=N1)C1=NNN=N1	REAL000000002121	1	42	0.0	-11.77	350.06	3.81	-7.96
CCCC(=O)N1CCCC(C(=O)NC(CCC)C2=NN=N[N-]2)C1	REAL000000002122	0	48	-1.0	-51.62	377.21	4.26	-47.35
CCCC(=O)N1CCCC(C(=O)NC(CCC)C2=N[N-]N=N2)C1	REAL000000002122	1	48	-1.0	-51.62	377.15	4.26	-47.36
CCCC(=O)N1CCCC(C(=O)NC(CCC)C2=NNN=N2)C1	REAL000000002122	1	49	0.0	-16.68	380.59	4.27	-12.40
CCCC(NC(=O)C1=CC=C2C(=O)N(CC)S(=O)(=O)C2=C1)C1=NN=N[N-]1	REAL000000002123	0	43	-1.0	-49.78	378.95	1.01	-48.77
CCCC(NC(=O)C1=CC=C2C(=O)N(CC)S(=O)(=O)C2=C1)C1=N[N-]N=N1	REAL000000002123	1	43	-1.0	-49.78	378.89	1.00	-48.78
CCCC(NC(=O)C1=CC=C2C(=O)N(CC)S(=O)(=O)C2=C1)C1=NNN=N1	REAL000000002123	1	44	0.0	-18.03	382.32	1.02	-17.02
CCCC(NC(=O)C1=C(Br)C(C)=NN1)C1=NN=N[N-]1	REAL000000002124	0	32	-1.0	-43.20	296.79	1.33	-41.87
CCCC(NC(=O)C1=C(Br)C(C)=NN1)C1=N[N-]N=N1	REAL000000002124	1	32	-1.0	-43.20	296.73	1.32	-41.87
CCCC(NC(=O)C1=C(Br)C(C)=NN1)C1=NNN=N1	REAL000000002124	1	33	0.0	-10.88	300.14	1.34	-9.54
CCCC(NC(=O)C1=CC=CC(NC(=O)NC2CC2)=C1)C1=NN=N[N-]1	REAL000000002125	0	45	-1.0	-62.64	377.19	2.90	-59.74
CCCC(NC(=O)C1=CC=CC(NC(=O)NC2CC2)=C1)C1=N[N-]N=N1	REAL000000002125	1	45	-1.0	-62.64	377.13	2.89	-59.75
CCCC(NC(=O)C1=CC=CC(NC(=O)NC2CC2)=C1)C1=NNN=N1	REAL000000002125	1	46	0.0	-21.50	380.56	2.91	-18.59
CCCC(NC(=O)C1CCCN(S(=O)(=O)CC)C1)C1=NN=N[N-]1	REAL000000002126	0	46	-1.0	-53.13	375.89	1.22	-51.91
CCCC(NC(=O)C1CCCN(S(=O)(=O)CC)C1)C1=N[N-]N=N1	REAL000000002126	1	46	-1.0	-53.13	375.84	1.21	-51.92
CCCC(NC(=O)C1CCCN(S(=O)(=O)CC)C1)C1=NNN=N1	REAL000000002126	1	47	0.0	-14.86	379.28	1.23	-13.63
CCCC(NC(=O)CN(C)C1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL000000002127	0	42	-1.0	-56.71	366.18	5.38	-51.33
CCCC(NC(=O)CN(C)C1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL000000002127	1	42	-1.0	-56.70	366.13	5.38	-51.32
CCCC(NC(=O)CN(C)C1=NC2=CC=CC=C2S1)C1=NNN=N1	REAL000000002127	1	43	0.0	-13.12	362.37	5.07	-8.06
CCCC(NC(=O)C1=CC=C(N2CCNC2=O)C(C)=C1)C1=NN=N[N-]1	REAL000000002128	0	45	-1.0	-52.85	373.11	3.55	-49.30
CCCC(NC(=O)C1=CC=C(N2CCNC2=O)C(C)=C1)C1=N[N-]N=N1	REAL000000002128	1	45	-1.0	-52.86	373.06	3.56	-49.30
CCCC(NC(=O)C1=CC=C(N2CCNC2=O)C(C)=C1)C1=NNN=N1	REAL000000002128	1	46	0.0	-18.42	376.51	3.57	-14.85
CCCC(NC(=O)C=CC1=CC=C2N=CC=CC2=C1)C1=NN=N[N-]1	REAL000000002129	0	41	-1.0	-48.88	350.04	5.21	-43.67
CCCC(NC(=O)C=CC1=CC=C2N=CC=CC2=C1)C1=N[N-]N=N1	REAL000000002129	1	41	-1.0	-48.88	349.98	5.20	-43.68
CCCC(NC(=O)C=CC1=CC=C2N=CC=CC2=C1)C1=NNN=N1	REAL000000002129	1	42	0.0	-14.16	353.41	5.22	-8.94
CCCC(NC(=O)C1=CC=CC(NC(=O)CCN2C=CN=C2)=C1)C1=NN=N[N-]1	REAL000000002130	0	49	-1.0	-61.56	412.91	5.92	-55.64
CCCC(NC(=O)C1=CC=CC(NC(=O)CCN2C=CN=C2)=C1)C1=N[N-]N=N1	REAL000000002130	1	49	-1.0	-61.57	412.85	5.91	-55.66
CCCC(NC(=O)C1=CN=C2ON=C(CC)C2=C1)C1=NN=N[N-]1	REAL000000002131	0	39	-1.0	-43.24	334.27	1.82	-41.41
CCCC(NC(=O)C1=CN=C2ON=C(CC)C2=C1)C1=N[N-]N=N1	REAL000000002131	1	39	-1.0	-43.23	334.21	1.82	-41.40
CCCC(NC(=O)C1=CN=C2ON=C(CC)C2=C1)C1=NNN=N1	REAL000000002131	1	40	0.0	-12.64	337.65	1.83	-10.81
CCCC(NC(=O)C1=CC=C2C(C)=NN(C3=CC=CC=C3)C2=N1)C1=NN=N[N-]1	REAL000000002132	0	47	-1.0	-49.98	399.84	6.93	-43.05
CCCC(NC(=O)C1=CC=C2C(C)=NN(C3=CC=CC=C3)C2=N1)C1=N[N-]N=N1	REAL000000002132	1	47	-1.0	-49.98	399.78	6.92	-43.06
CCCC(NC(=O)C1=CC=C2C(C)=NN(C3=CC=CC=C3)C2=N1)C1=NNN=N1	REAL000000002132	1	48	0.0	-14.02	403.23	6.94	-7.09
CCCC(NC(=O)C1=C(C)C2=CC(F)=CC=C2S1)C1=NN=N[N-]1	REAL000000002133	0	38	-1.0	-44.30	334.47	5.73	-38.57
CCCC(NC(=O)C1=C(C)C2=CC(F)=CC=C2S1)C1=N[N-]N=N1	REAL000000002133	1	38	-1.0	-44.30	334.41	5.74	-38.56
CCCC(NC(=O)C1=C(C)C2=CC(F)=CC=C2S1)C1=NNN=N1	REAL000000002133	1	39	0.0	-9.41	337.85	5.74	-3.67
CCCC(NC(=O)CSCC1=CC=CN=C1)C1=NN=N[N-]1	REAL000000002134	0	38	-1.0	-50.27	338.24	3.91	-46.36
CCCC(NC(=O)CSCC1=CC=CN=C1)C1=N[N-]N=N1	REAL000000002134	1	38	-1.0	-50.27	338.18	3.90	-46.37
CCCC(NC(=O)CSCC1=CC=CN=C1)C1=NNN=N1	REAL000000002134	1	39	0.0	-15.20	341.62	3.92	-11.28
CCCC(NC(=O)CC1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL000000002135	0	38	-1.0	-48.43	325.05	2.99	-45.44
CCCC(NC(=O)CC1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL000000002135	1	38	-1.0	-48.43	324.99	2.99	-45.44
CCCC(NC(=O)CC1=CC=C2OCOC2=C1)C1=NNN=N1	REAL000000002135	1	39	0.0	-15.13	328.42	3.00	-12.13
CCCC(NC(=O)C(C)C1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL000000002136	0	42	-1.0	-47.45	344.40	4.18	-43.27
CCCC(NC(=O)C(C)C1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL000000002136	1	42	-1.0	-47.44	344.34	4.18	-43.26
CCCC(NC(=O)C(C)C1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000002136	1	43	0.0	-12.13	347.75	4.19	-7.94
CCCC(NC(=O)C1=CC=C(CSCC)C=C1)C1=NN=N[N-]1	REAL000000002137	0	42	-1.0	-48.05	361.94	6.42	-41.63
CCCC(NC(=O)C1=CC=C(CSCC)C=C1)C1=N[N-]N=N1	REAL000000002137	1	42	-1.0	-48.04	361.88	6.42	-41.62
CCCC(NC(=O)C1=CC=C(CSCC)C=C1)C1=NNN=N1	REAL000000002137	1	43	0.0	-8.32	358.12	6.11	-2.21
CCCC(NC(=O)C1=CC=CC(OCC(=O)OC)=C1)C1=NN=N[N-]1	REAL000000002138	0	42	-1.0	-57.44	360.19	4.58	-52.86
CCCC(NC(=O)C1=CC=CC(OCC(=O)OC)=C1)C1=N[N-]N=N1	REAL000000002138	1	42	-1.0	-57.44	360.14	4.58	-52.85
CCCC(NC(=O)C1=CC=CC(OCC(=O)OC)=C1)C1=NNN=N1	REAL000000002138	1	43	0.0	-16.42	356.38	4.26	-12.16
CCCC(NC(=O)C1=CC=C(OCC(=O)OC)C=C1)C1=NN=N[N-]1	REAL000000002139	0	42	-1.0	-52.26	360.12	4.60	-47.66
CCCC(NC(=O)C1=CC=C(OCC(=O)OC)C=C1)C1=N[N-]N=N1	REAL000000002139	1	42	-1.0	-52.24	360.06	4.59	-47.65
CCCC(NC(=O)C1=CC=C(OCC(=O)OC)C=C1)C1=NNN=N1	REAL000000002139	1	43	0.0	-17.91	363.49	4.60	-13.31
CCCC(NC(=O)C1=CC2=C(C=CS2)S1)C1=NN=N[N-]1	REAL000000002140	0	32	-1.0	-45.91	303.63	4.12	-41.79
CCCC(NC(=O)C1=CC2=C(C=CS2)S1)C1=N[N-]N=N1	REAL000000002140	1	32	-1.0	-45.91	303.57	4.12	-41.79
CCCC(NC(=O)C1=CC2=C(C=CS2)S1)C1=NNN=N1	REAL000000002140	1	33	0.0	-10.22	307.01	4.13	-6.09
CCCC(NC(=O)CC1=CC(=O)OC2=CC(OC)=CC=C12)C1=NN=N[N-]1	REAL000000002141	0	44	-1.0	-48.60	373.13	5.02	-43.58
CCCC(NC(=O)CC1=CC(=O)OC2=CC(OC)=CC=C12)C1=N[N-]N=N1	REAL000000002141	1	44	-1.0	-48.59	373.07	5.02	-43.58
CCCC(NC(=O)CC1=CC(=O)OC2=CC(OC)=CC=C12)C1=NNN=N1	REAL000000002141	1	45	0.0	-18.60	369.31	4.71	-13.89
CCCC(NC(=O)C1=C([N+](=O)[O-])C(C)=NN1C)C1=NN=N[N-]1	REAL000000002142	0	37	-1.0	-51.79	332.56	2.64	-49.16
CCCC(NC(=O)C1=C([N+](=O)[O-])C(C)=NN1C)C1=N[N-]N=N1	REAL000000002142	1	37	-1.0	-51.78	332.50	2.63	-49.16
CCCC(NC(=O)C1=C([N+](=O)[O-])C(C)=NN1C)C1=NNN=N1	REAL000000002142	1	38	0.0	-15.89	335.94	2.65	-13.24
CCCC(NC(=O)C1=C2C=CC=CN2C(SC)=N1)C1=NN=N[N-]1	REAL000000002143	0	39	-1.0	-53.62	345.36	5.17	-48.45
CCCC(NC(=O)C1=C2C=CC=CN2C(SC)=N1)C1=N[N-]N=N1	REAL000000002143	1	39	-1.0	-53.63	345.30	5.16	-48.46
CCCC(NC(=O)C1=C2C=CC=CN2C(SC)=N1)C1=NNN=N1	REAL000000002143	1	40	0.0	-14.04	348.74	5.18	-8.86
CCCC(NC(=O)CCNC(=O)OCC(F)(F)F)C1=NN=N[N-]1	REAL000000002144	0	39	-1.0	-49.37	352.05	0.44	-48.93
CCCC(NC(=O)CCNC(=O)OCC(F)(F)F)C1=N[N-]N=N1	REAL000000002144	1	39	-1.0	-49.36	351.99	0.44	-48.92
CCCC(NC(=O)CCNC(=O)OCC(F)(F)F)C1=NNN=N1	REAL000000002144	1	40	0.0	-16.02	355.42	0.44	-15.58
CCCC(NC(=O)CCCOC1=CC=CC=C1F)C1=NN=N[N-]1	REAL000000002145	0	42	-1.0	-52.70	356.57	4.81	-47.89
CCCC(NC(=O)CCCOC1=CC=CC=C1F)C1=N[N-]N=N1	REAL000000002145	1	42	-1.0	-52.70	356.52	4.81	-47.89
CCCC(NC(=O)CCCOC1=CC=CC=C1F)C1=NNN=N1	REAL000000002145	1	43	0.0	-17.15	359.95	4.83	-12.32
CCCC(NC(=O)C1=CC=C(NC2CC2)N=C1)C1=NN=N[N-]1	REAL000000002146	0	40	-1.0	-46.26	334.91	3.18	-43.08
CCCC(NC(=O)C1=CC=C(NC2CC2)N=C1)C1=N[N-]N=N1	REAL000000002146	1	40	-1.0	-46.26	334.86	3.18	-43.08
CCCC(NC(=O)C1=CC=C(NC2CC2)N=C1)C1=NNN=N1	REAL000000002146	1	41	0.0	-11.04	338.29	3.18	-7.86
CCCC(NC(=O)CCSC1=NN=NN1C)C1=NN=N[N-]1	REAL000000002147	0	37	-1.0	-53.31	333.87	1.71	-51.60
CCCC(NC(=O)CCSC1=NN=NN1C)C1=N[N-]N=N1	REAL000000002147	1	37	-1.0	-53.30	333.81	1.70	-51.61
CCCC(NC(=O)CCSC1=NN=NN1C)C1=NNN=N1	REAL000000002147	1	38	0.0	-19.00	337.25	1.72	-17.29
CCCC(NC(=O)CCOCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002148	0	42	-1.0	-45.02	354.40	4.42	-40.59
CCCC(NC(=O)CCOCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002148	1	42	-1.0	-45.02	354.35	4.43	-40.59
CCCC(NC(=O)CCOCC1=CC=CC=C1)C1=NNN=N1	REAL000000002148	1	43	0.0	-8.16	350.61	4.10	-4.05
CCCC(NC(=O)C(C)SC1=NN=NN1C1CC1)C1=NN=N[N-]1	REAL000000002149	0	41	-1.0	-44.40	360.94	3.23	-41.16
CCCC(NC(=O)C(C)SC1=NN=NN1C1CC1)C1=N[N-]N=N1	REAL000000002149	1	41	-1.0	-44.39	360.88	3.23	-41.16
CCCC(NC(=O)C(C)SC1=NN=NN1C1CC1)C1=NNN=N1	REAL000000002149	1	42	0.0	-12.88	364.32	3.25	-9.63
C=CC(=O)NCC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000002150	0	43	-1.0	-49.37	368.69	3.19	-46.18
C=CC(=O)NCC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000002150	1	43	-1.0	-49.35	368.63	3.18	-46.18
C=CC(=O)NCC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000002150	1	44	0.0	-15.78	372.06	3.20	-12.58
CCCC(NC(=O)CCC1=CC=C(OC)C(OC)=C1OC)C1=NN=N[N-]1	REAL000000002151	0	50	-1.0	-47.19	407.45	4.15	-43.05
CCCC(NC(=O)CCC1=CC=C(OC)C(OC)=C1OC)C1=N[N-]N=N1	REAL000000002151	1	50	-1.0	-47.19	407.39	4.15	-43.05
CCCC(NC(=O)CCC1=CC=C(OC)C(OC)=C1OC)C1=NNN=N1	REAL000000002151	1	51	0.0	-11.94	403.64	3.84	-8.10
CCCC(NC(=O)C1CCN(C2=CC=C(Cl)C=C2)C1=O)C1=NN=N[N-]1	REAL000000002152	0	43	-1.0	-45.80	369.04	5.27	-40.53
CCCC(NC(=O)C1CCN(C2=CC=C(Cl)C=C2)C1=O)C1=N[N-]N=N1	REAL000000002152	1	43	-1.0	-45.80	368.98	5.27	-40.53
CCCC(NC(=O)C1CCN(C2=CC=C(Cl)C=C2)C1=O)C1=NNN=N1	REAL000000002152	1	44	0.0	-12.03	372.09	5.31	-6.72
CCCC(NC(=O)C1=CC=NC(OCC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000002153	0	45	-1.0	-48.42	383.50	4.35	-44.07
CCCC(NC(=O)C1=CC=NC(OCC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000002153	1	45	-1.0	-48.42	383.44	4.34	-44.08
CCCC(NC(=O)C1=CC=NC(OCC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000002153	1	46	0.0	-14.42	386.88	4.36	-10.06
CCCC(NC(=O)C1=CC=C(N2CCCC(C(N)=O)C2)C=C1)C1=NN=N[N-]1	REAL000000002154	0	51	-1.0	-52.83	402.95	1.56	-51.27
CCCC(NC(=O)C1=CC=C(N2CCCC(C(N)=O)C2)C=C1)C1=N[N-]N=N1	REAL000000002154	1	51	-1.0	-52.83	402.89	1.55	-51.28
CCCC(NC(=O)C1=CC=C(N2CCCC(C(N)=O)C2)C=C1)C1=NNN=N1	REAL000000002154	1	52	0.0	-15.71	406.33	1.57	-14.14
CCCC(NC(=O)CCCOC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL000000002155	0	42	-1.0	-49.84	356.76	4.80	-45.04
CCCC(NC(=O)CCCOC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL000000002155	1	42	-1.0	-49.84	356.70	4.80	-45.04
CCCC(NC(=O)CCCOC1=CC=CC(F)=C1)C1=NNN=N1	REAL000000002155	1	43	0.0	-15.25	360.13	4.81	-10.44
CCCC(NC(=O)C1CCN(C(=O)C2=CC=C(Cl)S2)CC1)C1=NN=N[N-]1	REAL000000002156	0	46	-1.0	-51.04	398.30	5.10	-45.94
CCCC(NC(=O)C1CCN(C(=O)C2=CC=C(Cl)S2)CC1)C1=N[N-]N=N1	REAL000000002156	1	46	-1.0	-51.03	398.24	5.09	-45.95
CCCC(NC(=O)C1CCN(C(=O)C2=CC=C(Cl)S2)CC1)C1=NNN=N1	REAL000000002156	1	47	0.0	-16.72	401.66	5.11	-11.61
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CC)C1=NN=N[N-]1	REAL000000002157	0	42	-1.0	-45.92	347.70	6.08	-39.84
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CC)C1=N[N-]N=N1	REAL000000002157	1	42	-1.0	-45.93	347.64	6.07	-39.85
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CC)C1=NNN=N1	REAL000000002157	1	43	0.0	-8.05	344.07	5.74	-2.31
CCCC(NC(=O)C(C)NC(=O)C1CCCCC1)C1=NN=N[N-]1	REAL000000002158	0	48	-1.0	-42.01	378.68	3.26	-38.75
CCCC(NC(=O)C(C)NC(=O)C1CCCCC1)C1=N[N-]N=N1	REAL000000002158	1	48	-1.0	-42.01	378.62	3.26	-38.75
CCCC(NC(=O)C(C)NC(=O)C1CCCCC1)C1=NNN=N1	REAL000000002158	1	49	0.0	-8.54	374.89	2.94	-5.60
CCCC(NC(=O)CCC1=NC(C2=CC=C(C)C(F)=C2)=NO1)C1=NN=N[N-]1	REAL000000002159	0	46	-1.0	-45.86	397.97	4.49	-41.38
CCCC(NC(=O)CCC1=NC(C2=CC=C(C)C(F)=C2)=NO1)C1=N[N-]N=N1	REAL000000002159	1	46	-1.0	-45.86	397.91	4.49	-41.37
CCCC(NC(=O)CCC1=NC(C2=CC=C(C)C(F)=C2)=NO1)C1=NNN=N1	REAL000000002159	1	47	0.0	-11.25	394.12	4.17	-7.08
CCCC(NC(=O)CCC1=NC(C2=CC=C(F)C(C)=C2)=NO1)C1=NN=N[N-]1	REAL000000002160	0	46	-1.0	-44.17	397.97	4.49	-39.68
CCCC(NC(=O)CCC1=NC(C2=CC=C(F)C(C)=C2)=NO1)C1=N[N-]N=N1	REAL000000002160	1	46	-1.0	-44.17	397.91	4.49	-39.68
CCCC(NC(=O)CCC1=NC(C2=CC=C(F)C(C)=C2)=NO1)C1=NNN=N1	REAL000000002160	1	47	0.0	-12.32	401.35	4.50	-7.83
CCCCCCOC1=CC=C(CC(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000002161	0	54	-1.0	-47.52	436.33	7.71	-39.80
CCCCCCOC1=CC=C(CC(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000002161	1	54	-1.0	-47.50	436.27	7.71	-39.80
CCCCCCOC1=CC=C(CC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000002161	1	55	0.0	-12.54	439.71	7.73	-4.81
CCCC(NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1)C1=NN=N[N-]1	REAL000000002162	0	39	-1.0	-47.68	352.46	5.32	-42.36
CCCC(NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1)C1=N[N-]N=N1	REAL000000002162	1	39	-1.0	-47.69	352.40	5.32	-42.37
CCCC(NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1)C1=NNN=N1	REAL000000002162	1	40	0.0	-9.17	348.66	5.01	-4.17
CCCC(NC(=O)CNC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL000000002173	0	37	-1.0	-46.33	326.25	3.21	-43.12
CCCC(NC(=O)CNC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL000000002173	1	37	-1.0	-46.33	326.20	3.22	-43.11
CCCC(NC(=O)CNC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000002173	1	38	0.0	-12.26	329.63	3.23	-9.03
CCCC(NC(=O)CC1=C(C)N(C2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL000000002174	0	44	-1.0	-60.53	371.20	4.55	-55.98
CCCC(NC(=O)CC1=C(C)N(C2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL000000002174	1	44	-1.0	-60.53	371.14	4.56	-55.98
CCCC(NC(=O)CC1=C(C)N(C2=CC=CC=C2)N=N1)C1=NNN=N1	REAL000000002174	1	45	0.0	-19.68	374.59	4.57	-15.12
CCCC(NC(=O)CCNC1=CC(Cl)=CC=C1OC)C1=NN=N[N-]1	REAL000000002175	0	44	-1.0	-47.21	379.11	3.20	-44.01
CCCC(NC(=O)CCNC1=CC(Cl)=CC=C1OC)C1=N[N-]N=N1	REAL000000002175	1	44	-1.0	-47.21	379.06	3.20	-44.01
CCCC(NC(=O)CCNC1=CC(Cl)=CC=C1OC)C1=NNN=N1	REAL000000002175	1	45	0.0	-12.40	382.49	3.21	-9.19
CCCC(NC(=O)C1=C(Cl)N=C(N2CCCC2)S1)C1=NN=N[N-]1	REAL000000002176	0	40	-1.0	-45.80	354.54	2.96	-42.84
CCCC(NC(=O)C1=C(Cl)N=C(N2CCCC2)S1)C1=N[N-]N=N1	REAL000000002176	1	40	-1.0	-45.80	354.48	2.95	-42.85
CCCC(NC(=O)C1=C(Cl)N=C(N2CCCC2)S1)C1=NNN=N1	REAL000000002176	1	41	0.0	-11.45	357.91	2.97	-8.48
CCCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1)C1=NN=N[N-]1	REAL000000002177	0	43	-1.0	-50.80	365.21	4.12	-46.68
CCCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1)C1=N[N-]N=N1	REAL000000002177	1	43	-1.0	-50.79	365.15	4.12	-46.67
CCCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1)C1=NNN=N1	REAL000000002177	1	44	0.0	-12.95	368.59	4.13	-8.82
CCCC(NC(=O)CC(C)C1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000002178	0	44	-1.0	-43.69	372.55	6.56	-37.13
CCCC(NC(=O)CC(C)C1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000002178	1	44	-1.0	-43.69	372.50	6.55	-37.14
CCCC(NC(=O)CC(C)C1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000002178	1	45	0.0	-8.02	368.74	6.23	-1.79
CCCC(NC(=O)CCCCOC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL000000002179	0	48	-1.0	-46.87	393.25	6.19	-40.68
CCCC(NC(=O)CCCCOC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL000000002179	1	48	-1.0	-46.87	393.19	6.19	-40.68
CCCC(NC(=O)CCCCOC1=CC=CC(C)=C1)C1=NNN=N1	REAL000000002179	1	49	0.0	-9.40	389.44	5.87	-3.53
CCCC1=NOC2=NC(C3=CC=CO3)=CC(C(=O)NC(CCC)C3=NN=N[N-]3)=C12	REAL000000002180	0	49	-1.0	-43.07	408.91	4.03	-39.04
CCCC1=NOC2=NC(C3=CC=CO3)=CC(C(=O)NC(CCC)C3=N[N-]N=N3)=C12	REAL000000002180	1	49	-1.0	-43.06	408.85	4.02	-39.04
CCCC1=NOC2=NC(C3=CC=CO3)=CC(C(=O)NC(CCC)C3=NNN=N3)=C12	REAL000000002180	1	50	0.0	-13.53	412.28	4.04	-9.50
CCCC(NC(=O)C(C)OC1=CC=CC(C#N)=C1)C1=NN=N[N-]1	REAL000000002181	0	40	-1.0	-52.28	346.17	5.19	-47.09
CCCC(NC(=O)C(C)OC1=CC=CC(C#N)=C1)C1=N[N-]N=N1	REAL000000002181	1	40	-1.0	-52.28	346.11	5.19	-47.09
CCCC(NC(=O)C(C)OC1=CC=CC(C#N)=C1)C1=NNN=N1	REAL000000002181	1	41	0.0	-17.96	349.52	5.21	-12.75
CCCC(NC(=O)C1=CC=CC(N2N=CC=C2C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000002182	0	49	-1.0	-56.18	406.65	7.87	-48.30
CCCC(NC(=O)C1=CC=CC(N2N=CC=C2C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000002182	1	49	-1.0	-56.18	406.59	7.86	-48.32
CCCC(NC(=O)C1=CC=CC(N2N=CC=C2C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000002182	1	50	0.0	-18.66	410.02	7.88	-10.78
CCCC(NC(=O)COC1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL000000002183	0	40	-1.0	-54.74	342.34	1.03	-53.71
CCCC(NC(=O)COC1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL000000002183	1	40	-1.0	-54.74	342.29	1.02	-53.72
CCCC(NC(=O)COC1=CC=C(C(N)=O)C=C1)C1=NNN=N1	REAL000000002183	1	41	0.0	-17.99	338.53	0.60	-17.39
CCCC(NC(=O)C1=CC(F)=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000002184	0	34	-1.0	-49.75	307.49	5.04	-44.71
CCCC(NC(=O)C1=CC(F)=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000002184	1	34	-1.0	-49.76	307.43	5.03	-44.72
CCCC(NC(=O)C1=CC(F)=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000002184	1	35	0.0	-16.64	310.86	5.05	-11.59
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(Cl)=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000002185	0	46	-1.0	-49.92	397.70	8.11	-41.82
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(Cl)=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000002185	1	46	-1.0	-49.93	397.64	8.11	-41.82
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(Cl)=C2)C(C)=C1)C1=NNN=N1	REAL000000002185	1	47	0.0	-11.56	397.84	8.01	-3.55
CCCC(NC(=O)C1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)C1=NN=N[N-]1	REAL000000002186	0	42	-1.0	-50.81	373.79	5.80	-45.00
CCCC(NC(=O)C1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)C1=N[N-]N=N1	REAL000000002186	1	42	-1.0	-50.80	373.73	5.80	-45.01
CCCC(NC(=O)C1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)C1=NNN=N1	REAL000000002186	1	43	0.0	-17.43	377.17	5.81	-11.62
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000002187	0	40	-1.0	-51.76	363.21	1.86	-49.91
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000002187	1	40	-1.0	-51.76	363.15	1.85	-49.91
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC(S(C)(=O)=O)=C1)C1=NNN=N1	REAL000000002187	1	41	0.0	-16.22	359.39	1.53	-14.69
CCCC(NC(=O)C1CCCN(C(=O)C(C)(C)C)C1)C1=NN=N[N-]1	REAL000000002188	0	51	-1.0	-51.74	383.87	4.08	-47.66
CCCC(NC(=O)C1CCCN(C(=O)C(C)(C)C)C1)C1=N[N-]N=N1	REAL000000002188	1	51	-1.0	-51.73	383.81	4.09	-47.65
CCCC(NC(=O)C1CCCN(C(=O)C(C)(C)C)C1)C1=NNN=N1	REAL000000002188	1	52	0.0	-16.97	387.23	4.09	-12.87
CCCC(NC(=O)C1=NC(OCC)=CC=C1Cl)C1=NN=N[N-]1	REAL000000002189	0	38	-1.0	-45.53	338.14	1.95	-43.58
CCCC(NC(=O)C1=NC(OCC)=CC=C1Cl)C1=N[N-]N=N1	REAL000000002189	1	38	-1.0	-45.53	338.08	1.95	-43.58
CCCC(NC(=O)C1=NC(OCC)=CC=C1Cl)C1=NNN=N1	REAL000000002189	1	39	0.0	-7.53	334.33	1.63	-5.90
CCCC(NC(=O)C1=CSC(C2=CC=C(Cl)S2)=N1)C1=NN=N[N-]1	REAL000000002190	0	35	-1.0	-46.60	350.27	4.10	-42.49
CCCC(NC(=O)C1=CSC(C2=CC=C(Cl)S2)=N1)C1=N[N-]N=N1	REAL000000002190	1	35	-1.0	-46.60	350.22	4.11	-42.49
CCCC(NC(=O)C1=CSC(C2=CC=C(Cl)S2)=N1)C1=NNN=N1	REAL000000002190	1	36	0.0	-10.05	353.65	4.11	-5.94
CCCC(NC(=O)CC1=CSC(C2=CC=C(Cl)S2)=N1)C1=NN=N[N-]1	REAL000000002191	0	38	-1.0	-49.56	371.30	4.95	-44.61
CCCC(NC(=O)CC1=CSC(C2=CC=C(Cl)S2)=N1)C1=N[N-]N=N1	REAL000000002191	1	38	-1.0	-49.55	371.24	4.94	-44.61
CCCC(NC(=O)CC1=CSC(C2=CC=C(Cl)S2)=N1)C1=NNN=N1	REAL000000002191	1	39	0.0	-15.86	374.68	4.95	-10.91
CCCC(NC(=O)C1=CN(CCOC)C2=CC=CC=C12)C1=NN=N[N-]1	REAL000000002192	0	46	-1.0	-53.50	384.67	5.30	-48.21
CCCC(NC(=O)C1=CN(CCOC)C2=CC=CC=C12)C1=N[N-]N=N1	REAL000000002192	1	46	-1.0	-53.51	384.61	5.29	-48.22
CCCC(NC(=O)C1=CN(CCOC)C2=CC=CC=C12)C1=NNN=N1	REAL000000002192	1	47	0.0	-11.87	380.87	4.97	-6.89
CCCC(NC(=O)C1=C(C2CC2)OC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL000000002193	0	45	-1.0	-47.45	384.28	4.49	-42.96
CCCC(NC(=O)C1=C(C2CC2)OC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL000000002193	1	45	-1.0	-47.45	384.22	4.49	-42.96
CCCC(NC(=O)C1=C(C2CC2)OC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000002193	1	46	0.0	-10.40	387.66	4.50	-5.90
C=CCOC1=CC=C(Cl)C(C(=O)NC(CCC)C2=NN=N[N-]2)=N1	REAL000000002194	0	39	-1.0	-45.41	351.04	2.52	-42.89
C=CCOC1=CC=C(Cl)C(C(=O)NC(CCC)C2=N[N-]N=N2)=N1	REAL000000002194	1	39	-1.0	-45.42	350.98	2.52	-42.90
C=CCOC1=CC=C(Cl)C(C(=O)NC(CCC)C2=NNN=N2)=N1	REAL000000002194	1	40	0.0	-9.61	354.42	2.53	-7.09
CCCC(NC(=O)C1=CC=C(OCC2CC2)C=C1)C1=NN=N[N-]1	REAL000000002195	0	43	-1.0	-46.11	357.29	5.50	-40.61
CCCC(NC(=O)C1=CC=C(OCC2CC2)C=C1)C1=N[N-]N=N1	REAL000000002195	1	43	-1.0	-46.11	357.23	5.49	-40.61
CCCC(NC(=O)C1=CC=C(OCC2CC2)C=C1)C1=NNN=N1	REAL000000002195	1	44	0.0	-7.85	353.46	5.18	-2.67
CCCC(NC(=O)CSCC1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL000000002196	0	39	-1.0	-48.29	374.20	6.64	-41.65
CCCC(NC(=O)CSCC1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL000000002196	1	39	-1.0	-48.29	374.14	6.64	-41.65
CCCC(NC(=O)CSCC1=CC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000002196	1	40	0.0	-12.89	377.57	6.64	-6.25
CCCC(NC(=O)C1=C(C)C2=C(C)C=CC(C)=C2O1)C1=NN=N[N-]1	REAL000000002197	0	44	-1.0	-46.72	359.86	5.87	-40.86
CCCC(NC(=O)C1=C(C)C2=C(C)C=CC(C)=C2O1)C1=N[N-]N=N1	REAL000000002197	1	44	-1.0	-46.72	359.80	5.87	-40.86
CCCC(NC(=O)C1=C(C)C2=C(C)C=CC(C)=C2O1)C1=NNN=N1	REAL000000002197	1	45	0.0	-10.38	363.61	5.91	-4.47
CCCC(NC(=O)C1=CN=C(C2=CC=CC=C2F)S1)C1=NN=N[N-]1	REAL000000002198	0	38	-1.0	-49.66	345.64	4.80	-44.86
CCCC(NC(=O)C1=CN=C(C2=CC=CC=C2F)S1)C1=N[N-]N=N1	REAL000000002198	1	38	-1.0	-49.65	345.58	4.80	-44.85
CCCC(NC(=O)C1=CN=C(C2=CC=CC=C2F)S1)C1=NNN=N1	REAL000000002198	1	39	0.0	-11.97	341.81	4.48	-7.49
CCCC(NC(=O)C1=C(C(C)C)OC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL000000002199	0	47	-1.0	-46.59	394.00	4.34	-42.26
CCCC(NC(=O)C1=C(C(C)C)OC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL000000002199	1	47	-1.0	-46.60	393.94	4.33	-42.27
CCCC(NC(=O)C1=C(C(C)C)OC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000002199	1	48	0.0	-9.94	397.38	4.35	-5.59
CCCCCCCCCCCC(=O)NC(CCC)C1=NN=N[N-]1	REAL000000002200	0	55	-1.0	-44.95	432.45	8.38	-36.57
CCCCCCCCCCCC(=O)NC(CCC)C1=N[N-]N=N1	REAL000000002200	1	55	-1.0	-44.95	432.39	8.38	-36.56
CCCCCCCCCCCC(=O)NC(CCC)C1=NNN=N1	REAL000000002200	1	56	0.0	-6.76	428.66	8.06	1.30
CCCC(NC(=O)CCSC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000002201	0	39	-1.0	-43.73	360.46	6.22	-37.51
CCCC(NC(=O)CCSC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000002201	1	39	-1.0	-43.73	360.40	6.22	-37.51
CCCC(NC(=O)CCSC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000002201	1	40	0.0	-10.11	363.84	6.22	-3.89
CCCC(NC(=O)C1CCN(C2=CC=C(F)C=C2)C1=O)C1=NN=N[N-]1	REAL000000002202	0	43	-1.0	-46.21	358.74	4.82	-41.39
CCCC(NC(=O)C1CCN(C2=CC=C(F)C=C2)C1=O)C1=N[N-]N=N1	REAL000000002202	1	43	-1.0	-46.22	358.68	4.82	-41.40
CCCC(NC(=O)C1CCN(C2=CC=C(F)C=C2)C1=O)C1=NNN=N1	REAL000000002202	1	44	0.0	-12.56	361.78	4.86	-7.70
CCCC(NC(=O)C1CCN(C2=CC=C(Cl)C(Cl)=C2)C1=O)C1=NN=N[N-]1	REAL000000002203	0	43	-1.0	-50.88	383.13	5.78	-45.10
CCCC(NC(=O)C1CCN(C2=CC=C(Cl)C(Cl)=C2)C1=O)C1=N[N-]N=N1	REAL000000002203	1	43	-1.0	-50.88	383.07	5.77	-45.10
CCCC(NC(=O)C1CCN(C2=CC=C(Cl)C(Cl)=C2)C1=O)C1=NNN=N1	REAL000000002203	1	44	0.0	-13.39	386.51	5.79	-7.60
CCCC(NC(=O)C1CCN(C2=CC(C)=CC(C)=C2)C1=O)C1=NN=N[N-]1	REAL000000002204	0	49	-1.0	-55.23	394.03	6.14	-49.09
CCCC(NC(=O)C1CCN(C2=CC(C)=CC(C)=C2)C1=O)C1=N[N-]N=N1	REAL000000002204	1	49	-1.0	-55.23	393.97	6.13	-49.09
CCCC(NC(=O)C1CCN(C2=CC(C)=CC(C)=C2)C1=O)C1=NNN=N1	REAL000000002204	1	50	0.0	-12.48	398.45	6.11	-6.37
CCCC(NC(=O)C1CCN(C2=CC(Cl)=CC=C2Cl)C1=O)C1=NN=N[N-]1	REAL000000002205	0	43	-1.0	-46.33	392.72	6.32	-40.00
CCCC(NC(=O)C1CCN(C2=CC(Cl)=CC=C2Cl)C1=O)C1=N[N-]N=N1	REAL000000002205	1	43	-1.0	-46.33	392.66	6.31	-40.02
CCCC(NC(=O)C1CCN(C2=CC(Cl)=CC=C2Cl)C1=O)C1=NNN=N1	REAL000000002205	1	44	0.0	-11.47	388.90	6.00	-5.47
CCCC(NC(=O)CN(CC)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002206	0	43	-1.0	-48.36	351.60	5.48	-42.88
CCCC(NC(=O)CN(CC)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002206	1	43	-1.0	-48.36	351.54	5.47	-42.89
CCCC(NC(=O)CN(CC)C1=CC=CC=C1)C1=NNN=N1	REAL000000002206	1	44	0.0	-11.85	354.98	5.49	-6.36
CCCC(NC(=O)C1=C(C)N(CCC#N)N=C1)C1=NN=N[N-]1	REAL000000002207	0	39	-1.0	-49.48	337.59	3.24	-46.24
CCCC(NC(=O)C1=C(C)N(CCC#N)N=C1)C1=N[N-]N=N1	REAL000000002207	1	39	-1.0	-49.47	337.53	3.24	-46.24
CCCC(NC(=O)C1=C(C)N(CCC#N)N=C1)C1=NNN=N1	REAL000000002207	1	40	0.0	-15.18	340.96	3.25	-11.93
CCCC(NC(=O)CC(O)(C1=NC(C)=CS1)C(F)(F)F)C1=NN=N[N-]1	REAL000000002208	0	41	-1.0	-44.02	362.44	1.58	-42.45
CCCC(NC(=O)CC(O)(C1=NC(C)=CS1)C(F)(F)F)C1=N[N-]N=N1	REAL000000002208	1	41	-1.0	-44.01	362.38	1.57	-42.44
CCCC(NC(=O)CC(O)(C1=NC(C)=CS1)C(F)(F)F)C1=NNN=N1	REAL000000002208	1	42	0.0	-12.23	365.82	1.59	-10.64
CCCC(NC(=O)C(OCC)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002209	0	42	-1.0	-50.50	353.17	5.41	-45.09
CCCC(NC(=O)C(OCC)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002209	1	42	-1.0	-50.50	353.12	5.41	-45.09
CCCC(NC(=O)C(OCC)C1=CC=CC=C1)C1=NNN=N1	REAL000000002209	1	43	0.0	-13.65	356.02	5.44	-8.21
CCCC(NC(=O)CNC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000002210	0	39	-1.0	-55.98	337.31	3.53	-52.45
CCCC(NC(=O)CNC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000002210	1	39	-1.0	-55.97	337.25	3.53	-52.44
CCCC(NC(=O)CNC1=CC=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000002210	1	40	0.0	-19.76	340.68	3.54	-16.22
CCCC(NC(=O)C1=CC=C2NC(=O)OC2=C1)C1=NN=N[N-]1	REAL000000002211	0	35	-1.0	-50.29	306.05	1.16	-49.13
CCCC(NC(=O)C1=CC=C2NC(=O)OC2=C1)C1=N[N-]N=N1	REAL000000002211	1	35	-1.0	-50.28	306.00	1.15	-49.13
CCCC(NC(=O)C1=CC=C2NC(=O)OC2=C1)C1=NNN=N1	REAL000000002211	1	36	0.0	-13.98	302.24	0.83	-13.14
CCCC(NC(=O)C1=CC=CC(OCC2=CC=CC=C2C#N)=C1)C1=NN=N[N-]1	REAL000000002212	0	47	-1.0	-50.17	403.06	7.36	-42.81
CCCC(NC(=O)C1=CC=CC(OCC2=CC=CC=C2C#N)=C1)C1=N[N-]N=N1	REAL000000002212	1	47	-1.0	-50.17	403.00	7.35	-42.82
CCCC(NC(=O)C1=CC=CC(OCC2=CC=CC=C2C#N)=C1)C1=NNN=N1	REAL000000002212	1	48	0.0	-14.61	406.48	7.36	-7.25
CCCC(NC(=O)C1=CC(Br)=C2OCOC2=C1)C1=NN=N[N-]1	REAL000000002213	0	35	-1.0	-44.15	321.66	2.94	-41.21
CCCC(NC(=O)C1=CC(Br)=C2OCOC2=C1)C1=N[N-]N=N1	REAL000000002213	1	35	-1.0	-44.14	321.60	2.94	-41.20
CCCC(NC(=O)C1=CC(Br)=C2OCOC2=C1)C1=NNN=N1	REAL000000002213	1	36	0.0	-8.42	317.83	2.62	-5.80
CCCC(NC(=O)C1=CC(NC(C)=O)=CC=C1F)C1=NN=N[N-]1	REAL000000002214	0	39	-1.0	-53.61	334.70	2.65	-50.97
CCCC(NC(=O)C1=CC(NC(C)=O)=CC=C1F)C1=N[N-]N=N1	REAL000000002214	1	39	-1.0	-53.62	334.64	2.64	-50.98
CCCC(NC(=O)C1=CC(NC(C)=O)=CC=C1F)C1=NNN=N1	REAL000000002214	1	40	0.0	-18.44	338.36	2.65	-15.79
CCCC(NC(=O)C1=CC=C(F)C(NC(C)=O)=C1)C1=NN=N[N-]1	REAL000000002215	0	39	-1.0	-56.45	336.34	2.67	-53.77
CCCC(NC(=O)C1=CC=C(F)C(NC(C)=O)=C1)C1=N[N-]N=N1	REAL000000002215	1	39	-1.0	-56.44	336.28	2.67	-53.77
CCCC(NC(=O)C1=CC=C(F)C(NC(C)=O)=C1)C1=NNN=N1	REAL000000002215	1	40	0.0	-18.34	338.90	2.67	-15.67
CCCC(NC(=O)C1=CN(C2=CC=C(Cl)C=C2Cl)N=C1)C1=NN=N[N-]1	REAL000000002216	0	39	-1.0	-46.81	369.17	6.03	-40.78
CCCC(NC(=O)C1=CN(C2=CC=C(Cl)C=C2Cl)N=C1)C1=N[N-]N=N1	REAL000000002216	1	39	-1.0	-46.81	369.11	6.02	-40.79
CCCC(NC(=O)C1=CN(C2=CC=C(Cl)C=C2Cl)N=C1)C1=NNN=N1	REAL000000002216	1	40	0.0	-12.28	372.55	6.04	-6.24
CCCC(NC(=O)CCC1=NC2=C(C(C)=C(C)S2)C(=O)N1)C1=NN=N[N-]1	REAL000000002217	0	46	-1.0	-47.58	392.86	4.06	-43.52
CCCC(NC(=O)CCC1=NC2=C(C(C)=C(C)S2)C(=O)N1)C1=N[N-]N=N1	REAL000000002217	1	46	-1.0	-47.57	392.80	4.06	-43.51
CCCC(NC(=O)CCC1=NC2=C(C(C)=C(C)S2)C(=O)N1)C1=NNN=N1	REAL000000002217	1	47	0.0	-15.34	395.49	4.04	-11.30
CCCC(NC(=O)CCC1=C(Cl)ON=C1C)C1=NN=N[N-]1	REAL000000002218	0	37	-1.0	-44.07	333.13	3.72	-40.35
CCCC(NC(=O)CCC1=C(Cl)ON=C1C)C1=N[N-]N=N1	REAL000000002218	1	37	-1.0	-44.07	333.07	3.72	-40.35
CCCC(NC(=O)CCC1=C(Cl)ON=C1C)C1=NNN=N1	REAL000000002218	1	38	0.0	-11.13	336.51	3.73	-7.40
CCCC(NC(=O)C1=CC=C(OCC2CCCCC2)C=C1)C1=NN=N[N-]1	REAL000000002219	0	52	-1.0	-46.33	408.84	7.30	-39.03
CCCC(NC(=O)C1=CC=C(OCC2CCCCC2)C=C1)C1=N[N-]N=N1	REAL000000002219	1	52	-1.0	-46.33	408.78	7.30	-39.03
CCCC(NC(=O)C1=CC=C(OCC2CCCCC2)C=C1)C1=NNN=N1	REAL000000002219	1	53	0.0	-11.17	412.22	7.30	-3.86
CCCC(NC(=O)C1=CC=CC(OCCOC)=C1)C1=NN=N[N-]1	REAL000000002220	0	43	-1.0	-52.94	359.31	3.16	-49.78
CCCC(NC(=O)C1=CC=CC(OCCOC)=C1)C1=N[N-]N=N1	REAL000000002220	1	43	-1.0	-52.94	359.26	3.16	-49.78
CCCC(NC(=O)C1=CC=CC(OCCOC)=C1)C1=NNN=N1	REAL000000002220	1	44	0.0	-15.79	362.69	3.17	-12.62
CCCC(NC(=O)C1=CC=NC(SCC)=C1)C1=NN=N[N-]1	REAL000000002221	0	38	-1.0	-46.53	334.50	3.93	-42.60
CCCC(NC(=O)C1=CC=NC(SCC)=C1)C1=N[N-]N=N1	REAL000000002221	1	38	-1.0	-46.53	334.44	3.92	-42.61
CCCC(NC(=O)C1=CC=NC(SCC)=C1)C1=NNN=N1	REAL000000002221	1	39	0.0	-9.08	330.68	3.61	-5.46
CCCC(NC(=O)CCNC(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000002222	0	42	-1.0	-53.83	361.85	2.84	-50.99
CCCC(NC(=O)CCNC(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000002222	1	42	-1.0	-53.83	361.79	2.85	-50.98
CCCC(NC(=O)CCNC(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000002222	1	43	0.0	-19.78	365.23	2.85	-16.93
CCCC(NC(=O)CCC1=CC=C(OCC)C=C1)C1=NN=N[N-]1	REAL000000002223	0	45	-1.0	-45.56	371.74	5.36	-40.20
CCCC(NC(=O)CCC1=CC=C(OCC)C=C1)C1=N[N-]N=N1	REAL000000002223	1	45	-1.0	-45.56	371.68	5.36	-40.20
CCCC(NC(=O)CCC1=CC=C(OCC)C=C1)C1=NNN=N1	REAL000000002223	1	46	0.0	-11.41	375.12	5.37	-6.05
CCCC(NC(=O)C1=CC=C(OCC(=O)NC)C(OC)=C1)C1=NN=N[N-]1	REAL000000002224	0	47	-1.0	-58.33	393.48	2.30	-56.02
CCCC(NC(=O)C1=CC=C(OCC(=O)NC)C(OC)=C1)C1=N[N-]N=N1	REAL000000002224	1	47	-1.0	-58.32	393.43	2.30	-56.02
CCCC(NC(=O)C1=CC=C(OCC(=O)NC)C(OC)=C1)C1=NNN=N1	REAL000000002224	1	48	0.0	-20.81	389.66	1.98	-18.83
CCCC(NC(=O)C1=C2C=CC(F)=CC2=NC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000002225	0	47	-1.0	-44.38	393.59	7.73	-36.65
CCCC(NC(=O)C1=C2C=CC(F)=CC2=NC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000002225	1	47	-1.0	-44.39	393.53	7.73	-36.66
CCCC(NC(=O)C1=C2C=CC(F)=CC2=NC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000002225	1	48	0.0	-12.43	396.96	7.74	-4.69
CCCC(NC(=O)C1=CC=C(COC2=CC=C(C)C=C2C)O1)C1=NN=N[N-]1	REAL000000002226	0	49	-1.0	-47.79	411.85	6.51	-41.28
CCCC(NC(=O)C1=CC=C(COC2=CC=C(C)C=C2C)O1)C1=N[N-]N=N1	REAL000000002226	1	49	-1.0	-47.79	411.80	6.50	-41.29
CCCC(NC(=O)C1=CC=C(COC2=CC=C(C)C=C2C)O1)C1=NNN=N1	REAL000000002226	1	50	0.0	-9.42	408.04	6.19	-3.23
CCCC(NC(=O)C1=C(C)C2=CC=CC(C)=C2O1)C1=NN=N[N-]1	REAL000000002227	0	41	-1.0	-46.47	344.80	5.40	-41.07
CCCC(NC(=O)C1=C(C)C2=CC=CC(C)=C2O1)C1=N[N-]N=N1	REAL000000002227	1	41	-1.0	-46.47	344.74	5.40	-41.06
CCCC(NC(=O)C1=C(C)C2=CC=CC(C)=C2O1)C1=NNN=N1	REAL000000002227	1	42	0.0	-10.30	348.15	5.41	-4.89
CCCC(NC(=O)C1=CC2=C(N1C)N(C)C(=O)N(C)C2=O)C1=NN=N[N-]1	REAL000000002228	0	45	-1.0	-51.31	365.46	4.20	-47.12
CCCC(NC(=O)C1=CC=CC(OCC2=CC=CC(Cl)=C2)=C1)C1=NN=N[N-]1	REAL000000002229	0	46	-1.0	-51.58	402.33	7.44	-44.14
CCCC(NC(=O)C1=CC=CC(OCC2=CC=CC(Cl)=C2)=C1)C1=N[N-]N=N1	REAL000000002229	1	46	-1.0	-51.58	402.28	7.43	-44.15
CCCC(NC(=O)C1=CC=CC(OCC2=CC=CC(Cl)=C2)=C1)C1=NNN=N1	REAL000000002229	1	47	0.0	-14.89	405.71	7.45	-7.44
CCCC(NC(=O)CN1C=CC2=CC=C(Cl)C=C21)C1=NN=N[N-]1	REAL000000002230	0	39	-1.0	-47.14	348.85	6.29	-40.85
CCCC(NC(=O)CN1C=CC2=CC=C(Cl)C=C21)C1=N[N-]N=N1	REAL000000002230	1	39	-1.0	-47.13	348.79	6.28	-40.85
CCCC(NC(=O)CN1C=CC2=CC=C(Cl)C=C21)C1=NNN=N1	REAL000000002230	1	40	0.0	-14.41	352.23	6.30	-8.11
CCCC(NC(=O)CCC1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL000000002231	0	38	-1.0	-44.96	332.24	5.23	-39.73
CCCC(NC(=O)CCC1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL000000002231	1	38	-1.0	-44.97	332.18	5.22	-39.75
CCCC(NC(=O)CCC1=CC(F)=CC=C1F)C1=NNN=N1	REAL000000002231	1	39	0.0	-10.83	335.61	5.24	-5.59
CCCC(NC(=O)CN1C(=O)SC(C)=C1C)C1=NN=N[N-]1	REAL000000002232	0	38	-1.0	-47.71	331.00	3.08	-44.62
CCCC(NC(=O)CN1C(=O)SC(C)=C1C)C1=N[N-]N=N1	REAL000000002232	1	38	-1.0	-47.70	330.95	3.08	-44.62
CCCC(NC(=O)CN1C(=O)SC(C)=C1C)C1=NNN=N1	REAL000000002232	1	39	0.0	-19.44	334.38	3.09	-16.35
CCCC(NC(=O)CCCNC(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000002233	0	45	-1.0	-47.94	383.35	3.66	-44.28
CCCC(NC(=O)CCCNC(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000002233	1	45	-1.0	-47.94	383.30	3.65	-44.29
CCCC(NC(=O)CCCNC(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000002233	1	46	0.0	-15.03	386.73	3.66	-11.36
CCCC(NC(=O)C1=NN2C=C(Br)C=NC2=N1)C1=NN=N[N-]1	REAL000000002234	0	33	-1.0	-49.69	316.60	4.39	-45.30
CCCC(NC(=O)C1=NN2C=C(Br)C=NC2=N1)C1=N[N-]N=N1	REAL000000002234	1	33	-1.0	-49.70	316.55	4.39	-45.31
CCCC(NC(=O)C1=NN2C=C(Br)C=NC2=N1)C1=NNN=N1	REAL000000002234	1	34	0.0	-14.19	319.98	4.40	-9.79
CCCC(NC(=O)C1CC(=O)N(C2=CC(Cl)=CC(Cl)=C2)C1)C1=NN=N[N-]1	REAL000000002235	0	43	-1.0	-43.42	387.13	5.65	-37.77
CCCC(NC(=O)C1CC(=O)N(C2=CC(Cl)=CC(Cl)=C2)C1)C1=N[N-]N=N1	REAL000000002235	1	43	-1.0	-43.41	387.07	5.64	-37.77
CCCC(NC(=O)C1CC(=O)N(C2=CC(Cl)=CC(Cl)=C2)C1)C1=NNN=N1	REAL000000002235	1	44	0.0	-14.23	390.51	5.65	-8.58
CCCC(NC(=O)CN(C)CC(=O)NC(C)C)C1=NN=N[N-]1	REAL000000002236	0	46	-1.0	-55.91	370.36	-0.07	-55.99
CCCC(NC(=O)CN(C)CC(=O)NC(C)C)C1=N[N-]N=N1	REAL000000002236	1	46	-1.0	-55.91	370.30	-0.08	-56.00
CCCC(NC(=O)CN(C)CC(=O)NC(C)C)C1=NNN=N1	REAL000000002236	1	47	0.0	-15.94	366.56	-0.40	-16.34
CCCC(NC(=O)C1=NC(OC(C)C)=CC=C1Cl)C1=NN=N[N-]1	REAL000000002237	0	41	-1.0	-45.40	358.28	2.86	-42.54
CCCC(NC(=O)C1=NC(OC(C)C)=CC=C1Cl)C1=N[N-]N=N1	REAL000000002237	1	41	-1.0	-45.40	358.22	2.86	-42.54
CCCC(NC(=O)C1=NC(OC(C)C)=CC=C1Cl)C1=NNN=N1	REAL000000002237	1	42	0.0	-7.34	354.47	2.55	-4.79
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000002238	0	41	-1.0	-57.58	368.08	6.47	-51.11
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000002238	1	41	-1.0	-57.59	368.02	6.46	-51.12
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C=C1[N+](=O)[O-])C1=NNN=N1	REAL000000002238	1	42	0.0	-22.26	370.66	6.52	-15.74
CCCC(NC(=O)C1=NC(OC)=C2C=CC=CC2=C1)C1=NN=N[N-]1	REAL000000002239	0	41	-1.0	-48.23	348.95	2.83	-45.40
CCCC(NC(=O)C1=NC(OC)=C2C=CC=CC2=C1)C1=N[N-]N=N1	REAL000000002239	1	41	-1.0	-48.23	348.89	2.82	-45.41
CCCC(NC(=O)C1=NC(OC)=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000002239	1	42	0.0	-8.95	345.15	2.51	-6.45
CCCC(NC(=O)C1=CC=C(N2NC(=O)CCC2=O)C=C1)C1=NN=N[N-]1	REAL000000002240	0	44	-1.0	-51.72	371.24	2.69	-49.03
CCCC(NC(=O)C1=CC=C(N2NC(=O)CCC2=O)C=C1)C1=N[N-]N=N1	REAL000000002240	1	44	-1.0	-51.72	371.19	2.68	-49.04
CCCC(NC(=O)C1=CC=C(N2NC(=O)CCC2=O)C=C1)C1=NNN=N1	REAL000000002240	1	45	0.0	-17.27	374.61	2.70	-14.57
CCCC(NC(=O)C1=CC=C(C2=CC=NC=C2)NC1=O)C1=NN=N[N-]1	REAL000000002241	0	41	-1.0	-54.72	346.01	2.64	-52.07
CCCC(NC(=O)C1=CC=C(C2=CC=NC=C2)NC1=O)C1=N[N-]N=N1	REAL000000002241	1	41	-1.0	-54.72	345.96	2.65	-52.08
CCCC(NC(=O)C1=CC=C(C2=CC=NC=C2)NC1=O)C1=NNN=N1	REAL000000002241	1	42	0.0	-16.23	349.38	2.66	-13.57
CCCC(NC(=O)C1=C(Br)C(C2CC2)=NN1)C1=NN=N[N-]1	REAL000000002242	0	36	-1.0	-43.42	328.40	2.93	-40.49
CCCC(NC(=O)C1=C(Br)C(C2CC2)=NN1)C1=N[N-]N=N1	REAL000000002242	1	36	-1.0	-43.41	328.34	2.93	-40.48
CCCC(NC(=O)C1=C(Br)C(C2CC2)=NN1)C1=NNN=N1	REAL000000002242	1	37	0.0	-10.92	331.77	2.94	-7.98
CCCC(NC(=O)C1=C(Br)C(C2=CC=CC=C2)=NN1)C1=NN=N[N-]1	REAL000000002243	0	39	-1.0	-44.55	352.41	4.16	-40.38
CCCC(NC(=O)C1=C(Br)C(C2=CC=CC=C2)=NN1)C1=N[N-]N=N1	REAL000000002243	1	39	-1.0	-44.54	352.35	4.16	-40.38
CCCC(NC(=O)C1=C(Br)C(C2=CC=CC=C2)=NN1)C1=NNN=N1	REAL000000002243	1	40	0.0	-12.11	355.80	4.17	-7.94
CCCC(NC(=O)CN(C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002244	0	43	-1.0	-47.12	349.50	3.39	-43.73
CCCC(NC(=O)C1=CSC(C2=CC=CC=C2F)=N1)C1=NN=N[N-]1	REAL000000002245	0	38	-1.0	-47.42	345.27	4.45	-42.97
CCCC(NC(=O)C1=CSC(C2=CC=CC=C2F)=N1)C1=N[N-]N=N1	REAL000000002245	1	38	-1.0	-47.42	345.21	4.44	-42.98
CCCC(NC(=O)C1=CSC(C2=CC=CC=C2F)=N1)C1=NNN=N1	REAL000000002245	1	39	0.0	-10.83	348.64	4.46	-6.38
CCCC(NC(=O)C1=CC(C)=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000002246	0	37	-1.0	-44.01	323.95	4.98	-39.03
CCCC(NC(=O)C1=CC(C)=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000002246	1	37	-1.0	-44.02	323.90	4.99	-39.03
CCCC(NC(=O)C1=CC(C)=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000002246	1	38	0.0	-10.80	327.33	4.99	-5.81
CCCC(NC(=O)C1=CC=CN(CC2=CC=CC=C2)C1=O)C1=NN=N[N-]1	REAL000000002247	0	45	-1.0	-62.07	377.33	6.67	-55.39
CCCC(NC(=O)C1=C2C=CC=CN2C(S(C)(=O)=O)=N1)C1=NN=N[N-]1	REAL000000002248	0	41	-1.0	-62.18	362.29	1.42	-60.76
CCCC(NC(=O)C1=C2C=CC=CN2C(S(C)(=O)=O)=N1)C1=N[N-]N=N1	REAL000000002248	1	41	-1.0	-62.19	362.23	1.42	-60.76
CCCC(NC(=O)C1=C2C=CC=CN2C(S(C)(=O)=O)=N1)C1=NNN=N1	REAL000000002248	1	42	0.0	-21.93	365.67	1.43	-20.49
CCCC(NC(=O)C1=CC2=C(N1)SC(Br)=C2)C1=NN=N[N-]1	REAL000000002249	0	33	-1.0	-42.95	320.10	3.39	-39.56
CCCC(NC(=O)C1=CC2=C(N1)SC(Br)=C2)C1=N[N-]N=N1	REAL000000002249	1	33	-1.0	-42.95	320.05	3.39	-39.56
CCCC(NC(=O)C1=CC2=C(N1)SC(Br)=C2)C1=NNN=N1	REAL000000002249	1	34	0.0	-9.97	323.48	3.40	-6.57
CCCCN(C)C1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000002250	0	49	-1.0	-48.60	390.18	6.54	-42.06
CCCCN(C)C1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000002250	1	49	-1.0	-48.60	390.12	6.54	-42.06
CCCCN(C)C1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000002250	1	50	0.0	-11.40	393.82	6.56	-4.84
CCCC(NC(=O)C1=CC=C(N(CC)CCC)C=C1)C1=NN=N[N-]1	REAL000000002251	0	49	-1.0	-48.18	390.74	6.71	-41.47
CCCC(NC(=O)C1=CC=C(N(CC)CCC)C=C1)C1=N[N-]N=N1	REAL000000002251	1	49	-1.0	-48.19	390.68	6.70	-41.48
CCCC(NC(=O)C1=CC=C(N(CC)CCC)C=C1)C1=NNN=N1	REAL000000002251	1	50	0.0	-11.14	394.12	6.72	-4.41
CCCC(NC(=O)C1=CSC(C2=CC=CC=N2)=N1)C1=NN=N[N-]1	REAL000000002252	0	37	-1.0	-52.33	337.15	2.58	-49.76
CCCC(NC(=O)C1=CSC(C2=CC=CC=N2)=N1)C1=N[N-]N=N1	REAL000000002252	1	37	-1.0	-52.34	337.09	2.57	-49.77
CCCC(NC(=O)C1=CSC(C2=CC=CC=N2)=N1)C1=NNN=N1	REAL000000002252	1	38	0.0	-13.94	340.53	2.59	-11.35
CCCC(NC(=O)C1=C2C(C(C)C)=NOC2=NC(C)=C1)C1=NN=N[N-]1	REAL000000002253	0	45	-1.0	-44.36	364.04	2.65	-41.71
CCCC(NC(=O)C1=C2C(C(C)C)=NOC2=NC(C)=C1)C1=N[N-]N=N1	REAL000000002253	1	45	-1.0	-44.36	363.99	2.64	-41.71
CCCC(NC(=O)C1=C2C(=NC(C)=C1)ON=C2C(C)C)C1=NNN=N1	REAL000000002253	1	46	0.0	-15.06	367.41	2.66	-12.40
CCCC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1=NN=N[N-]1	REAL000000002254	0	50	0.0	-56.07	384.32	5.58	-50.48
CCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1=NN=N[N-]1	REAL000000002254	1	50	0.0	-62.54	390.50	5.40	-57.15
CCCC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1=N[N-]N=N1	REAL000000002254	1	50	0.0	-56.06	384.26	5.58	-50.48
CCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1=N[N-]N=N1	REAL000000002254	1	50	0.0	-62.54	390.45	5.40	-57.14
CCCC(NC(=O)C1=C(Br)C(C)=NN1C)C1=NN=N[N-]1	REAL000000002255	0	35	-1.0	-44.81	322.61	2.48	-42.33
CCCC(NC(=O)C1=C(Br)C(C)=NN1C)C1=N[N-]N=N1	REAL000000002255	1	35	-1.0	-44.81	322.56	2.47	-42.34
CCCC(NC(=O)C1=C(Br)C(C)=NN1C)C1=NNN=N1	REAL000000002255	1	36	0.0	-11.92	326.15	2.48	-9.43
CCCC(NC(=O)C1=CC=CC(N2C=CC(C)=N2)=C1)C1=NN=N[N-]1	REAL000000002256	0	42	-1.0	-58.05	354.67	5.44	-52.61
CCCC(NC(=O)C1=CC=CC(N2C=CC(C)=N2)=C1)C1=N[N-]N=N1	REAL000000002256	1	42	-1.0	-58.04	354.61	5.43	-52.61
CCCC(NC(=O)C1=CC=CC(N2C=CC(C)=N2)=C1)C1=NNN=N1	REAL000000002256	1	43	0.0	-20.13	358.05	5.45	-14.68
CCCC(NC(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL000000002257	0	40	-1.0	-45.27	343.72	4.95	-40.32
CCCC(NC(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL000000002257	1	40	-1.0	-45.27	343.67	4.94	-40.33
CCCC(NC(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000002257	1	41	0.0	-12.29	347.10	4.96	-7.34
CCCC(NC(=O)CCCCCCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000002258	0	57	-1.0	-50.67	451.47	4.24	-46.43
CCCC(NC(=O)CCCCCCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000002258	1	57	-1.0	-50.68	451.41	4.24	-46.45
CCCC(NC(=O)CCCCCCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000002258	1	58	0.0	-15.41	454.85	4.25	-11.17
CCCC(NC(=O)CCC1=NC2=C(N1)N(C)C(=O)NC2=O)C1=NN=N[N-]1	REAL000000002259	0	44	-1.0	-54.49	376.23	0.87	-53.62
CCCC(NC(=O)CCC1=NC2=C(N1)N(C)C(=O)NC2=O)C1=N[N-]N=N1	REAL000000002259	1	44	-1.0	-54.48	376.17	0.87	-53.61
CCCC(NC(=O)CCC1=NC2=C(N1)N(C)C(=O)NC2=O)C1=NNN=N1	REAL000000002259	1	45	0.0	-19.16	379.60	0.88	-18.28
CCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1=NN=N[N-]1	REAL000000002260	0	51	0.0	-60.44	395.83	7.51	-52.93
CCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1=NN=N[N-]1	REAL000000002260	1	51	0.0	-55.89	395.82	7.51	-48.38
CCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1=N[N-]N=N1	REAL000000002260	1	51	0.0	-60.43	395.77	7.51	-52.92
CCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1=N[N-]N=N1	REAL000000002260	1	51	0.0	-55.88	395.76	7.52	-48.37
CCCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL000000002261	0	51	0.0	-67.44	395.63	7.30	-60.14
CCCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL000000002261	1	51	0.0	-67.44	395.58	7.30	-60.14
CCCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000002261	1	52	1.0	-44.63	391.83	6.99	-37.65
CCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000002262	0	51	0.0	-54.66	389.45	7.45	-47.22
CCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000002262	1	51	0.0	-58.71	395.63	7.25	-51.45
CCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000002262	1	51	0.0	-54.66	389.39	7.45	-47.21
CCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000002262	1	51	0.0	-58.71	395.57	7.25	-51.46
CCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000002262	1	52	1.0	-41.38	399.08	7.28	-34.11
CCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000002262	1	52	1.0	-41.38	399.00	7.26	-34.12
CCCC(NC(=O)CCC(=O)NCC(=O)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000002263	0	51	-1.0	-48.98	428.86	2.73	-46.25
CCCC(NC(=O)CCC(=O)NCC(=O)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000002263	1	51	-1.0	-48.98	428.81	2.73	-46.25
CCCC(NC(=O)CCC(=O)NCC(=O)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000002263	1	52	0.0	-12.67	425.05	2.42	-10.25
CCCC(NC(=O)C1=CC=C(OC2=CC=CN=C2)C=C1)C1=NN=N[N-]1	REAL000000002264	0	42	-1.0	-46.51	357.78	4.72	-41.79
CCCC(NC(=O)C1=CC=C(OC2=CC=CN=C2)C=C1)C1=N[N-]N=N1	REAL000000002264	1	42	-1.0	-46.52	357.72	4.72	-41.80
CCCC(NC(=O)C1=CC=C(OC2=CC=CN=C2)C=C1)C1=NNN=N1	REAL000000002264	1	43	0.0	-13.48	361.23	4.69	-8.79
CCCC(NC(=O)CC1=CN(C)C2=CC=CC=C12)C1=NN=N[N-]1	REAL000000002265	0	42	-1.0	-49.49	353.33	6.10	-43.40
CCCC(NC(=O)CC1=CN(C)C2=CC=CC=C12)C1=N[N-]N=N1	REAL000000002265	1	42	-1.0	-49.49	353.27	6.10	-43.39
CCCC(NC(=O)CC1=CN(C)C2=CC=CC=C12)C1=NNN=N1	REAL000000002265	1	43	0.0	-11.82	349.52	5.78	-6.03
CCCC(NC(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000002266	0	35	-1.0	-44.92	318.61	4.70	-40.23
CCCC(NC(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000002266	1	35	-1.0	-44.92	318.56	4.69	-40.23
CCCC(NC(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C1=NNN=N1	REAL000000002266	1	36	0.0	-12.95	321.99	4.71	-8.24
CCCC(NC(=O)C1=CC=C(Br)C(F)=C1)C1=NN=N[N-]1	REAL000000002267	0	32	-1.0	-41.73	301.34	4.31	-37.42
CCCC(NC(=O)C1=CC=C(Br)C(F)=C1)C1=N[N-]N=N1	REAL000000002267	1	32	-1.0	-41.73	301.28	4.31	-37.42
CCCC(NC(=O)C1=CC=C(Br)C(F)=C1)C1=NNN=N1	REAL000000002267	1	33	0.0	-6.66	297.52	4.00	-2.66
CCCC(NC(=O)C(C)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002268	0	42	-1.0	-50.40	352.44	5.45	-44.94
CCCC(NC(=O)C(C)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002268	1	42	-1.0	-50.40	352.38	5.44	-44.96
CCCC(NC(=O)C(C)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000002268	1	43	0.0	-14.41	356.61	5.41	-8.99
CCCC(NC(=O)CCOC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL000000002269	0	45	-1.0	-52.90	389.53	1.50	-51.39
CCCC(NC(=O)CCOC1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL000000002269	1	45	-1.0	-52.90	389.47	1.50	-51.39
CCCC(NC(=O)CCOC1=CC=C(S(C)(=O)=O)C=C1)C1=NNN=N1	REAL000000002269	1	46	0.0	-16.14	385.73	1.19	-14.95
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CC)C=C1)C1=NN=N[N-]1	REAL000000002270	0	41	-1.0	-50.40	356.47	2.08	-48.32
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CC)C=C1)C1=N[N-]N=N1	REAL000000002270	1	41	-1.0	-50.39	356.41	2.08	-48.32
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CC)C=C1)C1=NNN=N1	REAL000000002270	1	42	0.0	-18.01	359.85	2.09	-15.92
CCCC(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000002271	0	45	-1.0	-42.91	362.91	1.36	-41.55
CCCC(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000002271	1	45	-1.0	-42.91	362.85	1.35	-41.56
CCCC(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000002271	1	46	0.0	-11.42	366.29	1.37	-10.05
CCCC(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000002272	0	45	-1.0	-45.25	362.91	1.36	-43.89
CCCC(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000002272	1	45	-1.0	-45.24	362.85	1.35	-43.89
CCCC(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000002272	1	46	0.0	-10.56	366.28	1.37	-9.19
CCCC(NC(=O)C1=NN(C2=CC=C([N+](=O)[O-])C=C2)C=C1)C1=NN=N[N-]1	REAL000000002273	0	41	-1.0	-50.29	363.93	5.49	-44.80
CCCC(NC(=O)C1=NN(C2=CC=C([N+](=O)[O-])C=C2)C=C1)C1=N[N-]N=N1	REAL000000002273	1	41	-1.0	-50.29	363.87	5.48	-44.81
CCCC(NC(=O)C1=NN(C2=CC=C([N+](=O)[O-])C=C2)C=C1)C1=NNN=N1	REAL000000002273	1	42	0.0	-13.21	360.13	5.17	-8.05
CCCC(NC(=O)C1=CN(C2=CC=CC=C2F)N=C1)C1=NN=N[N-]1	REAL000000002274	0	39	-1.0	-50.14	339.71	4.95	-45.19
CCCC(NC(=O)C1=CN(C2=CC=CC=C2F)N=C1)C1=N[N-]N=N1	REAL000000002274	1	39	-1.0	-50.14	339.65	4.95	-45.18
CCCC(NC(=O)C1=CN(C2=CC=CC=C2F)N=C1)C1=NNN=N1	REAL000000002274	1	40	0.0	-15.62	343.09	4.96	-10.65
CCCC(NC(=O)C=C(C)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000002275	0	39	-1.0	-43.40	335.28	5.73	-37.68
CCCC(NC(=O)C=C(C)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000002275	1	39	-1.0	-43.40	335.23	5.72	-37.68
CCCC(NC(=O)C=C(C)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000002275	1	40	0.0	-6.80	331.46	5.40	-1.40
CCCC(NC(=O)CCOC1=CC=C(CCC(C)=O)C=C1)C1=NN=N[N-]1	REAL000000002276	0	50	-1.0	-48.89	416.44	6.09	-42.81
CCCC(NC(=O)CCOC1=CC=C(CCC(C)=O)C=C1)C1=N[N-]N=N1	REAL000000002276	1	50	-1.0	-48.88	416.38	6.09	-42.80
CCCC(NC(=O)CCOC1=CC=C(CCC(C)=O)C=C1)C1=NNN=N1	REAL000000002276	1	51	0.0	-14.52	419.82	6.09	-8.42
CCCC(NC(=O)CCCOC1=CC=CC(C(C)=O)=C1)C1=NN=N[N-]1	REAL000000002277	0	47	-1.0	-57.14	393.12	5.23	-51.91
CCCC(NC(=O)CCCOC1=CC=CC(C(C)=O)=C1)C1=N[N-]N=N1	REAL000000002277	1	47	-1.0	-57.14	393.06	5.22	-51.91
CCCC(NC(=O)CCCOC1=CC=CC(C(C)=O)=C1)C1=NNN=N1	REAL000000002277	1	48	0.0	-21.12	394.22	5.14	-15.99
CCCC(NC(=O)CNC(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002278	0	43	-1.0	-44.79	370.24	2.40	-42.39
CCCC(NC(=O)CNC(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002278	1	43	-1.0	-44.79	370.18	2.40	-42.39
CCCC(NC(=O)CNC(=O)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000002278	1	44	0.0	-9.89	366.45	2.08	-7.81
CCCC(NC(=O)CC(C)(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002279	0	44	-1.0	-44.13	344.37	5.90	-38.23
CCCC(NC(=O)CC(C)(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002279	1	44	-1.0	-44.12	344.31	5.89	-38.24
CCCC(NC(=O)CC(C)(C)C1=CC=CC=C1)C1=NNN=N1	REAL000000002279	1	45	0.0	-9.39	347.75	5.90	-3.48
CCCC(NC(=O)C1=CC=CC(CS(=O)(=O)NC(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000002280	0	52	-1.0	-58.71	421.81	2.50	-56.21
CCCC(NC(=O)C1=CC=CC(CS(=O)(=O)NC(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000002280	1	52	-1.0	-58.72	421.75	2.50	-56.22
CCCC(NC(=O)C1=CC=CC(CS(=O)(=O)NC(C)(C)C)=C1)C1=NNN=N1	REAL000000002280	1	53	0.0	-19.63	425.19	2.51	-17.12
CCCC(NC(=O)CCC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000002281	0	40	-1.0	-57.13	339.89	5.50	-51.63
CCCC(NC(=O)CCC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000002281	1	40	-1.0	-57.12	339.84	5.49	-51.63
CCCC(NC(=O)CCC1=CC=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000002281	1	41	0.0	-14.48	343.27	5.51	-8.97
CCCC(NC(=O)CC1=C(C)N(C(F)F)N=C1C)C1=NN=N[N-]1	REAL000000002282	0	41	-1.0	-49.54	353.08	3.27	-46.26
CCCC(NC(=O)CC1=C(C)N(C(F)F)N=C1C)C1=N[N-]N=N1	REAL000000002282	1	41	-1.0	-49.53	353.02	3.26	-46.26
CCCC(NC(=O)CC1=C(C)N(C(F)F)N=C1C)C1=NNN=N1	REAL000000002282	1	42	0.0	-15.04	356.31	3.28	-11.76
CCCC(NC(=O)CCN1C=C([N+](=O)[O-])C=N1)C1=NN=N[N-]1	REAL000000002283	0	37	-1.0	-45.73	331.55	3.02	-42.71
CCCC(NC(=O)CCN1C=C([N+](=O)[O-])C=N1)C1=N[N-]N=N1	REAL000000002283	1	37	-1.0	-45.73	331.49	3.01	-42.72
CCCC(NC(=O)CCN1C=C([N+](=O)[O-])C=N1)C1=NNN=N1	REAL000000002283	1	38	0.0	-13.62	334.92	3.03	-10.59
CCCC(NC(=O)CCN1C=C([N+](=O)[O-])N=C1C)C1=NN=N[N-]1	REAL000000002284	0	40	-1.0	-48.65	351.09	5.35	-43.30
CCCC(NC(=O)CCN1C=C([N+](=O)[O-])N=C1C)C1=N[N-]N=N1	REAL000000002284	1	40	-1.0	-48.64	351.03	5.34	-43.30
CCCC(NC(=O)CCN1C=C([N+](=O)[O-])N=C1C)C1=NNN=N1	REAL000000002284	1	41	0.0	-19.30	354.47	5.36	-13.95
CCCC(NC(=O)C1=CC=C(N(CC)CC)N=C1)C1=NN=N[N-]1	REAL000000002285	0	45	-1.0	-47.24	366.47	5.40	-41.84
CCCC(NC(=O)C1=CC=C(N(CC)CC)N=C1)C1=N[N-]N=N1	REAL000000002285	1	45	-1.0	-47.24	366.41	5.39	-41.85
CCCC(NC(=O)C1=CC=C(N(CC)CC)N=C1)C1=NNN=N1	REAL000000002285	1	46	0.0	-11.36	369.85	5.41	-5.96
CCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2OC)C=C1)C1=NN=N[N-]1	REAL000000002286	0	46	-1.0	-52.89	384.43	5.12	-47.77
CCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2OC)C=C1)C1=N[N-]N=N1	REAL000000002286	1	46	-1.0	-52.89	384.37	5.12	-47.77
CCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2OC)C=C1)C1=NNN=N1	REAL000000002286	1	47	0.0	-14.45	387.81	5.13	-9.32
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)N2C)C1=NN=N[N-]1	REAL000000002287	0	39	-1.0	-49.76	331.83	2.52	-47.25
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)N2C)C1=N[N-]N=N1	REAL000000002287	1	39	-1.0	-49.76	331.77	2.52	-47.24
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)N2C)C1=NNN=N1	REAL000000002287	1	40	0.0	-17.27	335.65	2.52	-14.75
CCCC(NC(=O)C1=CN(CC(=O)N(C)C)N=N1)C1=NN=N[N-]1	REAL000000002288	0	41	-1.0	-55.66	351.83	0.41	-55.25
CCCC(NC(=O)C1=CN(CC(=O)N(C)C)N=N1)C1=N[N-]N=N1	REAL000000002288	1	41	-1.0	-55.66	351.77	0.40	-55.26
CCCC(NC(=O)C1=CN(CC(=O)N(C)C)N=N1)C1=NNN=N1	REAL000000002288	1	42	0.0	-20.70	348.80	0.08	-20.62
CCCC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C1=NN=N[N-]1	REAL000000002289	0	56	0.0	-72.55	420.71	5.91	-66.64
CCCC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C1=N[N-]N=N1	REAL000000002289	1	56	0.0	-72.54	420.66	5.91	-66.64
CCCC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C1=NNN=N1	REAL000000002289	1	57	1.0	-46.00	424.10	5.91	-40.08
CCCC(NC(=O)CN1C(=O)CN2C(=CC3=CC=CC=C32)C1=O)C1=NN=N[N-]1	REAL000000002290	0	46	-1.0	-55.12	391.36	5.00	-50.12
CCCC(NC(=O)CN1C(=O)CN2C(=CC3=CC=CC=C32)C1=O)C1=N[N-]N=N1	REAL000000002290	1	46	-1.0	-55.12	391.30	4.99	-50.13
CCCC(NC(=O)CN1C(=O)CN2C(=CC3=CC=CC=C32)C1=O)C1=NNN=N1	REAL000000002290	1	47	0.0	-16.29	394.74	5.01	-11.28
CCCC(NC(=O)CC1=CSC(CC2=CC=C(F)C=C2)=N1)C1=NN=N[N-]1	REAL000000002291	0	44	-1.0	-55.14	392.22	6.03	-49.11
CCCC(NC(=O)CC1=CSC(CC2=CC=C(F)C=C2)=N1)C1=N[N-]N=N1	REAL000000002291	1	44	-1.0	-55.13	392.17	6.03	-49.11
CCCC(NC(=O)CC1=CSC(CC2=CC=C(F)C=C2)=N1)C1=NNN=N1	REAL000000002291	1	45	0.0	-12.29	388.41	5.71	-6.57
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C)C2=C1CCC2)C1=NN=N[N-]1	REAL000000002292	0	49	-1.0	-53.06	394.74	7.46	-45.60
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C)C2=C1CCC2)C1=N[N-]N=N1	REAL000000002292	1	49	-1.0	-53.06	394.68	7.46	-45.60
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C)C2=C1CCC2)C1=NNN=N1	REAL000000002292	1	50	0.0	-11.36	390.34	7.12	-4.24
CCCC(NC(=O)COC1=CC=C(C#N)C=C1Cl)C1=NN=N[N-]1	REAL000000002293	0	37	-1.0	-51.54	344.73	5.16	-46.39
CCCC(NC(=O)COC1=CC=C(C#N)C=C1Cl)C1=N[N-]N=N1	REAL000000002293	1	37	-1.0	-51.54	344.68	5.15	-46.39
CCCC(NC(=O)COC1=CC=C(C#N)C=C1Cl)C1=NNN=N1	REAL000000002293	1	38	0.0	-18.76	348.09	5.17	-13.59
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCSCC2)=CN1)C1=NN=N[N-]1	REAL000000002294	0	46	-1.0	-53.48	400.53	1.20	-52.28
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCSCC2)=CN1)C1=N[N-]N=N1	REAL000000002294	1	46	-1.0	-53.48	400.47	1.19	-52.29
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCSCC2)=CN1)C1=NNN=N1	REAL000000002294	1	47	0.0	-19.36	403.91	1.20	-18.16
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(Cl)S2)S1)C1=NN=N[N-]1	REAL000000002295	0	38	-1.0	-43.11	367.62	4.90	-38.21
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(Cl)S2)S1)C1=N[N-]N=N1	REAL000000002295	1	38	-1.0	-43.11	367.56	4.89	-38.22
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(Cl)S2)S1)C1=NNN=N1	REAL000000002295	1	39	0.0	-8.83	370.99	4.91	-3.92
CCCC(NC(=O)CC1=CC=CC(OC(C)C)=C1)C1=NN=N[N-]1	REAL000000002296	0	45	-1.0	-47.33	368.27	5.18	-42.15
CCCC(NC(=O)CC1=CC=CC(OC(C)C)=C1)C1=N[N-]N=N1	REAL000000002296	1	45	-1.0	-47.33	368.21	5.18	-42.15
CCCC(NC(=O)CC1=CC=CC(OC(C)C)=C1)C1=NNN=N1	REAL000000002296	1	46	0.0	-12.72	371.64	5.19	-7.52
CCCC(NC(=O)COCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002297	0	42	-1.0	-48.43	354.94	5.47	-42.96
CCCC(NC(=O)COCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002297	1	42	-1.0	-48.43	354.88	5.47	-42.96
CCCC(NC(=O)COCCC1=CC=CC=C1)C1=NNN=N1	REAL000000002297	1	43	0.0	-13.24	358.32	5.48	-7.76
CCCC(NC(=O)C1=CSC(C2=CC=CC=C2OC)=N1)C1=NN=N[N-]1	REAL000000002298	0	42	-1.0	-49.58	367.93	4.01	-45.57
CCCC(NC(=O)C1=CSC(C2=CC=CC=C2OC)=N1)C1=N[N-]N=N1	REAL000000002298	1	42	-1.0	-49.59	367.87	4.01	-45.57
CCCC(NC(=O)C1=CSC(C2=CC=CC=C2OC)=N1)C1=NNN=N1	REAL000000002298	1	43	0.0	-11.77	371.31	4.03	-7.74
CCCC(NC(=O)C1CC(=O)N(CCN2CCOCC2)C1)C1=NN=N[N-]1	REAL000000002299	0	52	-1.0	-49.61	411.68	0.72	-48.89
CCCC(NC(=O)C1CC(=O)N(CCN2CCOCC2)C1)C1=N[N-]N=N1	REAL000000002299	1	52	-1.0	-49.60	411.62	0.72	-48.89
CCCC(NC(=O)C1CC(=O)N(CCN2CCOCC2)C1)C1=NNN=N1	REAL000000002299	1	53	0.0	-15.29	415.06	0.73	-14.56
CCCC(NC(=O)C1=CC=C(CS(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL000000002300	0	40	-1.0	-58.77	352.61	-0.70	-59.47
CCCC(NC(=O)C1=CC=C(CS(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL000000002300	1	40	-1.0	-58.77	352.55	-0.71	-59.47
CCCC(NC(=O)C1=CC=C(CS(N)(=O)=O)C=C1)C1=NNN=N1	REAL000000002300	1	41	0.0	-21.45	355.84	-0.69	-22.14
CCCC(NC(=O)CCCCOC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL000000002301	0	51	-1.0	-54.42	432.52	3.06	-51.36
CCCC(NC(=O)CCCCOC1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL000000002301	1	51	-1.0	-54.41	432.46	3.05	-51.36
CCCC(NC(=O)CCCCOC1=CC=C(S(C)(=O)=O)C=C1)C1=NNN=N1	REAL000000002301	1	52	0.0	-19.81	435.89	3.07	-16.75
CCCC(NC(=O)C1=CC=C(C2=CC=CS2)NC1=O)C1=NN=N[N-]1	REAL000000002302	0	39	-1.0	-64.29	344.26	4.60	-59.69
CCCC(NC(=O)C1=CC=C(C2=CC=CS2)NC1=O)C1=N[N-]N=N1	REAL000000002302	1	39	-1.0	-64.30	344.20	4.59	-59.70
CCCC(NC(=O)C1=CC=C(C2=CC=CS2)NC1=O)C1=NNN=N1	REAL000000002302	1	40	0.0	-25.28	347.79	4.61	-20.66
CCCC(NC(=O)C1=CSC(CC(C)C)=N1)C1=NN=N[N-]1	REAL000000002303	0	40	-1.0	-46.38	344.67	3.58	-42.80
CCCC(NC(=O)C1=CSC(CC(C)C)=N1)C1=N[N-]N=N1	REAL000000002303	1	40	-1.0	-46.39	344.61	3.58	-42.81
CCCC(NC(=O)C1=CSC(CC(C)C)=N1)C1=NNN=N1	REAL000000002303	1	41	0.0	-9.63	346.64	3.38	-6.24
CCCC(NC(=O)CCCCC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000002304	0	47	-1.0	-45.98	384.78	7.36	-38.63
CCCC(NC(=O)CCCCC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000002304	1	47	-1.0	-45.99	384.72	7.35	-38.64
CCCC(NC(=O)CCCCC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000002304	1	48	0.0	-10.91	388.16	7.37	-3.54
CCCC(NC(=O)C1=CN(C2=CC=CC=C2Cl)N=C1)C1=NN=N[N-]1	REAL000000002305	0	39	-1.0	-48.63	347.43	5.51	-43.13
CCCC(NC(=O)C1=CN(C2=CC=CC=C2Cl)N=C1)C1=N[N-]N=N1	REAL000000002305	1	39	-1.0	-48.63	347.37	5.50	-43.13
CCCC(NC(=O)C1=CN(C2=CC=CC=C2Cl)N=C1)C1=NNN=N1	REAL000000002305	1	40	0.0	-13.98	350.81	5.52	-8.47
CCCC(NC(=O)COC1=CC=C([N+](=O)[O-])C(F)=C1)C1=NN=N[N-]1	REAL000000002306	0	38	-1.0	-48.68	340.62	4.91	-43.77
CCCC(NC(=O)COC1=CC=C([N+](=O)[O-])C(F)=C1)C1=N[N-]N=N1	REAL000000002306	1	38	-1.0	-48.68	340.56	4.91	-43.77
CCCC(NC(=O)COC1=CC=C([N+](=O)[O-])C(F)=C1)C1=NNN=N1	REAL000000002306	1	39	0.0	-15.17	336.80	4.50	-10.68
CCCC(NC(=O)C=CC1=CC=C(F)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000002307	0	38	-1.0	-52.84	341.00	5.50	-47.34
CCCC(NC(=O)C=CC1=CC=C(F)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000002307	1	38	-1.0	-52.85	340.94	5.49	-47.36
CCCC(NC(=O)C=CC1=CC=C(F)C=C1[N+](=O)[O-])C1=NNN=N1	REAL000000002307	1	39	0.0	-19.41	344.37	5.51	-13.90
CCCC(NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000002308	0	55	-1.0	-46.24	421.56	5.29	-40.95
CCCC(NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000002308	1	55	-1.0	-46.23	421.50	5.29	-40.94
CCCC(NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000002308	1	56	0.0	-11.32	417.77	4.97	-6.35
CCCC(NC(=O)C1COC2=CC(OC)=CC=C2C1)C1=NN=N[N-]1	REAL000000002309	0	44	-1.0	-45.25	358.49	3.47	-41.77
CCCC(NC(=O)C1COC2=CC(OC)=CC=C2C1)C1=N[N-]N=N1	REAL000000002309	1	44	-1.0	-45.25	358.43	3.48	-41.77
CCCC(NC(=O)C1COC2=CC(OC)=CC=C2C1)C1=NNN=N1	REAL000000002309	1	45	0.0	-11.74	361.75	3.50	-8.25
CCCC(NC(=O)C1=CN(C2=CC=CC=C2Cl)N=N1)C1=NN=N[N-]1	REAL000000002310	0	38	-1.0	-48.36	343.78	3.88	-44.48
CCCC(NC(=O)C1=CN(C2=CC=CC=C2Cl)N=N1)C1=N[N-]N=N1	REAL000000002310	1	38	-1.0	-48.35	343.72	3.88	-44.47
CCCC(NC(=O)C1=CN(C2=CC=CC=C2Cl)N=N1)C1=NNN=N1	REAL000000002310	1	39	0.0	-13.60	347.16	3.89	-9.71
CCCC(NC(=O)CCCC1=CC=C2CC3=CC=CC=C3C2=C1)C1=NN=N[N-]1	REAL000000002311	0	52	-1.0	-49.97	426.10	9.99	-39.98
CCCC(NC(=O)CCCC1=CC=C2CC3=CC=CC=C3C2=C1)C1=N[N-]N=N1	REAL000000002311	1	52	-1.0	-49.97	426.04	9.98	-39.98
CCCC(NC(=O)CCCC1=CC=C2CC3=CC=CC=C3C2=C1)C1=NNN=N1	REAL000000002311	1	53	0.0	-15.12	429.47	10.00	-5.12
CCCC(NC(=O)CCCOC1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL000000002312	0	42	-1.0	-51.01	362.98	4.88	-46.14
CCCC(NC(=O)CCCOC1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL000000002312	1	42	-1.0	-51.01	362.93	4.88	-46.14
CCCC(NC(=O)CCCOC1=CC=C(F)C=C1F)C1=NNN=N1	REAL000000002312	1	43	0.0	-16.46	366.36	4.89	-11.57
CCCC(NC(=O)CNC(=O)C1=NOC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000002313	0	45	-1.0	-47.23	391.96	3.16	-44.07
CCCC(NC(=O)CNC(=O)C1=NOC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000002313	1	45	-1.0	-47.22	391.90	3.15	-44.08
CCCC(NC(=O)CNC(=O)C1=NOC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000002313	1	46	0.0	-13.32	395.34	3.17	-10.15
CCCC(NC(=O)CCN1C=C(S(N)(=O)=O)C=N1)C1=NN=N[N-]1	REAL000000002314	0	40	-1.0	-51.15	357.80	-2.83	-53.98
CCCC(NC(=O)CCN1C=C(S(N)(=O)=O)C=N1)C1=N[N-]N=N1	REAL000000002314	1	40	-1.0	-51.15	357.74	-2.83	-53.98
CCCC(NC(=O)CCN1C=C(S(N)(=O)=O)C=N1)C1=NNN=N1	REAL000000002314	1	41	0.0	-17.58	361.17	-2.82	-20.41
CCCC(NC(=O)C1=CC=C(C2=CC=C(F)C=C2)N1C)C1=NN=N[N-]1	REAL000000002315	0	43	-1.0	-48.41	355.98	6.51	-41.90
CCCC(NC(=O)C1=CC=C(C2=CC=C(F)C=C2)N1C)C1=N[N-]N=N1	REAL000000002315	1	43	-1.0	-48.42	355.92	6.51	-41.91
CCCC(NC(=O)C1=CC=C(C2=CC=C(F)C=C2)N1C)C1=NNN=N1	REAL000000002315	1	44	0.0	-11.57	361.93	6.34	-5.23
CCCC(NC(=O)C1=CN=C2C(=C1)C=NN2CC(C)C)C1=NN=N[N-]1	REAL000000002316	0	46	-1.0	-45.71	380.41	5.23	-40.47
CCCC(NC(=O)C1=CN=C2C(=C1)C=NN2CC(C)C)C1=N[N-]N=N1	REAL000000002316	1	46	-1.0	-45.70	380.35	5.23	-40.47
CCCC(NC(=O)C1=CN=C2C(=C1)C=NN2CC(C)C)C1=NNN=N1	REAL000000002316	1	47	0.0	-12.64	381.83	4.72	-7.92
CCCC(NC(=O)C1=C(C)N=C(C(C)(C)C)S1)C1=NN=N[N-]1	REAL000000002317	0	43	-1.0	-44.85	360.59	3.97	-40.88
CCCC(NC(=O)C1=C(C)N=C(C(C)(C)C)S1)C1=N[N-]N=N1	REAL000000002317	1	43	-1.0	-44.85	360.53	3.96	-40.89
CCCC(NC(=O)C1=C(C)N=C(C(C)(C)C)S1)C1=NNN=N1	REAL000000002317	1	44	0.0	-7.35	356.76	3.65	-3.70
CCCC(NC(=O)C1=CN2C(C)=NN=C2C=C1)C1=NN=N[N-]1	REAL000000002318	0	37	-1.0	-46.28	317.18	4.77	-41.52
CCCC(NC(=O)C1=CN2C(C)=NN=C2C=C1)C1=N[N-]N=N1	REAL000000002318	1	37	-1.0	-46.28	317.12	4.76	-41.52
CCCC(NC(=O)C1=CN2C(C)=NN=C2C=C1)C1=NNN=N1	REAL000000002318	1	38	0.0	-16.77	320.56	4.77	-12.00
CCCC(NC(=O)CSCC(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000002319	0	41	-1.0	-54.89	380.18	6.07	-48.82
CCCC(NC(=O)CSCC(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000002319	1	41	-1.0	-54.89	380.12	6.07	-48.83
CCCC(NC(=O)CSCC(=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000002319	1	42	0.0	-20.22	383.55	6.08	-14.14
CCCC(NC(=O)CN1C=C(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000002320	0	42	-1.0	-49.09	354.06	6.48	-42.62
CCCC(NC(=O)CN1C=C(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000002320	1	42	-1.0	-49.09	354.00	6.47	-42.62
CCCC(NC(=O)CN1C=C(C)C2=CC=CC=C21)C1=NNN=N1	REAL000000002320	1	43	0.0	-12.39	350.25	6.15	-6.24
CCCCN(CC)C1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000002321	0	52	-1.0	-48.20	412.24	7.49	-40.70
CCCCN(CC)C1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000002321	1	52	-1.0	-48.20	412.18	7.49	-40.71
CCCCN(CC)C1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000002321	1	53	0.0	-11.15	415.62	7.51	-3.64
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C(C(C)C)=N1)C1=NN=N[N-]1	REAL000000002322	0	47	-1.0	-57.33	407.37	6.85	-50.48
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C(C(C)C)=N1)C1=N[N-]N=N1	REAL000000002322	1	47	-1.0	-57.33	407.31	6.84	-50.49
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C(C(C)C)=N1)C1=NNN=N1	REAL000000002322	1	48	0.0	-14.89	403.35	6.52	-8.37
CCCC(NC(=O)C1=CNC2=CC=C([N+](=O)[O-])C=C12)C1=NN=N[N-]1	REAL000000002323	0	38	-1.0	-61.66	334.93	4.30	-57.36
CCCC(NC(=O)C1=CNC2=CC=C([N+](=O)[O-])C=C12)C1=N[N-]N=N1	REAL000000002323	1	38	-1.0	-61.66	334.87	4.30	-57.36
CCCC(NC(=O)C1=CNC2=CC=C([N+](=O)[O-])C=C12)C1=NNN=N1	REAL000000002323	1	39	0.0	-24.29	338.31	4.31	-19.98
CCCC(NC(=O)CN1C=C(S(N)(=O)=O)C=N1)C1=NN=N[N-]1	REAL000000002324	0	37	-1.0	-61.31	335.61	-3.38	-64.69
CCCC(NC(=O)CN1C=C(S(N)(=O)=O)C=N1)C1=N[N-]N=N1	REAL000000002324	1	37	-1.0	-61.30	335.55	-3.39	-64.69
CCCC(NC(=O)CN1C=C(S(N)(=O)=O)C=N1)C1=NNN=N1	REAL000000002324	1	38	0.0	-24.57	339.01	-3.38	-27.94
CCCC(NC(=O)C1=CN(CC(OCC)OCC)N=N1)C1=NN=N[N-]1	REAL000000002325	0	48	-1.0	-46.71	399.58	1.74	-44.97
CCCC(NC(=O)C1=CN(CC(OCC)OCC)N=N1)C1=N[N-]N=N1	REAL000000002325	1	48	-1.0	-46.71	399.52	1.74	-44.97
CCCC(NC(=O)C1=CN(CC(OCC)OCC)N=N1)C1=NNN=N1	REAL000000002325	1	49	0.0	-12.68	402.95	1.75	-10.93
CCCC(NC(=O)CSCC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002326	0	41	-1.0	-56.23	363.47	5.56	-50.67
CCCC(NC(=O)CSCC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002326	1	41	-1.0	-56.22	363.41	5.55	-50.67
CCCC(NC(=O)CSCC(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000002326	1	42	0.0	-20.75	366.84	5.57	-15.18
CCCC(NC(=O)CC1=CN(CC)C2=CC=CC=C12)C1=NN=N[N-]1	REAL000000002327	0	45	-1.0	-48.98	375.18	7.01	-41.97
CCCC(NC(=O)CC1=CN(CC)C2=CC=CC=C12)C1=N[N-]N=N1	REAL000000002327	1	45	-1.0	-48.97	375.13	7.00	-41.97
CCCC(NC(=O)CC1=CN(CC)C2=CC=CC=C12)C1=NNN=N1	REAL000000002327	1	46	0.0	-11.34	371.37	6.69	-4.66
CCCC(NC(=O)C1=CSC(C2=CC=C([N+](=O)[O-])C=C2)=N1)C1=NN=N[N-]1	REAL000000002328	0	40	-1.0	-47.76	369.79	5.12	-42.63
CCCC(NC(=O)C1=CSC(C2=CC=C([N+](=O)[O-])C=C2)=N1)C1=N[N-]N=N1	REAL000000002328	1	40	-1.0	-47.75	369.74	5.12	-42.63
CCCC(NC(=O)C1=CSC(C2=CC=C([N+](=O)[O-])C=C2)=N1)C1=NNN=N1	REAL000000002328	1	41	0.0	-13.24	373.17	5.13	-8.11
CCCC(NC(=O)C1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1)C1=NN=N[N-]1	REAL000000002329	0	40	-1.0	-47.19	369.81	5.12	-42.06
CCCC(NC(=O)C1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1)C1=N[N-]N=N1	REAL000000002329	1	40	-1.0	-47.19	369.75	5.12	-42.07
CCCC(NC(=O)C1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1)C1=NNN=N1	REAL000000002329	1	41	0.0	-13.40	373.19	5.13	-8.27
CCCC(NC(=O)C1=CC=CC(CN2CCS(=O)(=O)CC2)=C1)C1=NN=N[N-]1	REAL000000002330	0	50	-1.0	-54.93	410.17	1.33	-53.60
CCCC(NC(=O)C1=CC=CC(CN2CCS(=O)(=O)CC2)=C1)C1=N[N-]N=N1	REAL000000002330	1	50	-1.0	-54.92	410.11	1.33	-53.59
CCCC(NC(=O)C1=CC=CC(CN2CCS(=O)(=O)CC2)=C1)C1=NNN=N1	REAL000000002330	1	51	0.0	-19.73	413.55	1.34	-18.40
CCCC(NC(=O)CCC1=NC(C2=NNC=N2)=NO1)C1=NN=N[N-]1	REAL000000002331	0	39	-1.0	-52.58	346.70	0.86	-51.72
CCCC(NC(=O)CCC1=NC(C2=NNC=N2)=NO1)C1=N[N-]N=N1	REAL000000002331	1	39	-1.0	-52.58	346.64	0.86	-51.72
CCCC(NC(=O)CCC1=NC(C2=NNC=N2)=NO1)C1=NNN=N1	REAL000000002331	1	40	0.0	-20.52	350.07	0.87	-19.65
CCCC(NC(=O)C(C)OCC1CCCCO1)C1=NN=N[N-]1	REAL000000002332	0	46	-1.0	-52.33	367.73	3.73	-48.60
CCCC(NC(=O)C(C)OCC1CCCCO1)C1=N[N-]N=N1	REAL000000002332	1	46	-1.0	-52.34	367.67	3.72	-48.62
CCCC(NC(=O)C(C)OCC1CCCCO1)C1=NNN=N1	REAL000000002332	1	47	0.0	-15.42	371.10	3.74	-11.68
CCCC(NC(=O)CCCOC1=CC=CC(Cl)=C1Cl)C1=NN=N[N-]1	REAL000000002333	0	42	-1.0	-51.68	381.56	5.76	-45.92
CCCC(NC(=O)CCCOC1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL000000002333	1	42	-1.0	-51.67	381.50	5.76	-45.91
CCCC(NC(=O)CCCOC1=CC=CC(Cl)=C1Cl)C1=NNN=N1	REAL000000002333	1	43	0.0	-16.75	384.93	5.77	-10.98
CCCC(NC(=O)C(C)OC1=CC=C(CCC(C)=O)C=C1)C1=NN=N[N-]1	REAL000000002334	0	50	-1.0	-51.42	412.81	6.91	-44.50
CCCC(NC(=O)C(C)OC1=CC=C(CCC(C)=O)C=C1)C1=N[N-]N=N1	REAL000000002334	1	50	-1.0	-51.41	412.75	6.90	-44.51
CCCC(NC(=O)C(C)OC1=CC=C(CCC(C)=O)C=C1)C1=NNN=N1	REAL000000002334	1	51	0.0	-17.35	415.51	6.97	-10.38
CCCC(NC(=O)C1=CN=C(C2=CC=C(C)C=C2C)S1)C1=NN=N[N-]1	REAL000000002335	0	44	-1.0	-45.88	382.65	5.97	-39.91
CCCC(NC(=O)C1=CN=C(C2=CC=C(C)C=C2C)S1)C1=N[N-]N=N1	REAL000000002335	1	44	-1.0	-45.88	382.59	5.97	-39.91
CCCC(NC(=O)C1=CN=C(C2=CC=C(C)C=C2C)S1)C1=NNN=N1	REAL000000002335	1	45	0.0	-11.12	386.03	5.98	-5.14
CCCC(NC(=O)C(C)OC1=CC=CC(C(C)=O)=C1)C1=NN=N[N-]1	REAL000000002336	0	44	-1.0	-59.50	367.29	5.33	-54.17
CCCC(NC(=O)C(C)OC1=CC=CC(C(C)=O)=C1)C1=N[N-]N=N1	REAL000000002336	1	44	-1.0	-59.50	367.23	5.32	-54.17
CCCC(NC(=O)C(C)OC1=CC=CC(C(C)=O)=C1)C1=NNN=N1	REAL000000002336	1	45	0.0	-22.48	371.46	5.30	-17.18
CCCC(NC(=O)C1=CSC(C2=CC=C(Cl)C=C2Cl)=N1)C1=NN=N[N-]1	REAL000000002337	0	38	-1.0	-47.83	370.71	5.86	-41.97
CCCC(NC(=O)C1=CSC(C2=CC=C(Cl)C=C2Cl)=N1)C1=N[N-]N=N1	REAL000000002337	1	38	-1.0	-47.83	370.65	5.85	-41.98
CCCC(NC(=O)C1=CSC(C2=CC=C(Cl)C=C2Cl)=N1)C1=NNN=N1	REAL000000002337	1	39	0.0	-10.60	374.09	5.86	-4.73
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CCCC#N)C=C1)C1=NN=N[N-]1	REAL000000002338	0	45	-1.0	-57.83	398.81	3.39	-54.44
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CCCC#N)C=C1)C1=N[N-]N=N1	REAL000000002338	1	45	-1.0	-57.84	398.77	3.38	-54.45
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CCCC#N)C=C1)C1=NNN=N1	REAL000000002338	1	46	0.0	-27.00	402.20	3.40	-23.59
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(C#N)C=C2)C1)C1=NN=N[N-]1	REAL000000002339	0	44	-1.0	-48.68	373.86	4.99	-43.70
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(C#N)C=C2)C1)C1=N[N-]N=N1	REAL000000002339	1	44	-1.0	-48.68	373.81	4.98	-43.70
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(C#N)C=C2)C1)C1=NNN=N1	REAL000000002339	1	45	0.0	-17.18	377.75	5.00	-12.18
CCCC(NC(=O)C=C(C)C1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000002340	0	42	-1.0	-43.32	367.59	6.63	-36.68
CCCC(NC(=O)C=C(C)C1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000002340	1	42	-1.0	-43.32	367.53	6.62	-36.69
CCCC(NC(=O)C=C(C)C1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000002340	1	43	0.0	-9.58	370.97	6.65	-2.93
CCCC(NC(=O)CC1=CC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL000000002341	0	35	-1.0	-44.25	329.94	5.26	-38.99
CCCC(NC(=O)CC1=CC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL000000002341	1	35	-1.0	-44.24	329.89	5.26	-38.99
CCCC(NC(=O)CC1=CC(Cl)=CC=C1Cl)C1=NNN=N1	REAL000000002341	1	36	0.0	-10.81	333.32	5.26	-5.54
CCCC(NC(=O)C1=CC=CC(CS(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000002342	0	40	-1.0	-60.71	352.61	-0.70	-61.41
CCCC(NC(=O)C1=CC=CC(CS(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000002342	1	40	-1.0	-60.71	352.56	-0.71	-61.42
CCCC(NC(=O)C1=CC=CC(CS(N)(=O)=O)=C1)C1=NNN=N1	REAL000000002342	1	41	0.0	-19.09	348.66	-1.01	-20.10
CCCC(NC(=O)C(C)C1=C(C)N(C)N=C1C)C1=NN=N[N-]1	REAL000000002343	0	44	-1.0	-52.60	348.46	3.45	-49.14
CCCC(NC(=O)C(C)C1=C(C)N(C)N=C1C)C1=N[N-]N=N1	REAL000000002343	1	44	-1.0	-52.59	348.38	3.46	-49.13
CCCC(NC(=O)C(C)C1=C(C)N(C)N=C1C)C1=NNN=N1	REAL000000002343	1	45	0.0	-15.85	352.70	3.50	-12.36
CCCC(NC(=O)CCC(=O)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000002344	0	44	-1.0	-45.34	369.90	4.29	-41.05
CCCC(NC(=O)CCC(=O)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000002344	1	44	-1.0	-45.34	369.84	4.28	-41.06
CCCC(NC(=O)CCC(=O)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000002344	1	45	0.0	-12.13	373.28	4.30	-7.83
CCCC(NC(=O)COC1=CC=C([N+](=O)[O-])C(OC)=C1)C1=NN=N[N-]1	REAL000000002345	0	42	-1.0	-51.33	363.39	4.98	-46.35
CCCC(NC(=O)COC1=CC=C([N+](=O)[O-])C(OC)=C1)C1=N[N-]N=N1	REAL000000002345	1	42	-1.0	-51.33	363.33	4.98	-46.35
CCCC(NC(=O)COC1=CC=C([N+](=O)[O-])C(OC)=C1)C1=NNN=N1	REAL000000002345	1	43	0.0	-20.57	366.77	4.99	-15.58
CCCC(NC(=O)CCOC1=CC=C(C(C)C)C=C1)C1=NN=N[N-]1	REAL000000002346	0	48	-1.0	-45.10	389.04	5.90	-39.20
CCCC(NC(=O)CCOC1=CC=C(C(C)C)C=C1)C1=N[N-]N=N1	REAL000000002346	1	48	-1.0	-45.11	388.99	5.89	-39.21
CCCC(NC(=O)CCOC1=CC=C(C(C)C)C=C1)C1=NNN=N1	REAL000000002346	1	49	0.0	-10.67	392.43	5.91	-4.76
CCCC(NC(=O)C1=CC=CC2=C1OCCO2)C1=NN=N[N-]1	REAL000000002347	0	38	-1.0	-52.19	316.58	3.92	-48.26
CCCC(NC(=O)C1=CC=CC2=C1OCCO2)C1=N[N-]N=N1	REAL000000002347	1	38	-1.0	-52.18	316.52	3.92	-48.27
CCCC(NC(=O)C1=CC=CC2=C1OCCO2)C1=NNN=N1	REAL000000002347	1	39	0.0	-11.68	312.77	3.49	-8.19
CCCC(NC(=O)CCOC1=CC=C(C)C=C1Br)C1=NN=N[N-]1	REAL000000002348	0	42	-1.0	-44.47	370.67	5.31	-39.15
CCCC(NC(=O)CCOC1=CC=C(C)C=C1Br)C1=N[N-]N=N1	REAL000000002348	1	42	-1.0	-44.46	370.62	5.30	-39.15
CCCC(NC(=O)CCOC1=CC=C(C)C=C1Br)C1=NNN=N1	REAL000000002348	1	43	0.0	-10.75	374.05	5.32	-5.43
CCCC(NC(=O)C1=CC(Br)=CS1)C1=NN=N[N-]1	REAL000000002349	0	29	-1.0	-44.37	287.96	3.26	-41.10
CCCC(NC(=O)C1=CC(Br)=CS1)C1=N[N-]N=N1	REAL000000002349	1	29	-1.0	-44.37	287.91	3.25	-41.11
CCCC(NC(=O)C1=CC(Br)=CS1)C1=NNN=N1	REAL000000002349	1	30	0.0	-10.16	291.34	3.27	-6.89
CCCC(NC(=O)CNC(=O)NCC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL000000002350	0	46	-1.0	-47.51	402.11	2.19	-45.31
CCCC(NC(=O)CNC(=O)NCC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL000000002350	1	46	-1.0	-47.49	402.05	2.19	-45.30
CCCC(NC(=O)CNC(=O)NCC1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000002350	1	47	0.0	-16.50	405.48	2.20	-14.30
CCCC(NC(=O)C1=NOC(C2=CC=C(OC)C=C2F)=C1)C1=NN=N[N-]1	REAL000000002351	0	42	-1.0	-45.79	369.74	4.08	-41.71
CCCC(NC(=O)C1=NOC(C2=CC=C(OC)C=C2F)=C1)C1=N[N-]N=N1	REAL000000002351	1	42	-1.0	-45.79	369.69	4.08	-41.71
CCCC(NC(=O)C1=NOC(C2=CC=C(OC)C=C2F)=C1)C1=NNN=N1	REAL000000002351	1	43	0.0	-10.98	373.12	4.09	-6.89
CCCC(NC(=O)C1=CC=C(Cl)C(NS(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000002352	0	40	-1.0	-54.87	362.32	0.95	-53.92
CCCC(NC(=O)C1=CC=C(Cl)C(NS(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000002352	1	40	-1.0	-54.87	362.26	0.94	-53.93
CCCC(NC(=O)C1=CC=C(Cl)C(NS(C)(=O)=O)=C1)C1=NNN=N1	REAL000000002352	1	41	0.0	-15.55	358.52	0.62	-14.93
CCCC(NC(=O)C1=CC=C(N2CCOCC2)C=C1)C1=NN=N[N-]1	REAL000000002353	0	45	-1.0	-47.49	358.13	2.50	-44.99
CCCC(NC(=O)C1=CC=C(N2CCOCC2)C=C1)C1=N[N-]N=N1	REAL000000002353	1	45	-1.0	-47.50	358.07	2.49	-45.01
CCCC(NC(=O)C1=CC=C(N2CCOCC2)C=C1)C1=NNN=N1	REAL000000002353	1	46	0.0	-11.99	361.50	2.51	-9.48
CCCC(NC(=O)C1=CC=CC(CSC2=NC=CN2C)=C1)C1=NN=N[N-]1	REAL000000002354	0	46	-1.0	-52.57	400.15	7.15	-45.42
CCCC(NC(=O)C1=CC=CC(CSC2=NC=CN2C)=C1)C1=N[N-]N=N1	REAL000000002354	1	46	-1.0	-52.57	400.09	7.15	-45.42
CCCC(NC(=O)C1=CC=CC(CSC2=NC=CN2C)=C1)C1=NNN=N1	REAL000000002354	1	47	0.0	-13.10	396.33	6.83	-6.26
CCCC(NC(=O)CCCC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000002355	0	45	-1.0	-48.88	371.38	5.21	-43.67
CCCC(NC(=O)CCCC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000002355	1	45	-1.0	-48.88	371.32	5.20	-43.67
CCCC(NC(=O)CCCC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000002355	1	46	0.0	-13.66	374.76	5.22	-8.44
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C(CC)=N1)C1=NN=N[N-]1	REAL000000002356	0	44	-1.0	-57.30	386.68	6.42	-50.88
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C(CC)=N1)C1=N[N-]N=N1	REAL000000002356	1	44	-1.0	-57.30	386.62	6.41	-50.89
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C(CC)=N1)C1=NNN=N1	REAL000000002356	1	45	0.0	-15.04	382.85	6.09	-8.94
CCCC(NC(=O)CCC1=CC=C(Br)C=C1F)C1=NN=N[N-]1	REAL000000002357	0	38	-1.0	-43.34	347.13	5.78	-37.55
CCCC(NC(=O)CCC1=CC=C(Br)C=C1F)C1=N[N-]N=N1	REAL000000002357	1	38	-1.0	-43.34	347.07	5.77	-37.57
CCCC(NC(=O)CCC1=CC=C(Br)C=C1F)C1=NNN=N1	REAL000000002357	1	39	0.0	-11.22	350.50	5.79	-5.43
CCCC(NC(=O)C1=CC=C(N(CC)CC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000002358	0	53	-1.0	-49.44	424.14	8.76	-40.68
CCCC(NC(=O)C1=CC=C(N(CC)CC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000002358	1	53	-1.0	-49.45	424.08	8.75	-40.70
CCCC(NC(=O)C1=CC=C(N(CC)CC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000002358	1	54	0.0	-12.49	427.51	8.77	-3.71
CCCC(NC(=O)C(C)CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000002359	0	41	-1.0	-44.07	342.20	5.67	-38.41
CCCC(NC(=O)C(C)CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000002359	1	41	-1.0	-44.07	342.14	5.67	-38.40
CCCC(NC(=O)C(C)CC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000002359	1	42	0.0	-7.64	338.34	5.35	-2.29
CCCC(NC(=O)C(C)CC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL000000002360	0	41	-1.0	-43.89	342.15	5.66	-38.23
CCCC(NC(=O)C(C)CC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL000000002360	1	41	-1.0	-43.88	342.09	5.66	-38.22
CCCC(NC(=O)C(C)CC1=CC=CC(F)=C1)C1=NNN=N1	REAL000000002360	1	42	0.0	-10.66	345.53	5.67	-4.98
C=CCN1C(=O)C(=O)N(CC(=O)NC(CCC)C2=NN=N[N-]2)C1=O	REAL000000002361	0	40	-1.0	-50.12	358.56	2.18	-47.94
C=CCN1C(=O)C(=O)N(CC(=O)NC(CCC)C2=N[N-]N=N2)C1=O	REAL000000002361	1	40	-1.0	-50.12	358.50	2.18	-47.94
C=CCN1C(=O)C(=O)N(CC(=O)NC(CCC)C2=NNN=N2)C1=O	REAL000000002361	1	41	0.0	-15.59	361.93	2.19	-13.40
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1C)C1=NN=N[N-]1	REAL000000002362	0	37	-1.0	-44.20	318.61	5.01	-39.19
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1C)C1=N[N-]N=N1	REAL000000002362	1	37	-1.0	-44.19	318.55	5.00	-39.20
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1C)C1=NNN=N1	REAL000000002362	1	38	0.0	-9.16	314.82	4.68	-4.48
CCCC(NC(=O)CCCCC1SCC2NC(=O)NC12)C1=NN=N[N-]1	REAL000000002363	0	49	-1.0	-51.70	404.09	1.51	-50.19
CCCC(NC(=O)CCCCC1SCC2NC(=O)NC12)C1=N[N-]N=N1	REAL000000002363	1	49	-1.0	-51.71	404.03	1.51	-50.20
CCCC(NC(=O)CCCCC1SCC2NC(=O)NC12)C1=NNN=N1	REAL000000002363	1	50	0.0	-14.62	400.28	1.19	-13.43
CCCC(NC(=O)C1=CC=C(N(CC)C(C)C)C=C1)C1=NN=N[N-]1	REAL000000002364	0	49	-1.0	-48.33	380.17	6.25	-42.08
CCCC(NC(=O)C1=CC=C(N(CC)C(C)C)C=C1)C1=N[N-]N=N1	REAL000000002364	1	49	-1.0	-48.33	380.11	6.24	-42.09
CCCC(NC(=O)C1=CC=C(N(CC)C(C)C)C=C1)C1=NNN=N1	REAL000000002364	1	50	0.0	-11.17	383.54	6.26	-4.91
CCCC(NC(=O)C1=CC=NC(N2C=NC=N2)=C1)C1=NN=N[N-]1	REAL000000002365	0	37	-1.0	-51.91	325.05	5.51	-46.40
CCCC(NC(=O)C1=CC=NC(N2C=NC=N2)=C1)C1=N[N-]N=N1	REAL000000002365	1	37	-1.0	-51.91	325.00	5.50	-46.41
CCCC(NC(=O)C1=CC=NC(N2C=NC=N2)=C1)C1=NNN=N1	REAL000000002365	1	38	0.0	-18.31	328.43	5.52	-12.79
CCCC(NC(=O)CC1C(=O)NC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000002366	0	40	-1.0	-58.29	336.21	3.98	-54.31
CCCC(NC(=O)CC1C(=O)NC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000002366	1	40	-1.0	-58.28	336.16	3.97	-54.31
CCCC(NC(=O)CC1C(=O)NC2=CC=CC=C21)C1=NNN=N1	REAL000000002366	1	41	0.0	-17.40	338.98	4.07	-13.33
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C=C1)C1=NN=N[N-]1	REAL000000002367	0	39	-1.0	-52.75	348.11	5.51	-47.23
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C=C1)C1=N[N-]N=N1	REAL000000002367	1	39	-1.0	-52.75	348.05	5.50	-47.24
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C=C1)C1=NNN=N1	REAL000000002367	1	40	0.0	-12.39	344.31	5.19	-7.20
CCCC(NC(=O)C1=CN=C(C2=CC=CC=C2Cl)S1)C1=NN=N[N-]1	REAL000000002368	0	38	-1.0	-48.02	353.49	5.47	-42.56
CCCC(NC(=O)C1=CN=C(C2=CC=CC=C2Cl)S1)C1=N[N-]N=N1	REAL000000002368	1	38	-1.0	-48.02	353.43	5.47	-42.55
CCCC(NC(=O)C1=CN=C(C2=CC=CC=C2Cl)S1)C1=NNN=N1	REAL000000002368	1	39	0.0	-13.37	356.87	5.48	-7.89
CCCC(NC(=O)CNC1=CC(Cl)=CC=C1OC)C1=NN=N[N-]1	REAL000000002369	0	41	-1.0	-45.66	356.98	2.57	-43.10
CCCC(NC(=O)CNC1=CC(Cl)=CC=C1OC)C1=N[N-]N=N1	REAL000000002369	1	41	-1.0	-45.66	356.93	2.56	-43.11
CCCC(NC(=O)CNC1=CC(Cl)=CC=C1OC)C1=NNN=N1	REAL000000002369	1	42	0.0	-8.77	353.17	2.24	-6.53
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL000000002370	0	45	-1.0	-50.90	403.35	1.34	-49.55
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL000000002370	1	45	-1.0	-50.89	403.30	1.33	-49.55
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000002370	1	46	0.0	-19.32	406.73	1.35	-17.97
CCCC(NC(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000002371	0	46	-1.0	-49.50	382.42	6.73	-42.77
CCCC(NC(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000002371	1	46	-1.0	-49.49	382.37	6.73	-42.76
CCCC(NC(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000002371	1	47	0.0	-10.21	378.59	6.42	-3.79
CCCC(NC(=O)C1=CC=C(C[NH+](CC)CC)O1)C1=NN=N[N-]1	REAL000000002372	0	47	0.0	-65.63	374.41	5.23	-60.40
CCCC(NC(=O)C1=CC=C(C[NH+](CC)CC)O1)C1=N[N-]N=N1	REAL000000002372	1	47	0.0	-65.62	374.35	5.22	-60.41
CCCC(NC(=O)C1=CC=C(N(C)C)C(F)=C1)C1=NN=N[N-]1	REAL000000002373	0	40	-1.0	-44.03	335.03	3.22	-40.81
CCCC(NC(=O)C1=CC=C(N(C)C)C(F)=C1)C1=N[N-]N=N1	REAL000000002373	1	40	-1.0	-44.03	334.97	3.21	-40.83
CCCC(NC(=O)C1=CC=C(N(C)C)C(F)=C1)C1=NNN=N1	REAL000000002373	1	41	0.0	-12.91	338.41	3.22	-9.69
CCCC(NC(=O)CCCOC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL000000002374	0	42	-1.0	-50.92	366.38	5.29	-45.63
CCCC(NC(=O)CCCOC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL000000002374	1	42	-1.0	-50.92	366.32	5.29	-45.63
CCCC(NC(=O)CCCOC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000002374	1	43	0.0	-15.53	369.75	5.30	-10.23
CCCC(NC(=O)C1=NC(C(C)C)=NC=C1Cl)C1=NN=N[N-]1	REAL000000002375	0	39	-1.0	-43.09	342.68	3.41	-39.67
CCCC(NC(=O)C1=NC(C(C)C)=NC=C1Cl)C1=N[N-]N=N1	REAL000000002375	1	39	-1.0	-43.09	342.62	3.42	-39.67
CCCC(NC(=O)C1=NC(C(C)C)=NC=C1Cl)C1=NNN=N1	REAL000000002375	1	40	0.0	-8.60	346.05	3.42	-5.18
CCCC(NC(=O)C1=CC=C(C2=CC=CO2)NC1=O)C1=NN=N[N-]1	REAL000000002376	0	39	-1.0	-54.01	336.14	2.59	-51.43
CCCC(NC(=O)C1=CC=C(C2=CC=CO2)NC1=O)C1=N[N-]N=N1	REAL000000002376	1	39	-1.0	-54.03	336.08	2.58	-51.45
CCCC(NC(=O)C1=CC=C(C2=CC=CO2)NC1=O)C1=NNN=N1	REAL000000002376	1	40	0.0	-14.34	339.51	2.60	-11.74
CCCC(NC(=O)CCCOCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002377	0	45	-1.0	-49.46	375.90	5.20	-44.27
CCCC(NC(=O)CCCOCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002377	1	45	-1.0	-49.47	375.84	5.19	-44.28
CCCC(NC(=O)CCCOCC1=CC=CC=C1)C1=NNN=N1	REAL000000002377	1	46	0.0	-14.02	379.28	5.20	-8.82
CCCC(NC(=O)C1=CC=C(S(=O)(=O)C2CCCC2)C=C1)C1=NN=N[N-]1	REAL000000002378	0	48	-1.0	-51.51	397.88	4.00	-47.51
CCCC(NC(=O)C1=CC=C(S(=O)(=O)C2CCCC2)C=C1)C1=N[N-]N=N1	REAL000000002378	1	48	-1.0	-51.51	397.82	4.00	-47.51
CCCC(NC(=O)C1=CC=C(S(=O)(=O)C2CCCC2)C=C1)C1=NNN=N1	REAL000000002378	1	49	0.0	-13.63	394.08	3.67	-9.96
CCCC(NC(=O)C1=CC=C(N(C)CCC)C=C1)C1=NN=N[N-]1	REAL000000002379	0	46	-1.0	-48.17	368.94	5.77	-42.40
CCCC(NC(=O)C1=CC=C(N(C)CCC)C=C1)C1=N[N-]N=N1	REAL000000002379	1	46	-1.0	-48.17	368.88	5.77	-42.39
CCCC(NC(=O)C1=CC=C(N(C)CCC)C=C1)C1=NNN=N1	REAL000000002379	1	47	0.0	-11.38	372.32	5.78	-5.60
CCCC(NC(=O)CCCOC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL000000002380	0	48	-1.0	-55.77	411.03	2.27	-53.50
CCCC(NC(=O)CCCOC1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL000000002380	1	48	-1.0	-55.77	410.97	2.27	-53.50
CCCC(NC(=O)CCCOC1=CC=C(S(C)(=O)=O)C=C1)C1=NNN=N1	REAL000000002380	1	49	0.0	-18.73	407.20	1.95	-16.78
CCCC(NC(=O)CN1C=C([N+](=O)[O-])N=C1C)C1=NN=N[N-]1	REAL000000002381	0	37	-1.0	-54.61	330.99	4.85	-49.76
CCCC(NC(=O)CN1C=C([N+](=O)[O-])N=C1C)C1=N[N-]N=N1	REAL000000002381	1	37	-1.0	-54.60	330.93	4.85	-49.75
CCCC(NC(=O)CN1C=C([N+](=O)[O-])N=C1C)C1=NNN=N1	REAL000000002381	1	38	0.0	-24.43	334.37	4.86	-19.57
CCCC(NC(=O)C1=CC=C(C[N@H+](CC)CCC)C=C1)C1=NN=N[N-]1	REAL000000002382	0	53	0.0	-72.69	410.10	7.65	-65.04
CCCC(NC(=O)C1=CC=C(C[N@@H+](CC)CCC)C=C1)C1=NN=N[N-]1	REAL000000002382	1	53	0.0	-72.77	409.64	7.63	-65.14
CCCC(NC(=O)C1=CC=C(C[N@H+](CC)CCC)C=C1)C1=N[N-]N=N1	REAL000000002382	1	53	0.0	-72.68	410.04	7.65	-65.04
CCCC(NC(=O)C1=CC=C(C[N@@H+](CC)CCC)C=C1)C1=N[N-]N=N1	REAL000000002382	1	53	0.0	-72.76	409.58	7.63	-65.13
CCCC(NC(=O)C1=CC=C(C[N@H+](CC)CCC)C=C1)C1=NNN=N1	REAL000000002382	1	54	1.0	-46.34	413.47	7.66	-38.69
CCCC(NC(=O)C1=CC=C(C[N@@H+](CC)CCC)C=C1)C1=NNN=N1	REAL000000002382	1	54	1.0	-46.21	413.01	7.64	-38.57
CCCC(NC(=O)C1=CC=C(N(CC)CCC)N=C1)C1=NN=N[N-]1	REAL000000002383	0	48	-1.0	-47.12	387.97	6.17	-40.95
CCCC(NC(=O)C1=CC=C(N(CC)CCC)N=C1)C1=N[N-]N=N1	REAL000000002383	1	48	-1.0	-47.11	387.91	6.16	-40.96
CCCC(NC(=O)C1=CC=C(N(CC)CCC)N=C1)C1=NNN=N1	REAL000000002383	1	49	0.0	-11.21	391.35	6.18	-5.03
CCCC(NC(=O)C1=CSC(C2=CC=C(Cl)C(Cl)=C2)=N1)C1=NN=N[N-]1	REAL000000002384	0	38	-1.0	-47.07	373.50	5.43	-41.63
CCCC(NC(=O)C1=CSC(C2=CC=C(Cl)C(Cl)=C2)=N1)C1=N[N-]N=N1	REAL000000002384	1	38	-1.0	-47.07	373.44	5.42	-41.64
CCCC(NC(=O)C1=CSC(C2=CC=C(Cl)C(Cl)=C2)=N1)C1=NNN=N1	REAL000000002384	1	39	0.0	-10.71	376.87	5.44	-5.27
CCCC(NC(=O)C1=CC2=CC=CC(OC)=C2OC1)C1=NN=N[N-]1	REAL000000002385	0	42	-1.0	-49.92	349.50	4.02	-45.89
CCCC(NC(=O)C1=CC2=CC=CC(OC)=C2OC1)C1=N[N-]N=N1	REAL000000002385	1	42	-1.0	-49.92	349.44	4.03	-45.90
CCCC(NC(=O)C1=CC2=CC=CC(OC)=C2OC1)C1=NNN=N1	REAL000000002385	1	43	0.0	-10.99	345.68	3.71	-7.28
CCCC(NC(=O)C1=CC=CC(CN2N=C(C)C=C2C)=C1)C1=NN=N[N-]1	REAL000000002386	0	48	-1.0	-47.87	395.93	6.23	-41.64
CCCC(NC(=O)C1=CC=CC(CN2N=C(C)C=C2C)=C1)C1=N[N-]N=N1	REAL000000002386	1	48	-1.0	-47.86	395.87	6.23	-41.63
CCCC(NC(=O)C1=CC=CC(CN2N=C(C)C=C2C)=C1)C1=NNN=N1	REAL000000002386	1	49	0.0	-13.85	399.35	6.24	-7.61
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)S1)C1=NN=N[N-]1	REAL000000002387	0	34	-1.0	-49.33	322.65	-2.35	-51.68
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)S1)C1=N[N-]N=N1	REAL000000002387	1	34	-1.0	-49.33	322.59	-2.35	-51.68
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)S1)C1=NNN=N1	REAL000000002387	1	35	0.0	-15.55	325.97	-2.34	-17.90
CCCC(NC(=O)CN1C=CC2=CC([N+](=O)[O-])=CC=C21)C1=NN=N[N-]1	REAL000000002388	0	41	-1.0	-48.78	360.24	6.45	-42.33
CCCC(NC(=O)CN1C=CC2=CC([N+](=O)[O-])=CC=C21)C1=N[N-]N=N1	REAL000000002388	1	41	-1.0	-48.77	360.18	6.44	-42.33
CCCC(NC(=O)CN1C=CC2=CC([N+](=O)[O-])=CC=C21)C1=NNN=N1	REAL000000002388	1	42	0.0	-16.35	356.43	6.12	-10.23
CCCC(NC(=O)CCC1=C(C)N=C(C2=CC=CN=C2)NC1=O)C1=NN=N[N-]1	REAL000000002389	0	49	-1.0	-57.32	409.42	3.77	-53.55
CCCC(NC(=O)CCC1=C(C)N=C(C2=CC=CN=C2)NC1=O)C1=N[N-]N=N1	REAL000000002389	1	49	-1.0	-57.31	409.36	3.77	-53.54
CCCC(NC(=O)C1=C(C)SC(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000002390	0	37	-1.0	-48.04	340.08	-1.61	-49.66
CCCC(NC(=O)C1=C(C)SC(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000002390	1	37	-1.0	-48.04	340.02	-1.62	-49.67
CCCC(NC(=O)C1=C(C)SC(S(N)(=O)=O)=C1)C1=NNN=N1	REAL000000002390	1	38	0.0	-12.56	336.27	-1.94	-14.50
CCCC(NC(=O)C(C)N1C(=S)N=NC1C1=CC=CS1)C1=NN=N[N-]1	REAL000000002391	0	42	-1.0	-49.44	371.99	3.19	-46.25
CCCC(NC(=O)C(C)N1C(=S)N=NC1C1=CC=CS1)C1=N[N-]N=N1	REAL000000002391	1	42	-1.0	-49.44	371.93	3.19	-46.25
CCCC(NC(=O)C(C)N1C(=S)N=NC1C1=CC=CS1)C1=NNN=N1	REAL000000002391	1	43	0.0	-16.41	375.50	3.24	-13.17
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)NC2CC2)=C1)C1=NN=N[N-]1	REAL000000002392	0	44	-1.0	-50.41	388.83	1.57	-48.84
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)NC2CC2)=C1)C1=N[N-]N=N1	REAL000000002392	1	44	-1.0	-50.40	388.78	1.56	-48.84
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)NC2CC2)=C1)C1=NNN=N1	REAL000000002392	1	45	0.0	-18.51	392.19	1.57	-16.93
CCCC(NC(=O)C1=CC2=C(Br)C=CC=C2N1)C1=NN=N[N-]1	REAL000000002393	0	36	-1.0	-47.11	329.10	4.18	-42.94
CCCC(NC(=O)C1=CC2=C(Br)C=CC=C2N1)C1=N[N-]N=N1	REAL000000002393	1	36	-1.0	-47.11	329.05	4.17	-42.94
CCCC(NC(=O)C1=CC2=C(Br)C=CC=C2N1)C1=NNN=N1	REAL000000002393	1	37	0.0	-12.89	332.48	4.18	-8.71
CCCC(NC(=O)CC1=CNC2=CC(F)=CC=C12)C1=NN=N[N-]1	REAL000000002394	0	39	-1.0	-47.08	337.30	4.45	-42.63
CCCC(NC(=O)CC1=CNC2=CC(F)=CC=C12)C1=N[N-]N=N1	REAL000000002394	1	39	-1.0	-47.07	337.25	4.44	-42.63
CCCC(NC(=O)CC1=CNC2=CC(F)=CC=C12)C1=NNN=N1	REAL000000002394	1	40	0.0	-14.12	340.68	4.46	-9.66
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C1=NN=N[N-]1	REAL000000002395	0	38	-1.0	-44.83	329.81	4.41	-40.42
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C1=N[N-]N=N1	REAL000000002395	1	38	-1.0	-44.82	329.75	4.41	-40.41
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C1=NNN=N1	REAL000000002395	1	39	0.0	-15.12	333.18	4.42	-10.70
CCCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL000000002396	0	51	0.0	-67.44	395.63	7.30	-60.14
CCCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL000000002396	1	51	0.0	-67.44	395.58	7.30	-60.14
CCCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000002396	1	52	1.0	-44.63	391.83	6.99	-37.65
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC=C2)N1)C1=NN=N[N-]1	REAL000000002397	0	42	-1.0	-46.52	354.13	4.71	-41.81
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC=C2)N1)C1=N[N-]N=N1	REAL000000002397	1	42	-1.0	-46.52	354.08	4.70	-41.82
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC=C2)N1)C1=NNN=N1	REAL000000002397	1	43	0.0	-12.92	357.51	4.72	-8.20
CCCC(NC(=O)C(C)OC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL000000002398	0	39	-1.0	-46.56	338.04	4.93	-41.63
CCCC(NC(=O)C(C)OC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL000000002398	1	39	-1.0	-46.56	337.99	4.93	-41.62
CCCC(NC(=O)C(C)OC1=CC=C(F)C(F)=C1)C1=NNN=N1	REAL000000002398	1	40	0.0	-13.26	341.41	4.94	-8.32
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C2COCC2=C1)C1=NN=N[N-]1	REAL000000002399	0	45	-1.0	-51.77	389.04	-0.66	-52.43
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C2COCC2=C1)C1=N[N-]N=N1	REAL000000002399	1	45	-1.0	-51.75	388.99	-0.66	-52.41
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C2COCC2=C1)C1=NNN=N1	REAL000000002399	1	46	0.0	-17.72	392.42	-0.65	-18.36
CCCC(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C1=NN=N[N-]1	REAL000000002400	0	53	0.0	-70.08	392.06	6.73	-63.35
CCCC(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C1=NN=N[N-]1	REAL000000002400	1	53	0.0	-73.01	392.59	6.92	-66.09
CCCC(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C1=N[N-]N=N1	REAL000000002400	1	53	0.0	-70.08	392.00	6.73	-63.35
CCCC(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C1=N[N-]N=N1	REAL000000002400	1	53	0.0	-73.00	392.53	6.91	-66.10
CCCC(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C1=NNN=N1	REAL000000002400	1	54	1.0	-41.42	389.04	6.59	-34.83
CCCC(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C1=NNN=N1	REAL000000002400	1	54	1.0	-40.13	397.45	6.82	-33.30
CCCC(NC(=O)C1=CN(C2=CC=C(C(F)(F)F)C=N2)N=N1)C1=NN=N[N-]1	REAL000000002401	0	40	-1.0	-44.80	367.54	3.61	-41.19
CCCC(NC(=O)C1=CN(C2=CC=C(C(F)(F)F)C=N2)N=N1)C1=N[N-]N=N1	REAL000000002401	1	40	-1.0	-44.79	367.48	3.60	-41.20
CCCC(NC(=O)C1=CN(C2=CC=C(C(F)(F)F)C=N2)N=N1)C1=NNN=N1	REAL000000002401	1	41	0.0	-8.79	363.74	3.28	-5.51
CCCC(NC(=O)C1=CC(C)=CC=C1I)C1=NN=N[N-]1	REAL000000002402	0	35	-1.0	-45.66	317.50	5.40	-40.26
CCCC(NC(=O)C1=CC(C)=CC=C1I)C1=N[N-]N=N1	REAL000000002402	1	35	-1.0	-45.66	317.44	5.39	-40.27
CCCC(NC(=O)C1=CC(C)=CC=C1I)C1=NNN=N1	REAL000000002402	1	36	0.0	-10.21	320.87	5.41	-4.79
CCCNC(=O)NC1=CC=C(CC(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000002403	0	50	-1.0	-54.67	413.19	3.45	-51.22
CCCNC(=O)NC1=CC=C(CC(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000002403	1	50	-1.0	-54.67	413.13	3.45	-51.22
CCCNC(=O)NC1=CC=C(CC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000002403	1	51	0.0	-17.45	416.57	3.46	-13.99
CCCC(NC(=O)CS(=O)(=O)NC1CCC(C)CC1)C1=NN=N[N-]1	REAL000000002404	0	49	-1.0	-55.59	391.40	0.94	-54.65
CCCC(NC(=O)CS(=O)(=O)NC1CCC(C)CC1)C1=N[N-]N=N1	REAL000000002404	1	49	-1.0	-55.58	391.35	0.94	-54.64
CCCC(NC(=O)CS(=O)(=O)NC1CCC(C)CC1)C1=NNN=N1	REAL000000002404	1	50	0.0	-20.98	394.79	0.95	-20.03
CCCC(NC(=O)C1=CC=C(OCCCOC)N=C1)C1=NN=N[N-]1	REAL000000002405	0	45	-1.0	-44.95	378.49	1.18	-43.77
CCCC(NC(=O)C1=CC=C(OCCCOC)N=C1)C1=N[N-]N=N1	REAL000000002405	1	45	-1.0	-44.95	378.43	1.17	-43.78
CCCC(NC(=O)C1=CC=C(OCCCOC)N=C1)C1=NNN=N1	REAL000000002405	1	46	0.0	-8.86	374.69	0.86	-8.00
CCCC(NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1)C1=NN=N[N-]1	REAL000000002406	0	58	-1.0	-49.35	443.56	5.69	-43.65
CCCC(NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1)C1=N[N-]N=N1	REAL000000002406	1	58	-1.0	-49.35	443.52	5.68	-43.66
CCCC(NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1)C1=NNN=N1	REAL000000002406	1	59	0.0	-17.02	446.94	5.70	-11.32
CCCC(NC(=O)C1=CC(C)=C(C2=CC=C(F)C=C2)S1)C1=NN=N[N-]1	REAL000000002407	0	42	-1.0	-45.45	372.02	7.05	-38.40
CCCC(NC(=O)C1=CC(C)=C(C2=CC=C(F)C=C2)S1)C1=N[N-]N=N1	REAL000000002407	1	42	-1.0	-45.45	371.96	7.04	-38.40
CCCC(NC(=O)C1=CC(C)=C(C2=CC=C(F)C=C2)S1)C1=NNN=N1	REAL000000002407	1	43	0.0	-7.78	368.20	6.73	-1.05
CCCC(NC(=O)CC1=CSC(C2=CC=C3OCOC3=C2)=N1)C1=NN=N[N-]1	REAL000000002408	0	44	-1.0	-54.34	388.69	3.96	-50.38
CCCC(NC(=O)CC1=CSC(C2=CC=C3OCOC3=C2)=N1)C1=N[N-]N=N1	REAL000000002408	1	44	-1.0	-54.34	388.63	3.95	-50.39
CCCC(NC(=O)CC1=CSC(C2=CC=C3OCOC3=C2)=N1)C1=NNN=N1	REAL000000002408	1	45	0.0	-16.74	392.07	3.97	-12.77
CCCC(NC(=O)C1=CC=C(C2=CC=CO2)N=C1C)C1=NN=N[N-]1	REAL000000002409	0	41	-1.0	-46.79	347.21	4.28	-42.50
CCCC(NC(=O)C1=CC=C(C2=CC=CO2)N=C1C)C1=N[N-]N=N1	REAL000000002409	1	41	-1.0	-46.78	347.15	4.27	-42.51
CCCC(NC(=O)C1=CC=C(C2=CC=CO2)N=C1C)C1=NNN=N1	REAL000000002409	1	42	0.0	-12.78	350.60	4.29	-8.48
CCCC(NC(=O)C1=CC=C(C2=CSC=C2)N=C1C)C1=NN=N[N-]1	REAL000000002410	0	41	-1.0	-46.53	353.14	5.07	-41.47
CCCC(NC(=O)C1=CC=C(C2=CSC=C2)N=C1C)C1=N[N-]N=N1	REAL000000002410	1	41	-1.0	-46.53	353.08	5.07	-41.46
CCCC(NC(=O)C1=CC=C(C2=CSC=C2)N=C1C)C1=NNN=N1	REAL000000002410	1	42	0.0	-9.46	349.34	4.74	-4.72
CCCC(NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)C1=NN=N[N-]1	REAL000000002411	0	61	-1.0	-49.18	460.22	6.33	-42.85
CCCC(NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)C1=N[N-]N=N1	REAL000000002411	1	61	-1.0	-49.18	460.17	6.33	-42.85
CCCC(NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)C1=NNN=N1	REAL000000002411	1	62	0.0	-16.79	463.59	6.33	-10.45
CCCC(NC(=O)C1=CSC(CC2=CC=C(F)C=C2)=N1)C1=NN=N[N-]1	REAL000000002412	0	41	-1.0	-48.18	371.35	5.19	-42.99
CCCC(NC(=O)C1=CSC(CC2=CC=C(F)C=C2)=N1)C1=N[N-]N=N1	REAL000000002412	1	41	-1.0	-48.19	371.29	5.18	-43.00
CCCC(NC(=O)C1=CSC(CC2=CC=C(F)C=C2)=N1)C1=NNN=N1	REAL000000002412	1	42	0.0	-12.26	374.73	5.20	-7.06
CCCOC1=CC=C(C2=NC(C(=O)NC(CCC)C3=NN=N[N-]3)=CS2)C=C1	REAL000000002413	0	48	-1.0	-46.86	414.40	5.50	-41.36
CCCOC1=CC=C(C2=NC(C(=O)NC(CCC)C3=N[N-]N=N3)=CS2)C=C1	REAL000000002413	1	48	-1.0	-46.86	414.34	5.50	-41.36
CCCOC1=CC=C(C2=NC(C(=O)NC(CCC)C3=NNN=N3)=CS2)C=C1	REAL000000002413	1	49	0.0	-8.49	410.59	5.19	-3.30
CCCC(NC(=O)CCC1=NN=C(C2=CC3=CC=CC=C3O2)O1)C1=NN=N[N-]1	REAL000000002414	0	46	-1.0	-48.81	400.30	1.49	-47.32
CCCC(NC(=O)CCC1=NN=C(C2=CC3=CC=CC=C3O2)O1)C1=N[N-]N=N1	REAL000000002414	1	46	-1.0	-48.80	400.24	1.49	-47.31
CCCC(NC(=O)CCC1=NN=C(C2=CC3=CC=CC=C3O2)O1)C1=NNN=N1	REAL000000002414	1	47	0.0	-12.84	396.49	1.18	-11.66
CCCC(NC(=O)CC1=CNC2=CC(C)=CC=C12)C1=NN=N[N-]1	REAL000000002415	0	42	-1.0	-48.65	352.26	5.05	-43.59
CCCC(NC(=O)CC1=CNC2=CC(C)=CC=C12)C1=N[N-]N=N1	REAL000000002415	1	42	-1.0	-48.64	352.21	5.05	-43.59
CCCC(NC(=O)CC1=CNC2=CC(C)=CC=C12)C1=NNN=N1	REAL000000002415	1	43	0.0	-14.02	355.64	5.06	-8.96
CCCC(NC(=O)C1CCN(CC2=CSC(C)=N2)CC1)C1=NN=N[N-]1	REAL000000002416	0	49	-1.0	-51.40	400.68	2.82	-48.58
CCCC(NC(=O)C1CCN(CC2=CSC(C)=N2)CC1)C1=N[N-]N=N1	REAL000000002416	1	49	-1.0	-51.40	400.63	2.82	-48.58
CCCC(NC(=O)CCN1C=CNC(=O)C1=O)C1=NN=N[N-]1	REAL000000002417	0	38	-1.0	-62.73	329.84	1.36	-61.37
CCCC(NC(=O)C1CCCN(C(=O)C(C)CC)C1)C1=NN=N[N-]1	REAL000000002418	0	51	-1.0	-51.69	393.07	4.64	-47.06
CCCC(NC(=O)C1CCCN(C(=O)C(C)CC)C1)C1=N[N-]N=N1	REAL000000002418	1	51	-1.0	-51.70	393.01	4.63	-47.07
CCCC(NC(=O)C1CCCN(C(=O)C(C)CC)C1)C1=NNN=N1	REAL000000002418	1	52	0.0	-16.32	395.91	4.62	-11.70
CCCC(NC(=O)C1=CC=C(F)C(NS(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000002419	0	40	-1.0	-55.11	353.27	0.45	-54.67
CCCC(NC(=O)C1=CC=C(F)C(NS(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000002419	1	40	-1.0	-55.11	353.22	0.45	-54.66
CCCC(NC(=O)C1=CC=C(F)C(NS(C)(=O)=O)=C1)C1=NNN=N1	REAL000000002419	1	41	0.0	-20.07	356.67	0.47	-19.61
CCCC(NC(=O)C1=CSC(C2=CC=CC(C(F)(F)F)=C2)=N1)C1=NN=N[N-]1	REAL000000002420	0	41	-1.0	-45.66	380.65	5.46	-40.20
CCCC(NC(=O)C1=CSC(C2=CC=CC(C(F)(F)F)=C2)=N1)C1=N[N-]N=N1	REAL000000002420	1	41	-1.0	-45.67	380.59	5.46	-40.21
CCCC(NC(=O)C1=CSC(C2=CC=CC(C(F)(F)F)=C2)=N1)C1=NNN=N1	REAL000000002420	1	42	0.0	-10.40	384.03	5.47	-4.93
CCCC(NC(=O)CCNC(=O)C1CCCCC1)C1=NN=N[N-]1	REAL000000002421	0	48	-1.0	-53.84	381.25	3.05	-50.80
CCCC(NC(=O)CCNC(=O)C1CCCCC1)C1=N[N-]N=N1	REAL000000002421	1	48	-1.0	-53.84	381.19	3.04	-50.81
CCCC(NC(=O)CCNC(=O)C1CCCCC1)C1=NNN=N1	REAL000000002421	1	49	0.0	-18.81	384.62	3.06	-15.76
CCCC(NC(=O)C1=CC=C(CS(C)(=O)=O)O1)C1=NN=N[N-]1	REAL000000002422	0	38	-1.0	-61.23	344.12	0.02	-61.20
CCCC(NC(=O)C1=CC=C(CS(C)(=O)=O)O1)C1=N[N-]N=N1	REAL000000002422	1	38	-1.0	-61.23	344.06	0.02	-61.22
CCCC(NC(=O)C1=CC=C(CS(C)(=O)=O)O1)C1=NNN=N1	REAL000000002422	1	39	0.0	-22.91	347.49	0.03	-22.88
CCCC(NC(=O)C1CCC(NC(=O)C2CCCC2)CC1)C1=NN=N[N-]1	REAL000000002423	0	55	-1.0	-49.28	423.40	4.96	-44.32
CCCC(NC(=O)C1CCC(NC(=O)C2CCCC2)CC1)C1=N[N-]N=N1	REAL000000002423	1	55	-1.0	-49.27	423.35	4.96	-44.31
CCCC(NC(=O)C1CCC(NC(=O)C2CCCC2)CC1)C1=NNN=N1	REAL000000002423	1	56	0.0	-15.32	426.79	4.97	-10.35
CCCC(NC(=O)C1CCCN(C(=O)C2=CC3=CNN=C3C=C2)C1)C1=NN=N[N-]1	REAL000000002424	0	52	-1.0	-55.26	418.38	4.16	-51.10
CCCC(NC(=O)C1CCCN(C(=O)C2=CC3=CNN=C3C=C2)C1)C1=N[N-]N=N1	REAL000000002424	1	52	-1.0	-55.25	418.32	4.15	-51.10
CCCC(NC(=O)C1CCCN(C(=O)C2=CC3=CNN=C3C=C2)C1)C1=NNN=N1	REAL000000002424	1	53	0.0	-19.54	421.76	4.17	-15.37
CCCC(NC(=O)C1=C([N+](=O)[O-])C(CC)=NN1)C1=NN=N[N-]1	REAL000000002425	0	37	-1.0	-48.01	329.47	2.29	-45.72
CCCC(NC(=O)C1=C([N+](=O)[O-])C(CC)=NN1)C1=N[N-]N=N1	REAL000000002425	1	37	-1.0	-48.01	329.41	2.29	-45.72
CCCC(NC(=O)C1=C([N+](=O)[O-])C(CC)=NN1)C1=NNN=N1	REAL000000002425	1	38	0.0	-15.52	332.85	2.31	-13.22
CCCC(NC(=O)C1=CC=C(N2C=NN=C2)C=C1)C1=NN=N[N-]1	REAL000000002426	0	38	-1.0	-50.68	325.12	6.63	-44.04
CCCC(NC(=O)C1=CC=C(N2C=NN=C2)C=C1)C1=N[N-]N=N1	REAL000000002426	1	38	-1.0	-50.67	325.06	6.62	-44.05
CCCC(NC(=O)C1=CC=C(N2C=NN=C2)C=C1)C1=NNN=N1	REAL000000002426	1	39	0.0	-14.78	321.32	6.31	-8.47
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1C)C1=NN=N[N-]1	REAL000000002427	0	37	-1.0	-42.72	318.59	5.01	-37.71
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1C)C1=N[N-]N=N1	REAL000000002427	1	37	-1.0	-42.71	318.53	5.00	-37.71
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1C)C1=NNN=N1	REAL000000002427	1	38	0.0	-11.63	321.96	5.02	-6.61
CCCC(NC(=O)CCOC1=CC=C(S(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL000000002428	0	44	-1.0	-50.96	383.01	-1.07	-52.04
CCCC(NC(=O)CCOC1=CC=C(S(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL000000002428	1	44	-1.0	-50.97	382.95	-1.07	-52.04
CCCC(NC(=O)CCOC1=CC=C(S(N)(=O)=O)C=C1)C1=NNN=N1	REAL000000002428	1	45	0.0	-14.96	379.27	-1.39	-16.35
CCCC(NC(=O)C(C)C1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL000000002429	0	38	-1.0	-45.48	336.42	5.53	-39.95
CCCC(NC(=O)C(C)C1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL000000002429	1	38	-1.0	-45.48	336.36	5.53	-39.95
CCCC(NC(=O)C(C)C1=C(Cl)C=CC=C1Cl)C1=NNN=N1	REAL000000002429	1	39	0.0	-9.96	339.73	5.55	-4.41
CCCC(NC(=O)CNS(=O)(=O)C1=CN(C)C(C)=N1)C1=NN=N[N-]1	REAL000000002430	0	43	-1.0	-58.74	376.61	-1.06	-59.81
CCCC(NC(=O)CNS(=O)(=O)C1=CN(C)C(C)=N1)C1=N[N-]N=N1	REAL000000002430	1	43	-1.0	-58.74	376.55	-1.07	-59.82
CCCC(NC(=O)CNS(=O)(=O)C1=CN(C)C(C)=N1)C1=NNN=N1	REAL000000002430	1	44	0.0	-19.81	379.98	-1.06	-20.86
CCCC(NC(=O)CCNS(=O)(=O)C1=CN(C)C(C)=N1)C1=NN=N[N-]1	REAL000000002431	0	46	-1.0	-58.08	398.66	-0.44	-58.52
CCCC(NC(=O)CCNS(=O)(=O)C1=CN(C)C(C)=N1)C1=N[N-]N=N1	REAL000000002431	1	46	-1.0	-58.07	398.61	-0.44	-58.51
CCCC(NC(=O)CCNS(=O)(=O)C1=CN(C)C(C)=N1)C1=NNN=N1	REAL000000002431	1	47	0.0	-25.34	402.04	-0.43	-25.77
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)N2C1CCCC1)C1=NN=N[N-]1	REAL000000002432	0	49	-1.0	-49.89	392.32	5.08	-44.81
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)N2C1CCCC1)C1=N[N-]N=N1	REAL000000002432	1	49	-1.0	-49.89	392.26	5.08	-44.81
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)N2C1CCCC1)C1=NNN=N1	REAL000000002432	1	50	0.0	-17.26	395.70	5.09	-12.17
CCCC(NC(=O)CCCC(=O)N(CC)CC)C1=NN=N[N-]1	REAL000000002433	0	47	-1.0	-56.95	379.63	4.33	-52.61
CCCC(NC(=O)CCCC(=O)N(CC)CC)C1=N[N-]N=N1	REAL000000002433	1	47	-1.0	-56.94	379.57	4.34	-52.61
CCCC(NC(=O)CCCC(=O)N(CC)CC)C1=NNN=N1	REAL000000002433	1	48	0.0	-20.29	383.01	4.34	-15.95
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CCOC)C=C1)C1=NN=N[N-]1	REAL000000002434	0	45	-1.0	-50.58	390.14	1.15	-49.43
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CCOC)C=C1)C1=N[N-]N=N1	REAL000000002434	1	45	-1.0	-50.58	390.08	1.14	-49.44
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CCOC)C=C1)C1=NNN=N1	REAL000000002434	1	46	0.0	-14.35	386.32	0.83	-13.52
CCCC(NC(=O)CNC(=O)CC1CCCC1)C1=NN=N[N-]1	REAL000000002435	0	45	-1.0	-43.43	361.14	2.48	-40.95
CCCC(NC(=O)CNC(=O)CC1CCCC1)C1=N[N-]N=N1	REAL000000002435	1	45	-1.0	-43.42	361.08	2.47	-40.95
CCCC(NC(=O)CNC(=O)CC1CCCC1)C1=NNN=N1	REAL000000002435	1	46	0.0	-11.06	364.51	2.48	-8.58
CCCC(NC(=O)C1CCN(C(=O)OCC(C)C)CC1)C1=NN=N[N-]1	REAL000000002436	0	52	-1.0	-51.34	411.45	4.98	-46.36
CCCC(NC(=O)C1CCN(C(=O)OCC(C)C)CC1)C1=N[N-]N=N1	REAL000000002436	1	52	-1.0	-51.34	411.39	4.97	-46.37
CCCC(NC(=O)C1CCN(C(=O)OCC(C)C)CC1)C1=NNN=N1	REAL000000002436	1	53	0.0	-15.60	414.81	4.98	-10.62
CCCC(NC(=O)CCN(CC1=CC=CC=C1)C(C)=O)C1=NN=N[N-]1	REAL000000002437	0	48	-1.0	-45.83	395.07	5.67	-40.16
CCCC(NC(=O)CCN(CC1=CC=CC=C1)C(C)=O)C1=N[N-]N=N1	REAL000000002437	1	48	-1.0	-45.82	395.01	5.67	-40.15
CCCC(NC(=O)CCN(CC1=CC=CC=C1)C(C)=O)C1=NNN=N1	REAL000000002437	1	49	0.0	-12.68	391.28	5.35	-7.33
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C(C)=O)C1)C1=NN=N[N-]1	REAL000000002438	0	46	-1.0	-51.24	387.46	4.79	-46.45
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C(C)=O)C1)C1=N[N-]N=N1	REAL000000002438	1	46	-1.0	-51.24	387.40	4.79	-46.45
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C(C)=O)C1)C1=NNN=N1	REAL000000002438	1	47	0.0	-13.71	383.74	4.49	-9.22
CCCC(NC(=O)C1=CN(C2=CC=CC(C)=C2)N=N1)C1=NN=N[N-]1	REAL000000002439	0	41	-1.0	-46.39	353.11	4.00	-42.39
CCCC(NC(=O)C1=CN(C2=CC=CC(C)=C2)N=N1)C1=N[N-]N=N1	REAL000000002439	1	41	-1.0	-46.39	353.05	4.00	-42.38
CCCC(NC(=O)C1=CN(C2=CC=CC(C)=C2)N=N1)C1=NNN=N1	REAL000000002439	1	42	0.0	-11.60	356.48	4.01	-7.59
CCCC(NC(=O)C1=CC(F)=CC=C1I)C1=NN=N[N-]1	REAL000000002440	0	32	-1.0	-42.86	302.50	4.80	-38.06
CCCC(NC(=O)C1=CC(F)=CC=C1I)C1=N[N-]N=N1	REAL000000002440	1	32	-1.0	-42.86	302.44	4.79	-38.07
CCCC(NC(=O)C1=CC(F)=CC=C1I)C1=NNN=N1	REAL000000002440	1	33	0.0	-6.35	298.70	4.47	-1.87
CCCC(NC(=O)C1=CSC(C2=C(F)C=CC=C2F)=N1)C1=NN=N[N-]1	REAL000000002441	0	38	-1.0	-50.82	349.77	4.69	-46.14
CCCC(NC(=O)C1=CSC(C2=C(F)C=CC=C2F)=N1)C1=N[N-]N=N1	REAL000000002441	1	38	-1.0	-50.82	349.72	4.68	-46.14
CCCC(NC(=O)C1=CSC(C2=C(F)C=CC=C2F)=N1)C1=NNN=N1	REAL000000002441	1	39	0.0	-12.59	353.15	4.70	-7.90
CCCC(NC(=O)CC1=C(C)N=C(C2=NC=CC=N2)[N-]C1=O)C1=NN=N[N-]1	REAL000000002442	0	44	-2.0	-127.66	382.99	0.95	-126.71
CCCC(NC(=O)C1=C2C=NN(C(C)CC)C2=NC(C)=C1)C1=NN=N[N-]1	REAL000000002443	0	49	-1.0	-48.06	398.86	5.56	-42.51
CCCC(NC(=O)C1=C2C=NN(C(C)CC)C2=NC(C)=C1)C1=N[N-]N=N1	REAL000000002443	1	49	-1.0	-48.06	398.80	5.55	-42.51
CCCC(NC(=O)C1=C2C=NN(C(C)CC)C2=NC(C)=C1)C1=NNN=N1	REAL000000002443	1	50	0.0	-14.53	402.23	5.56	-8.96
CCCC(NC(=O)CC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL000000002444	0	35	-1.0	-44.79	320.27	4.94	-39.85
CCCC(NC(=O)CC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL000000002444	1	35	-1.0	-44.79	320.21	4.93	-39.86
CCCC(NC(=O)CC1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000002444	1	36	0.0	-12.08	323.65	4.95	-7.14
CCCC(NC(=O)CC1=C(C)OC(C2=CC=CO2)=N1)C1=NN=N[N-]1	REAL000000002445	0	41	-1.0	-58.67	358.31	1.45	-57.22
CCCC(NC(=O)CC1=C(C)OC(C2=CC=CO2)=N1)C1=N[N-]N=N1	REAL000000002445	1	41	-1.0	-58.67	358.25	1.44	-57.23
CCCC(NC(=O)CC1=C(C)OC(C2=CC=CO2)=N1)C1=NNN=N1	REAL000000002445	1	42	0.0	-18.62	361.13	1.43	-17.19
CCCC(NC(=O)CCC1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL000000002446	0	38	-1.0	-44.88	352.30	6.10	-38.77
CCCC(NC(=O)CCC1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL000000002446	1	38	-1.0	-44.87	352.24	6.09	-38.78
CCCC(NC(=O)CCC1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000002446	1	39	0.0	-11.09	355.67	6.11	-4.98
CCCC(NC(=O)C1=CC=C(OCC2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL000000002447	0	45	-1.0	-45.17	383.23	4.35	-40.82
CCCC(NC(=O)C1=CC=C(OCC2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL000000002447	1	45	-1.0	-45.17	383.17	4.35	-40.82
CCCC(NC(=O)C1=CC=C(OCC2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000002447	1	46	0.0	-11.58	386.60	4.36	-7.23
CCCC(NC(=O)C1=CN=C(C2=NC=CC=N2)S1)C1=NN=N[N-]1	REAL000000002448	0	36	-1.0	-50.48	332.99	1.92	-48.56
CCCC(NC(=O)C1=CN=C(C2=NC=CC=N2)S1)C1=N[N-]N=N1	REAL000000002448	1	36	-1.0	-50.48	332.93	1.91	-48.57
CCCC(NC(=O)C1=CN=C(C2=NC=CC=N2)S1)C1=NNN=N1	REAL000000002448	1	37	0.0	-16.05	336.37	1.93	-14.12
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C(C)C)C(C)=N1)C1=NN=N[N-]1	REAL000000002449	0	50	-1.0	-55.48	408.50	7.39	-48.09
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C(C)C)C(C)=N1)C1=N[N-]N=N1	REAL000000002449	1	50	-1.0	-55.49	408.44	7.38	-48.10
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C(C)C)C(C)=N1)C1=NNN=N1	REAL000000002449	1	51	0.0	-15.79	412.48	7.43	-8.36
CCCC(NC(=O)C1=CC(Br)=CN1CC)C1=NN=N[N-]1	REAL000000002450	0	36	-1.0	-44.38	322.82	4.58	-39.80
CCCC(NC(=O)C1=CC(Br)=CN1CC)C1=N[N-]N=N1	REAL000000002450	1	36	-1.0	-44.38	322.77	4.58	-39.79
CCCC(NC(=O)C1=CC(Br)=CN1CC)C1=NNN=N1	REAL000000002450	1	37	0.0	-9.31	326.18	4.59	-4.72
CCCC(NC(=O)C=CC1=CC=C(OC2=CC=CN=C2)C(F)=C1)C1=NN=N[N-]1	REAL000000002451	0	46	-1.0	-49.23	399.54	6.03	-43.20
CCCC(NC(=O)C=CC1=CC=C(OC2=CC=CN=C2)C(F)=C1)C1=N[N-]N=N1	REAL000000002451	1	46	-1.0	-49.22	399.48	6.02	-43.20
CCCC(NC(=O)C=CC1=CC=C(OC2=CC=CN=C2)C(F)=C1)C1=NNN=N1	REAL000000002451	1	47	0.0	-12.55	396.18	5.70	-6.85
CCCC(NC(=O)CNC(=O)CCC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000002452	0	48	-1.0	-44.21	400.75	4.29	-39.92
CCCC(NC(=O)CNC(=O)CCC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000002452	1	48	-1.0	-44.20	400.70	4.28	-39.92
CCCC(NC(=O)CNC(=O)CCC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000002452	1	49	0.0	-11.96	404.13	4.30	-7.66
CCCC(NC(=O)C(C)N1C(=O)NC2(CCCC2)C1=O)C1=NN=N[N-]1	REAL000000002453	0	47	-1.0	-54.74	378.36	2.52	-52.22
CCCC(NC(=O)C(C)N1C(=O)NC2(CCCC2)C1=O)C1=N[N-]N=N1	REAL000000002453	1	47	-1.0	-54.74	378.30	2.51	-52.23
CCCC(NC(=O)C(C)N1C(=O)NC2(CCCC2)C1=O)C1=NNN=N1	REAL000000002453	1	48	0.0	-16.05	381.74	2.53	-13.52
CCCC(NC(=O)C1=CC=NC(OC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000002454	0	42	-1.0	-48.96	361.18	4.00	-44.96
CCCC(NC(=O)C1=CC=NC(OC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000002454	1	42	-1.0	-48.96	361.12	4.00	-44.96
CCCC(NC(=O)C1=CC=NC(OC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000002454	1	43	0.0	-11.23	357.36	3.69	-7.54
CCCC(NC(=O)C1=CSC(C2=CC=C(OC(C)C)C=C2)=N1)C1=NN=N[N-]1	REAL000000002455	0	48	-1.0	-47.79	410.82	5.33	-42.46
CCCC(NC(=O)C1=CSC(C2=CC=C(OC(C)C)C=C2)=N1)C1=N[N-]N=N1	REAL000000002455	1	48	-1.0	-47.79	410.76	5.32	-42.47
CCCC(NC(=O)C1=CSC(C2=CC=C(OC(C)C)C=C2)=N1)C1=NNN=N1	REAL000000002455	1	49	0.0	-10.61	414.18	5.34	-5.28
CCCC(NC(=O)CC1=C(C)OC(C2=CSC=C2)=N1)C1=NN=N[N-]1	REAL000000002456	0	41	-1.0	-50.29	365.54	2.30	-47.99
CCCC(NC(=O)CC1=C(C)OC(C2=CSC=C2)=N1)C1=N[N-]N=N1	REAL000000002456	1	41	-1.0	-50.30	365.49	2.30	-47.99
CCCC(NC(=O)CC1=C(C)OC(C2=CSC=C2)=N1)C1=NNN=N1	REAL000000002456	1	42	0.0	-14.14	361.74	1.98	-12.16
CCCC(NC(=O)CCC1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL000000002457	0	38	-1.0	-45.70	332.13	5.22	-40.48
CCCC(NC(=O)CCC1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL000000002457	1	38	-1.0	-45.71	332.07	5.23	-40.48
CCCC(NC(=O)CCC1=CC=CC(F)=C1F)C1=NNN=N1	REAL000000002457	1	39	0.0	-14.10	335.50	5.23	-8.86
CCCC(NC(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C1=NN=N[N-]1	REAL000000002458	0	43	-1.0	-47.40	379.72	7.02	-40.39
CCCC(NC(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C1=N[N-]N=N1	REAL000000002458	1	43	-1.0	-47.40	379.66	7.01	-40.39
CCCC(NC(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C1=NNN=N1	REAL000000002458	1	44	0.0	-12.06	383.09	7.02	-5.04
CCCC(NC(=O)CCN1N=C(C)C([N+](=O)[O-])=C1C)C1=NN=N[N-]1	REAL000000002459	0	43	-1.0	-43.06	373.83	4.13	-38.93
CCCC(NC(=O)CCN1N=C(C)C([N+](=O)[O-])=C1C)C1=N[N-]N=N1	REAL000000002459	1	43	-1.0	-43.05	373.77	4.12	-38.93
CCCC(NC(=O)CCN1N=C(C)C([N+](=O)[O-])=C1C)C1=NNN=N1	REAL000000002459	1	44	0.0	-14.14	377.20	4.14	-10.00
CCCC(NC(=O)C1=CC=CC(N2N=CC=C2C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000002460	0	42	-1.0	-51.74	366.13	5.43	-46.31
CCCC(NC(=O)C1=CC=CC(N2N=CC=C2C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000002460	1	42	-1.0	-51.75	366.07	5.43	-46.31
CCCC(NC(=O)C1=CC=CC(N2N=CC=C2C(F)(F)F)=C1)C1=NNN=N1	REAL000000002460	1	43	0.0	-12.36	362.31	5.12	-7.24
CCCC(NC(=O)CCCCC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000002461	0	56	-1.0	-45.64	439.57	9.02	-36.62
CCCC(NC(=O)CCCCC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000002461	1	56	-1.0	-45.64	439.52	9.02	-36.62
CCCC(NC(=O)CCCCC1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000002461	1	57	0.0	-10.54	442.95	9.03	-1.51
CCCCCCCCCC=CC(=O)NC(CCC)C1=NN=N[N-]1	REAL000000002462	0	53	-1.0	-45.00	424.12	8.20	-36.81
CCCCCCCCCC=CC(=O)NC(CCC)C1=N[N-]N=N1	REAL000000002462	1	53	-1.0	-45.01	424.06	8.20	-36.81
CCCCCCCCCC=CC(=O)NC(CCC)C1=NNN=N1	REAL000000002462	1	54	0.0	-9.57	427.50	8.21	-1.36
CCCC(NC(=O)C1=CSC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL000000002463	0	40	-1.0	-46.87	343.63	3.20	-43.66
CCCC(NC(=O)C1=CSC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL000000002463	1	40	-1.0	-46.87	343.57	3.19	-43.67
CCCC(NC(=O)C1=CSC(C(C)(C)C)=N1)C1=NNN=N1	REAL000000002463	1	41	0.0	-7.71	339.82	2.88	-4.83
CCCC(NC(=O)C1=CSC(C2=CC=C3OCOC3=C2)=N1)C1=NN=N[N-]1	REAL000000002464	0	41	-1.0	-46.95	367.66	3.12	-43.83
CCCC(NC(=O)C1=CSC(C2=CC=C3OCOC3=C2)=N1)C1=N[N-]N=N1	REAL000000002464	1	41	-1.0	-46.95	367.60	3.12	-43.83
CCCC(NC(=O)C1=CSC(C2=CC=C3OCOC3=C2)=N1)C1=NNN=N1	REAL000000002464	1	42	0.0	-11.60	371.03	3.13	-8.47
CCCC(NC(=O)C1=CC=C(N2CCCC2)N=N1)C1=NN=N[N-]1	REAL000000002465	0	42	-1.0	-45.73	345.67	2.29	-43.44
CCCC(NC(=O)C1=CC=C(N2CCCC2)N=N1)C1=N[N-]N=N1	REAL000000002465	1	42	-1.0	-45.73	345.61	2.28	-43.45
CCCC(NC(=O)C1=CC=C(N2CCCC2)N=N1)C1=NNN=N1	REAL000000002465	1	43	0.0	-8.87	341.89	1.97	-6.90
CCCC(NC(=O)C1CC(=O)N(CC2=CC=C(OC)C=C2)C1)C1=NN=N[N-]1	REAL000000002466	0	50	-1.0	-51.51	412.76	4.53	-46.98
CCCC(NC(=O)C1CC(=O)N(CC2=CC=C(OC)C=C2)C1)C1=N[N-]N=N1	REAL000000002466	1	50	-1.0	-51.50	412.71	4.52	-46.98
CCCC(NC(=O)C1CC(=O)N(CC2=CC=C(OC)C=C2)C1)C1=NNN=N1	REAL000000002466	1	51	0.0	-16.24	416.14	4.54	-11.70
CCCC(NC(=O)CNC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000002467	0	37	-1.0	-44.33	328.60	3.14	-41.19
CCCC(NC(=O)CNC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000002467	1	37	-1.0	-44.33	328.54	3.13	-41.20
CCCC(NC(=O)CNC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000002467	1	38	0.0	-11.45	331.97	3.15	-8.30
CCCC(NC(=O)C(C)NC(=O)C1=C2C=CC=CC2=NN1)C1=NN=N[N-]1	REAL000000002468	0	45	-1.0	-47.89	379.94	1.68	-46.21
CCCC(NC(=O)C(C)NC(=O)C1=C2C=CC=CC2=NN1)C1=N[N-]N=N1	REAL000000002468	1	45	-1.0	-47.89	379.88	1.67	-46.22
CCCC(NC(=O)C(C)NC(=O)C1=C2C=CC=CC2=NN1)C1=NNN=N1	REAL000000002468	1	46	0.0	-13.89	383.31	1.69	-12.20
CCCC(NC(=O)CCSCC(=O)OC)C1=NN=N[N-]1	REAL000000002469	0	38	-1.0	-46.38	338.96	3.50	-42.89
CCCC(NC(=O)CCSCC(=O)OC)C1=N[N-]N=N1	REAL000000002469	1	38	-1.0	-46.38	338.90	3.50	-42.88
CCCC(NC(=O)CCSCC(=O)OC)C1=NNN=N1	REAL000000002469	1	39	0.0	-13.15	342.33	3.50	-9.65
CCCC(NC(=O)C1=CC=C(C)C(S(=O)(=O)NCC#N)=C1)C1=NN=N[N-]1	REAL000000002470	0	44	-1.0	-54.62	386.82	1.20	-53.42
CCCC(NC(=O)C1=CC=C(C)C(S(=O)(=O)NCC#N)=C1)C1=N[N-]N=N1	REAL000000002470	1	44	-1.0	-54.62	386.77	1.20	-53.42
CCCC(NC(=O)C1=CC=C(C)C(S(=O)(=O)NCC#N)=C1)C1=NNN=N1	REAL000000002470	1	45	0.0	-18.12	382.15	0.99	-17.14
CCCC(NC(=O)CCNC(=O)C1=C2C=CC=CC2=NN1)C1=NN=N[N-]1	REAL000000002471	0	45	-1.0	-55.92	382.51	1.46	-54.46
CCCC(NC(=O)CCNC(=O)C1=C2C=CC=CC2=NN1)C1=N[N-]N=N1	REAL000000002471	1	45	-1.0	-55.92	382.45	1.46	-54.46
CCCC(NC(=O)CCNC(=O)C1=C2C=CC=CC2=NN1)C1=NNN=N1	REAL000000002471	1	46	0.0	-21.69	385.89	1.47	-20.22
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL000000002472	0	37	-1.0	-48.78	362.04	-0.36	-49.14
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL000000002472	1	37	-1.0	-48.78	361.99	-0.35	-49.13
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(Cl)S1)C1=NNN=N1	REAL000000002472	1	38	0.0	-12.09	358.23	-0.67	-12.76
CCCC(NC(=O)C(C)NC(=O)CC1CCCCC1)C1=NN=N[N-]1	REAL000000002473	0	51	-1.0	-42.19	397.34	3.96	-38.24
CCCC(NC(=O)C(C)NC(=O)CC1CCCCC1)C1=N[N-]N=N1	REAL000000002473	1	51	-1.0	-42.20	397.28	3.95	-38.25
CCCC(NC(=O)C(C)NC(=O)CC1CCCCC1)C1=NNN=N1	REAL000000002473	1	52	0.0	-11.38	400.73	3.97	-7.41
CCCC(NC(=O)CNC(=O)CCC1CCCC1)C1=NN=N[N-]1	REAL000000002474	0	48	-1.0	-43.32	383.64	3.23	-40.08
CCCC(NC(=O)CNC(=O)CCC1CCCC1)C1=N[N-]N=N1	REAL000000002474	1	48	-1.0	-43.31	383.58	3.23	-40.07
CCCC(NC(=O)CNC(=O)CCC1CCCC1)C1=NNN=N1	REAL000000002474	1	49	0.0	-9.19	379.85	2.92	-6.27
CCCC(NC(=O)C1=CN(C2=CC=CC=C2)N=C1C)C1=NN=N[N-]1	REAL000000002475	0	42	-1.0	-48.92	353.42	5.40	-43.52
CCCC(NC(=O)C1=CN(C2=CC=CC=C2)N=C1C)C1=N[N-]N=N1	REAL000000002475	1	42	-1.0	-48.92	353.36	5.40	-43.52
CCCC(NC(=O)C1=CN(C2=CC=CC=C2)N=C1C)C1=NNN=N1	REAL000000002475	1	43	0.0	-11.13	349.61	5.07	-6.05
CCCC(NC(=O)CSC1=NC=CN1C(C)(C)C)C1=NN=N[N-]1	REAL000000002476	0	45	-1.0	-47.24	373.63	4.93	-42.31
CCCC(NC(=O)CSC1=NC=CN1C(C)(C)C)C1=N[N-]N=N1	REAL000000002476	1	45	-1.0	-47.25	373.57	4.92	-42.33
CCCC(NC(=O)CSC1=NC=CN1C(C)(C)C)C1=NNN=N1	REAL000000002476	1	46	0.0	-12.28	377.01	4.94	-7.34
CCCC(NC(=O)C1=C(CS(C)(=O)=O)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL000000002477	0	44	-1.0	-53.97	385.77	2.44	-51.53
CCCC(NC(=O)C1=C(CS(C)(=O)=O)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL000000002477	1	44	-1.0	-53.97	385.71	2.44	-51.53
CCCC(NC(=O)C1=C(CS(C)(=O)=O)C2=CC=CC=C2O1)C1=NNN=N1	REAL000000002477	1	45	0.0	-18.99	389.18	2.44	-16.55
CCCC(NC(=O)[C@@H]1CC2=CC=CC=C2N1C(C)=O)C1=NN=N[N-]1	REAL000000002478	0	43	-1.0	-52.44	352.68	4.55	-47.89
CCCC(NC(=O)[C@@H]1CC2=CC=CC=C2N1C(C)=O)C1=N[N-]N=N1	REAL000000002478	1	43	-1.0	-52.43	352.62	4.54	-47.89
CCCC(NC(=O)[C@@H]1CC2=CC=CC=C2N1C(C)=O)C1=NNN=N1	REAL000000002478	1	44	0.0	-20.22	356.24	4.54	-15.67
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2CC2)=N1)C1=NN=N[N-]1	REAL000000002479	0	45	-1.0	-54.65	381.45	6.62	-48.03
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2CC2)=N1)C1=N[N-]N=N1	REAL000000002479	1	45	-1.0	-54.66	381.39	6.61	-48.05
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2CC2)=N1)C1=NNN=N1	REAL000000002479	1	46	0.0	-16.02	384.82	6.63	-9.39
CCCC(NC(=O)CC1=CSC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL000000002480	0	43	-1.0	-50.48	365.72	3.83	-46.66
CCCC(NC(=O)CC1=CSC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL000000002480	1	43	-1.0	-50.48	365.66	3.83	-46.65
CCCC(NC(=O)CC1=CSC(C(C)(C)C)=N1)C1=NNN=N1	REAL000000002480	1	44	0.0	-12.29	369.10	3.83	-8.46
CCCC(NC(=O)CC(C)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL000000002481	0	41	-1.0	-50.08	338.86	5.59	-44.49
CCCC(NC(=O)CC(C)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL000000002481	1	41	-1.0	-50.07	338.80	5.59	-44.48
CCCC(NC(=O)CC(C)C1=CC=CC=C1F)C1=NNN=N1	REAL000000002481	1	42	0.0	-13.01	342.23	5.60	-7.41
CCCC(NC(=O)C1=CC2=C(S1)C1=CC=CC=C1C(C)(C)C2)C1=NN=N[N-]1	REAL000000002482	0	49	-1.0	-47.13	403.48	8.31	-38.82
CCCC(NC(=O)C1=CC2=C(S1)C1=CC=CC=C1C(C)(C)C2)C1=N[N-]N=N1	REAL000000002482	1	49	-1.0	-47.14	403.42	8.30	-38.83
CCCC(NC(=O)C1=CC2=C(S1)C1=CC=CC=C1C(C)(C)C2)C1=NNN=N1	REAL000000002482	1	50	0.0	-10.55	406.92	8.32	-2.23
CCCC(NC(=O)C1CCC(NC(=O)COCCOC)CC1)C1=NN=N[N-]1	REAL000000002483	0	56	-1.0	-51.39	444.14	3.06	-48.33
CCCC(NC(=O)C1CCC(NC(=O)COCCOC)CC1)C1=N[N-]N=N1	REAL000000002483	1	56	-1.0	-51.38	444.08	3.06	-48.33
CCCC(NC(=O)C1CCC(NC(=O)COCCOC)CC1)C1=NNN=N1	REAL000000002483	1	57	0.0	-23.22	451.95	2.66	-20.56
CCCC(NC(=O)C(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000002484	0	34	-1.0	-39.45	311.61	3.99	-35.46
CCCC(NC(=O)C(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000002484	1	34	-1.0	-39.45	311.55	3.98	-35.47
CCCC(NC(=O)C(=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000002484	1	35	0.0	-6.99	314.98	4.00	-2.99
CCCC(NC(=O)C1=CN=C(CC2=CC=C(F)C=C2)S1)C1=NN=N[N-]1	REAL000000002485	0	41	-1.0	-46.32	371.27	5.34	-40.97
CCCC(NC(=O)C1=CN=C(CC2=CC=C(F)C=C2)S1)C1=N[N-]N=N1	REAL000000002485	1	41	-1.0	-46.32	371.21	5.34	-40.98
CCCC(NC(=O)C1=CN=C(CC2=CC=C(F)C=C2)S1)C1=NNN=N1	REAL000000002485	1	42	0.0	-13.15	374.64	5.35	-7.80
CCCC(NC(=O)CN1C2=CC=CC=C2CCCC1=O)C1=NN=N[N-]1	REAL000000002486	0	46	-1.0	-56.72	369.07	5.67	-51.05
CCCC(NC(=O)CN1C2=CC=CC=C2CCCC1=O)C1=N[N-]N=N1	REAL000000002486	1	46	-1.0	-56.72	369.02	5.66	-51.06
CCCC(NC(=O)CN1C2=CC=CC=C2CCCC1=O)C1=NNN=N1	REAL000000002486	1	47	0.0	-11.93	362.55	5.17	-6.76
CCCC(NC(=O)CN1C=C([N+](=O)[O-])C=CC1=O)C1=NN=N[N-]1	REAL000000002487	0	37	-1.0	-55.01	331.35	3.57	-51.44
CCCC(NC(=O)CN1C=C([N+](=O)[O-])C=CC1=O)C1=N[N-]N=N1	REAL000000002487	1	37	-1.0	-55.00	331.29	3.57	-51.43
CCCC(NC(=O)CN1C=C([N+](=O)[O-])C=CC1=O)C1=NNN=N1	REAL000000002487	1	38	0.0	-17.54	334.73	3.58	-13.96
CCCC(NC(=O)C1=CN=C2C(=C1)C=NN2C1CCCC1)C1=NN=N[N-]1	REAL000000002488	0	47	-1.0	-45.90	384.44	5.74	-40.16
CCCC(NC(=O)C1=CN=C2C(=C1)C=NN2C1CCCC1)C1=N[N-]N=N1	REAL000000002488	1	47	-1.0	-45.89	384.38	5.73	-40.16
CCCC(NC(=O)C1=CN=C2C(=C1)C=NN2C1CCCC1)C1=NNN=N1	REAL000000002488	1	48	0.0	-12.74	387.81	5.75	-6.99
CCCC1=NC(C(=O)NC(CCC)C2=NN=N[N-]2)=NN1C1=CC=CC=C1Cl	REAL000000002489	0	47	-1.0	-57.17	408.18	7.19	-49.98
CCCC1=NC(C(=O)NC(CCC)C2=N[N-]N=N2)=NN1C1=CC=CC=C1Cl	REAL000000002489	1	47	-1.0	-57.17	408.12	7.19	-49.98
CCCC1=NC(C(=O)NC(CCC)C2=NNN=N2)=NN1C1=CC=CC=C1Cl	REAL000000002489	1	48	0.0	-17.29	411.58	7.20	-10.09
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C(C2CC2)=N1)C1=NN=N[N-]1	REAL000000002490	0	45	-1.0	-57.78	397.93	7.35	-50.43
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C(C2CC2)=N1)C1=N[N-]N=N1	REAL000000002490	1	45	-1.0	-57.78	397.88	7.34	-50.44
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C(C2CC2)=N1)C1=NNN=N1	REAL000000002490	1	46	0.0	-17.60	401.31	7.36	-10.25
CCCC(NC(=O)C1=CC=C(CN2C=C(Cl)C=N2)O1)C1=NN=N[N-]1	REAL000000002491	0	39	-1.0	-49.66	359.93	4.00	-45.66
CCCC(NC(=O)C1=CC=C(CN2C=C(Cl)C=N2)O1)C1=N[N-]N=N1	REAL000000002491	1	39	-1.0	-49.67	359.88	3.99	-45.68
CCCC(NC(=O)C1=CC=C(CN2C=C(Cl)C=N2)O1)C1=NNN=N1	REAL000000002491	1	40	0.0	-11.34	356.13	3.68	-7.67
CCCC(NC(=O)C1=CC=C(CN2C=C(Br)C=N2)O1)C1=NN=N[N-]1	REAL000000002492	0	39	-1.0	-49.59	364.56	4.10	-45.49
CCCC(NC(=O)C1=CC=C(CN2C=C(Br)C=N2)O1)C1=N[N-]N=N1	REAL000000002492	1	39	-1.0	-49.59	364.50	4.10	-45.49
CCCC(NC(=O)C1=CC=C(CN2C=C(Br)C=N2)O1)C1=NNN=N1	REAL000000002492	1	40	0.0	-11.27	360.76	3.78	-7.49
CCCC(NC(=O)C1=CN=C2SN=C(C)C2=C1)C1=NN=N[N-]1	REAL000000002493	0	36	-1.0	-42.97	321.56	2.49	-40.48
CCCC(NC(=O)C1=CN=C2SN=C(C)C2=C1)C1=N[N-]N=N1	REAL000000002493	1	36	-1.0	-42.97	321.50	2.49	-40.47
CCCC(NC(=O)C1=CN=C2SN=C(C)C2=C1)C1=NNN=N1	REAL000000002493	1	37	0.0	-12.43	324.92	2.50	-9.93
CCCC(NC(=O)C1=CC(Br)=C2OCCOC2=C1)C1=NN=N[N-]1	REAL000000002494	0	38	-1.0	-46.49	339.13	3.47	-43.02
CCCC(NC(=O)C1=CC(Br)=C2OCCOC2=C1)C1=N[N-]N=N1	REAL000000002494	1	38	-1.0	-46.49	339.07	3.47	-43.01
CCCC(NC(=O)C1=CC(Br)=C2OCCOC2=C1)C1=NNN=N1	REAL000000002494	1	39	0.0	-9.10	335.31	3.16	-5.94
CCCC(NC(=O)CNC(=O)CC1CCCCC1)C1=NN=N[N-]1	REAL000000002495	0	48	-1.0	-43.34	377.79	3.11	-40.23
CCCC(NC(=O)CNC(=O)CC1CCCCC1)C1=N[N-]N=N1	REAL000000002495	1	48	-1.0	-43.34	377.73	3.10	-40.24
CCCC(NC(=O)CNC(=O)CC1CCCCC1)C1=NNN=N1	REAL000000002495	1	49	0.0	-8.87	373.97	2.79	-6.08
CCCC(NC(=O)C1=CC(C)=C(C2=CC=CC(Cl)=C2)S1)C1=NN=N[N-]1	REAL000000002496	0	42	-1.0	-45.81	382.40	7.50	-38.32
CCCC(NC(=O)C1=CC(C)=C(C2=CC=CC(Cl)=C2)S1)C1=N[N-]N=N1	REAL000000002496	1	42	-1.0	-45.81	382.34	7.50	-38.31
CCCC(NC(=O)C1=CC(C)=C(C2=CC=CC(Cl)=C2)S1)C1=NNN=N1	REAL000000002496	1	43	0.0	-7.96	378.59	7.17	-0.78
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C1=NN=N[N-]1	REAL000000002497	0	42	-1.0	-39.50	361.41	6.43	-33.08
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C1=N[N-]N=N1	REAL000000002497	1	42	-1.0	-39.50	361.35	6.43	-33.07
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C1=NNN=N1	REAL000000002497	1	43	0.0	-9.93	364.73	6.44	-3.49
CCCC(NC(=O)CC1=CC=CC=C1OC(C)C)C1=NN=N[N-]1	REAL000000002498	0	45	-1.0	-47.31	367.10	5.25	-42.06
CCCC(NC(=O)CC1=CC=CC=C1OC(C)C)C1=N[N-]N=N1	REAL000000002498	1	45	-1.0	-47.31	367.04	5.24	-42.07
CCCC(NC(=O)CC1=CC=CC=C1OC(C)C)C1=NNN=N1	REAL000000002498	1	46	0.0	-12.47	370.47	5.27	-7.21
CCCC(NC(=O)C1=CC=C(N2C=CN=C2)N=N1)C1=NN=N[N-]1	REAL000000002499	0	37	-1.0	-46.52	324.92	4.20	-42.32
CCCC(NC(=O)C1=CC=C(N2C=CN=C2)N=N1)C1=N[N-]N=N1	REAL000000002499	1	37	-1.0	-46.53	324.86	4.20	-42.32
CCCC(NC(=O)C1=CC=C(N2C=CN=C2)N=N1)C1=NNN=N1	REAL000000002499	1	38	0.0	-13.60	328.30	4.21	-9.39
CCCC(NC(=O)CC1=CN2C=CC=C(C)C2=N1)C1=NN=N[N-]1	REAL000000002500	0	41	-1.0	-61.62	346.31	5.53	-56.08
CCCC(NC(=O)CC1=CN2C=CC=C(C)C2=N1)C1=N[N-]N=N1	REAL000000002500	1	41	-1.0	-61.61	346.25	5.53	-56.08
CCCC(NC(=O)CC1=CN2C=CC=C(C)C2=N1)C1=NNN=N1	REAL000000002500	1	42	0.0	-20.77	349.91	5.55	-15.22
CCCC(NC(=O)CC1=CN2C=C(Cl)C=C(Cl)C2=N1)C1=NN=N[N-]1	REAL000000002501	0	38	-1.0	-58.99	358.57	5.90	-53.09
CCCC(NC(=O)CC1=CN2C=C(Cl)C=C(Cl)C2=N1)C1=N[N-]N=N1	REAL000000002501	1	38	-1.0	-59.00	358.51	5.90	-53.09
CCCC(NC(=O)CC1=CN2C=C(Cl)C=C(Cl)C2=N1)C1=NNN=N1	REAL000000002501	1	39	0.0	-19.43	361.95	5.91	-13.52
CCCC(NC(=O)C1=CC(C)=NC2=NNC(C)=C21)C1=NN=N[N-]1	REAL000000002502	0	40	-1.0	-46.85	330.97	2.85	-44.00
CCCC(NC(=O)C1=CC(C)=NC2=NNC(C)=C21)C1=N[N-]N=N1	REAL000000002502	1	40	-1.0	-46.84	330.92	2.84	-44.00
CCCC(NC(=O)C1=CC(C)=NC2=NNC(C)=C21)C1=NNN=N1	REAL000000002502	1	41	0.0	-13.73	327.16	2.53	-11.21
CCCC(NC(=O)CSC1=NN=C(C2=CC=CS2)N1C)C1=NN=N[N-]1	REAL000000002503	0	42	-1.0	-48.55	383.33	5.72	-42.84
CCCC(NC(=O)CSC1=NN=C(C2=CC=CS2)N1C)C1=N[N-]N=N1	REAL000000002503	1	42	-1.0	-48.54	383.28	5.71	-42.84
CCCC(NC(=O)CSC1=NN=C(C2=CC=CS2)N1C)C1=NNN=N1	REAL000000002503	1	43	0.0	-15.04	386.71	5.73	-9.31
CCCC(NC(=O)C1=CC=C(N2C=NC3=CC=CC=C32)C=C1)C1=NN=N[N-]1	REAL000000002504	0	45	-1.0	-48.34	381.12	8.27	-40.07
CCCC(NC(=O)C1=CC=C(N2C=NC3=CC=CC=C32)C=C1)C1=N[N-]N=N1	REAL000000002504	1	45	-1.0	-48.34	381.06	8.27	-40.07
CCCC(NC(=O)C1=CC=C(N2C=NC3=CC=CC=C32)C=C1)C1=NNN=N1	REAL000000002504	1	46	0.0	-15.29	384.49	8.28	-7.01
CCCC(NC(=O)CCCCCC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000002505	0	51	-1.0	-48.59	414.37	6.78	-41.81
CCCC(NC(=O)CCCCCC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000002505	1	51	-1.0	-48.59	414.31	6.78	-41.81
CCCC(NC(=O)CCCCCC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000002505	1	52	0.0	-10.40	410.59	6.46	-3.94
CCCC(NC(=O)C1=CC=C(SCC)N=C1)C1=NN=N[N-]1	REAL000000002506	0	38	-1.0	-43.91	333.54	3.96	-39.94
CCCC(NC(=O)C1=CC=C(SCC)N=C1)C1=N[N-]N=N1	REAL000000002506	1	38	-1.0	-43.91	333.49	3.96	-39.94
CCCC(NC(=O)C1=CC=C(SCC)N=C1)C1=NNN=N1	REAL000000002506	1	39	0.0	-10.10	336.92	3.97	-6.13
CCCC(NC(=O)C1=CC=C(C(=O)N(C)C)C=C1)C1=NN=N[N-]1	REAL000000002507	0	42	-1.0	-50.86	344.24	3.47	-47.39
CCCC(NC(=O)C1=CC=C(C(=O)N(C)C)C=C1)C1=N[N-]N=N1	REAL000000002507	1	42	-1.0	-50.85	344.19	3.46	-47.38
CCCC(NC(=O)C1=CC=C(C(=O)N(C)C)C=C1)C1=NNN=N1	REAL000000002507	1	43	0.0	-13.71	341.24	3.18	-10.53
CCCC(NC(=O)C1CCOC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000002508	0	40	-1.0	-46.91	325.33	4.10	-42.81
CCCC(NC(=O)C1CCOC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000002508	1	40	-1.0	-46.92	325.27	4.09	-42.83
CCCC(NC(=O)C1CCOC2=CC=CC=C21)C1=NNN=N1	REAL000000002508	1	41	0.0	-9.19	321.02	4.05	-5.14
CCCC(NC(=O)CCC1=NC(C2=NC=CC=N2)=NO1)C1=NN=N[N-]1	REAL000000002509	0	41	-1.0	-51.91	361.98	1.01	-50.89
CCCC(NC(=O)CCC1=NC(C2=NC=CC=N2)=NO1)C1=N[N-]N=N1	REAL000000002509	1	41	-1.0	-51.90	361.92	1.01	-50.89
CCCC(NC(=O)CCC1=NC(C2=NC=CC=N2)=NO1)C1=NNN=N1	REAL000000002509	1	42	0.0	-19.33	365.36	1.03	-18.31
CCCC(NC(=O)CCC1=CC=C(OC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000002510	0	42	-1.0	-44.65	366.38	4.91	-39.75
CCCC(NC(=O)CCC1=CC=C(OC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000002510	1	42	-1.0	-44.65	366.32	4.91	-39.74
CCCC(NC(=O)CCC1=CC=C(OC(F)(F)F)C=C1)C1=NNN=N1	REAL000000002510	1	43	0.0	-10.50	369.75	4.92	-5.59
CCCC(NC(=O)C1=CC=C(OCC2CC2)N=C1)C1=NN=N[N-]1	REAL000000002511	0	42	-1.0	-43.99	354.99	2.91	-41.08
CCCC(NC(=O)C1=CC=C(OCC2CC2)N=C1)C1=N[N-]N=N1	REAL000000002511	1	42	-1.0	-43.99	354.94	2.90	-41.09
CCCC(NC(=O)C1=CC=C(OCC2CC2)N=C1)C1=NNN=N1	REAL000000002511	1	43	0.0	-10.45	358.37	2.92	-7.53
CCCC(NC(=O)C(C)C1=CC=C(CC)C=C1)C1=NN=N[N-]1	REAL000000002512	0	44	-1.0	-45.67	357.80	6.30	-39.37
CCCC(NC(=O)C(C)C1=CC=C(CC)C=C1)C1=N[N-]N=N1	REAL000000002512	1	44	-1.0	-45.67	357.75	6.30	-39.37
CCCC(NC(=O)C(C)C1=CC=C(CC)C=C1)C1=NNN=N1	REAL000000002512	1	45	0.0	-11.13	361.18	6.31	-4.82
CCCC(NC(=O)CCC1=CC=CC(OC2CCCC2)=C1)C1=NN=N[N-]1	REAL000000002513	0	52	-1.0	-45.67	414.48	7.32	-38.35
CCCC(NC(=O)CCC1=CC=CC(OC2CCCC2)=C1)C1=N[N-]N=N1	REAL000000002513	1	52	-1.0	-45.66	414.42	7.32	-38.34
CCCC(NC(=O)CCC1=CC=CC(OC2CCCC2)=C1)C1=NNN=N1	REAL000000002513	1	53	0.0	-11.60	417.85	7.33	-4.27
CCCC(NC(=O)COC1=CC=CC=C1OCC(F)(F)F)C1=NN=N[N-]1	REAL000000002514	0	43	-1.0	-56.59	378.57	5.35	-51.24
CCCC(NC(=O)COC1=CC=CC=C1OCC(F)(F)F)C1=N[N-]N=N1	REAL000000002514	1	43	-1.0	-56.59	378.51	5.34	-51.25
CCCC(NC(=O)COC1=CC=CC=C1OCC(F)(F)F)C1=NNN=N1	REAL000000002514	1	44	0.0	-19.71	381.95	5.36	-14.35
CCCC(NC(=O)C1=CC=C(CNC(=O)C2CCCC2)C=C1)C1=NN=N[N-]1	REAL000000002515	0	52	-1.0	-49.74	420.61	5.36	-44.37
CCCC(NC(=O)C1=CC=C(CNC(=O)C2CCCC2)C=C1)C1=N[N-]N=N1	REAL000000002515	1	52	-1.0	-49.73	420.56	5.36	-44.38
CCCC(NC(=O)C1=CC=C(CNC(=O)C2CCCC2)C=C1)C1=NNN=N1	REAL000000002515	1	53	0.0	-15.25	423.25	5.37	-9.88
CCCCCS(=O)(=O)CC(=O)NC(CCC)C1=NN=N[N-]1	REAL000000002516	0	43	-1.0	-61.62	366.46	1.61	-60.01
CCCCCS(=O)(=O)CC(=O)NC(CCC)C1=N[N-]N=N1	REAL000000002516	1	43	-1.0	-61.62	366.40	1.60	-60.02
CCCCCS(=O)(=O)CC(=O)NC(CCC)C1=NNN=N1	REAL000000002516	1	44	0.0	-25.24	369.83	1.62	-23.62
CCCC(NC(=O)C(C)OC1=CC=CC=C1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002517	0	52	-1.0	-52.72	422.26	9.21	-43.51
CCCC(NC(=O)C(C)OC1=CC=CC=C1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002517	1	52	-1.0	-52.73	422.20	9.21	-43.52
CCCC(NC(=O)C(C)OC1=CC=CC=C1CC1=CC=CC=C1)C1=NNN=N1	REAL000000002517	1	53	0.0	-14.18	427.29	9.33	-4.85
CCCC(NC(=O)CC(C)NC(=O)C1CCCCC1)C1=NN=N[N-]1	REAL000000002518	0	51	-1.0	-54.01	400.60	4.20	-49.81
CCCC(NC(=O)CC(C)NC(=O)C1CCCCC1)C1=N[N-]N=N1	REAL000000002518	1	51	-1.0	-54.00	400.54	4.19	-49.81
CCCC(NC(=O)CC(C)NC(=O)C1CCCCC1)C1=NNN=N1	REAL000000002518	1	52	0.0	-16.34	403.98	4.20	-12.14
CCCC(NC(=O)CCC1=CC=CC=C1OC(F)(F)F)C1=NN=N[N-]1	REAL000000002519	0	42	-1.0	-44.77	365.20	4.97	-39.80
CCCC(NC(=O)CCC1=CC=CC=C1OC(F)(F)F)C1=N[N-]N=N1	REAL000000002519	1	42	-1.0	-44.76	365.14	4.96	-39.80
CCCC(NC(=O)CCC1=CC=CC=C1OC(F)(F)F)C1=NNN=N1	REAL000000002519	1	43	0.0	-11.58	368.57	4.98	-6.59
CCCC(NC(=O)C1=CN=C(C2=CC=CC=N2)S1)C1=NN=N[N-]1	REAL000000002520	0	37	-1.0	-47.47	337.51	2.84	-44.64
CCCC(NC(=O)C1=CN=C(C2=CC=CC=N2)S1)C1=N[N-]N=N1	REAL000000002520	1	37	-1.0	-47.47	337.45	2.83	-44.64
CCCC(NC(=O)C1=CN=C(C2=CC=CC=N2)S1)C1=NNN=N1	REAL000000002520	1	38	0.0	-12.34	340.89	2.85	-9.49
CCCC(NC(=O)C=CC1=CC=CC(OC(C)C)=C1)C1=NN=N[N-]1	REAL000000002521	0	46	-1.0	-48.28	378.15	5.70	-42.58
CCCC(NC(=O)C=CC1=CC=CC(OC(C)C)=C1)C1=N[N-]N=N1	REAL000000002521	1	46	-1.0	-48.28	378.09	5.70	-42.58
CCCC(NC(=O)C=CC1=CC=CC(OC(C)C)=C1)C1=NNN=N1	REAL000000002521	1	47	0.0	-12.67	381.51	5.71	-6.96
CCCC(NC(=O)C1=CSC(C2=CC=CC=C2C)=N1)C1=NN=N[N-]1	REAL000000002522	0	41	-1.0	-46.84	361.62	5.20	-41.64
CCCC(NC(=O)C1=CSC(C2=CC=CC=C2C)=N1)C1=N[N-]N=N1	REAL000000002522	1	41	-1.0	-46.84	361.57	5.19	-41.64
CCCC(NC(=O)C1=CSC(C2=CC=CC=C2C)=N1)C1=NNN=N1	REAL000000002522	1	42	0.0	-9.47	351.34	4.34	-5.13
CCCC(NC(=O)C1=CSC(C2=CC=CC=C2Cl)=N1)C1=NN=N[N-]1	REAL000000002523	0	38	-1.0	-48.01	351.94	4.75	-43.26
CCCC(NC(=O)C1=CSC(C2=CC=CC=C2Cl)=N1)C1=N[N-]N=N1	REAL000000002523	1	38	-1.0	-48.01	351.88	4.75	-43.27
CCCC(NC(=O)C1=CSC(C2=CC=CC=C2Cl)=N1)C1=NNN=N1	REAL000000002523	1	39	0.0	-10.87	355.32	4.75	-6.12
CCCC(NC(=O)CCCC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000002524	0	53	-1.0	-47.23	418.07	8.24	-38.99
CCCC(NC(=O)CCCC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000002524	1	53	-1.0	-47.22	418.02	8.24	-38.98
CCCC(NC(=O)CCCC1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000002524	1	54	0.0	-8.73	414.27	7.92	-0.81
CCCC(NC(=O)C(C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000002525	0	45	-1.0	-42.90	362.92	1.36	-41.54
CCCC(NC(=O)C(C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000002525	1	45	-1.0	-42.90	362.86	1.35	-41.55
CCCC(NC(=O)C(C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000002525	1	46	0.0	-8.34	359.12	1.03	-7.30
CCCC(NC(=O)C(C)OC1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000002526	0	39	-1.0	-46.08	358.79	5.83	-40.26
CCCC(NC(=O)C(C)OC1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000002526	1	39	-1.0	-46.08	358.74	5.83	-40.25
CCCC(NC(=O)C(C)OC1=CC(Cl)=CC(Cl)=C1)C1=NNN=N1	REAL000000002526	1	40	0.0	-12.25	361.37	5.88	-6.37
CCCC(NC(=O)C1=CC=C(Br)C=N1)C1=NN=N[N-]1	REAL000000002527	0	31	-1.0	-43.13	292.89	2.53	-40.61
CCCC(NC(=O)C1=CC=C(Br)C=N1)C1=N[N-]N=N1	REAL000000002527	1	31	-1.0	-43.14	292.83	2.53	-40.61
CCCC(NC(=O)C1=CC=C(Br)C=N1)C1=NNN=N1	REAL000000002527	1	32	0.0	-8.28	296.27	2.54	-5.74
CCCC(NC(=O)CC1CC(C)CC(C)(C)C1)C1=NN=N[N-]1	REAL000000002528	0	50	-1.0	-45.58	370.95	6.03	-39.54
CCCC(NC(=O)CC1CC(C)CC(C)(C)C1)C1=N[N-]N=N1	REAL000000002528	1	50	-1.0	-45.57	370.89	6.03	-39.55
CCCC(NC(=O)CC1CC(C)CC(C)(C)C1)C1=NNN=N1	REAL000000002528	1	51	0.0	-9.03	377.01	6.12	-2.91
CCCC(NC(=O)CC1=CC=C(OC)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000002529	0	41	-1.0	-56.84	354.51	5.08	-51.76
CCCC(NC(=O)CC1=CC=C(OC)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000002529	1	41	-1.0	-56.84	354.45	5.08	-51.76
CCCC(NC(=O)CC1=CC=C(OC)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000002529	1	42	0.0	-21.14	357.88	5.09	-16.05
CCCC(NC(=O)CC1=CC=C(S(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL000000002530	0	40	-1.0	-53.86	353.21	-0.72	-54.58
CCCC(NC(=O)CC1=CC=C(S(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL000000002530	1	40	-1.0	-53.85	353.16	-0.73	-54.58
CCCC(NC(=O)CC1=CC=C(S(N)(=O)=O)C=C1)C1=NNN=N1	REAL000000002530	1	41	0.0	-19.97	356.53	-0.72	-20.69
CCCC(NC(=O)C1NC2=CC=CC=C2S(=O)(=O)N1)C1=NN=N[N-]1	REAL000000002531	0	40	-1.0	-52.15	345.41	-2.18	-54.34
CCCC(NC(=O)C1NC2=CC=CC=C2S(=O)(=O)N1)C1=N[N-]N=N1	REAL000000002531	1	40	-1.0	-52.16	345.35	-2.19	-54.35
CCCC(NC(=O)C1NC2=CC=CC=C2S(=O)(=O)N1)C1=NNN=N1	REAL000000002531	1	41	0.0	-20.07	348.78	-2.17	-22.24
CCCC(NC(=O)C1CC(C(=O)OCC)=NN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002532	0	50	-1.0	-50.74	419.87	5.62	-45.12
CCCC(NC(=O)C1CC(C(=O)OCC)=NN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002532	1	50	-1.0	-50.73	419.81	5.62	-45.11
CCCC(NC(=O)C1CC(C(=O)OCC)=NN1C1=CC=CC=C1)C1=NNN=N1	REAL000000002532	1	51	0.0	-14.88	423.41	5.64	-9.24
CCCC(NC(=O)C(=O)NCCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002533	0	45	-1.0	-42.16	380.64	3.57	-38.60
CCCC(NC(=O)C(=O)NCCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002533	1	45	-1.0	-42.16	380.58	3.57	-38.60
CCCC(NC(=O)C(=O)NCCCC1=CC=CC=C1)C1=NNN=N1	REAL000000002533	1	46	0.0	-8.30	376.84	3.24	-5.07
CCCC(NC(=O)CCC(=O)N(CCC)CCC)C1=NN=N[N-]1	REAL000000002534	0	50	-1.0	-45.38	401.12	5.09	-40.29
CCCC(NC(=O)CCC(=O)N(CCC)CCC)C1=N[N-]N=N1	REAL000000002534	1	50	-1.0	-45.38	401.06	5.08	-40.30
CCCC(NC(=O)CCC(=O)N(CCC)CCC)C1=NNN=N1	REAL000000002534	1	51	0.0	-9.13	397.34	4.76	-4.37
CCCC(NC(=O)C1=C(C)N=C(C2=NNC=N2)S1)C1=NN=N[N-]1	REAL000000002535	0	37	-1.0	-50.59	335.21	2.26	-48.33
CCCC(NC(=O)C1=C(C)N=C(C2=NNC=N2)S1)C1=N[N-]N=N1	REAL000000002535	1	37	-1.0	-50.59	335.15	2.25	-48.34
CCCC(NC(=O)C1=C(C)N=C(C2=NNC=N2)S1)C1=NNN=N1	REAL000000002535	1	38	0.0	-16.59	338.59	2.27	-14.33
CCCC(NC(=O)CNC1=CC=CC=C1OC)C1=NN=N[N-]1	REAL000000002536	0	41	-1.0	-47.51	340.26	2.05	-45.45
CCCC(NC(=O)CNC1=CC=CC=C1OC)C1=N[N-]N=N1	REAL000000002536	1	41	-1.0	-47.50	340.20	2.05	-45.46
CCCC(NC(=O)CNC1=CC=CC=C1OC)C1=NNN=N1	REAL000000002536	1	42	0.0	-9.76	336.45	1.73	-8.03
CCCC(NC(=O)C1CCC2(CC1)NC(=O)NC2=O)C1=NN=N[N-]1	REAL000000002537	0	44	-1.0	-57.26	350.39	-1.01	-58.28
CCCC(NC(=O)C1CCC2(CC1)NC(=O)NC2=O)C1=N[N-]N=N1	REAL000000002537	1	44	-1.0	-57.26	350.33	-1.02	-58.29
CCCC(NC(=O)C1CCC2(CC1)NC(=O)NC2=O)C1=NNN=N1	REAL000000002537	1	45	0.0	-15.55	358.60	-0.66	-16.21
CCCC(NC(=O)CNC(=O)NCC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000002538	0	44	-1.0	-44.26	390.62	2.03	-42.23
CCCC(NC(=O)CNC(=O)NCC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000002538	1	44	-1.0	-44.26	390.56	2.02	-42.24
CCCC(NC(=O)CNC(=O)NCC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000002538	1	45	0.0	-12.32	394.00	2.04	-10.28
CCCC(NC(=O)C=C(C)C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL000000002539	0	39	-1.0	-47.19	343.99	6.07	-41.11
CCCC(NC(=O)C=C(C)C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL000000002539	1	39	-1.0	-47.19	343.94	6.07	-41.12
CCCC(NC(=O)C=C(C)C1=CC=CC=C1Cl)C1=NNN=N1	REAL000000002539	1	40	0.0	-9.45	347.38	6.08	-3.37
CCCC(NC(=O)C1=CC=C(COC2=CC=C(C#N)C=C2)O1)C1=NN=N[N-]1	REAL000000002540	0	44	-1.0	-49.88	391.18	5.49	-44.39
CCCC(NC(=O)C1=CC=C(COC2=CC=C(C#N)C=C2)O1)C1=N[N-]N=N1	REAL000000002540	1	44	-1.0	-49.88	391.13	5.49	-44.39
CCCC(NC(=O)C1=CC=C(COC2=CC=C(C#N)C=C2)O1)C1=NNN=N1	REAL000000002540	1	45	0.0	-15.19	394.56	5.50	-9.69
CCCC(NC(=O)C1=CC=C(C)C(I)=C1)C1=NN=N[N-]1	REAL000000002541	0	35	-1.0	-46.70	319.65	5.29	-41.41
CCCC(NC(=O)C1=CC=C(C)C(I)=C1)C1=N[N-]N=N1	REAL000000002541	1	35	-1.0	-46.69	319.59	5.28	-41.42
CCCC(NC(=O)C1=CC=C(C)C(I)=C1)C1=NNN=N1	REAL000000002541	1	36	0.0	-9.07	323.03	5.29	-3.77
CCCC(NC(=O)C=C(C)C1=CC=CC=C1OC)C1=NN=N[N-]1	REAL000000002542	0	43	-1.0	-48.41	357.87	5.00	-43.41
CCCC(NC(=O)C=C(C)C1=CC=CC=C1OC)C1=N[N-]N=N1	REAL000000002542	1	43	-1.0	-48.41	357.82	5.00	-43.42
CCCC(NC(=O)C=C(C)C1=CC=CC=C1OC)C1=NNN=N1	REAL000000002542	1	44	0.0	-10.63	361.31	5.02	-5.61
CCCC(NC(=O)CC(C)NC(=O)C1CCCC1)C1=NN=N[N-]1	REAL000000002543	0	48	-1.0	-49.46	382.48	3.53	-45.93
CCCC(NC(=O)CC(C)NC(=O)C1CCCC1)C1=N[N-]N=N1	REAL000000002543	1	48	-1.0	-49.45	382.42	3.52	-45.93
CCCC(NC(=O)CC(C)NC(=O)C1CCCC1)C1=NNN=N1	REAL000000002543	1	49	0.0	-18.12	385.85	3.54	-14.59
CCCC(NC(=O)C(C)SC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL000000002544	0	40	-1.0	-46.16	356.97	5.63	-40.53
CCCC(NC(=O)C(C)SC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL000000002544	1	40	-1.0	-46.15	356.90	5.62	-40.52
CCCC(NC(=O)C(C)SC1=CC=C(C#N)C=C1)C1=NNN=N1	REAL000000002544	1	41	0.0	-12.58	360.31	5.65	-6.93
CCCC(NC(=O)C1=C(C)N=C(CC(C)C)S1)C1=NN=N[N-]1	REAL000000002545	0	43	-1.0	-44.19	361.61	4.35	-39.84
CCCC(NC(=O)C1=C(C)N=C(CC(C)C)S1)C1=N[N-]N=N1	REAL000000002545	1	43	-1.0	-44.20	361.55	4.34	-39.86
CCCC(NC(=O)C1=C(C)N=C(CC(C)C)S1)C1=NNN=N1	REAL000000002545	1	44	0.0	-9.83	364.99	4.35	-5.48
CCCC(NC(=O)C1CCC(C)(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000002546	0	48	-1.0	-47.36	370.77	6.64	-40.72
CCCC(NC(=O)C1CCC(C)(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000002546	1	48	-1.0	-47.36	370.70	6.63	-40.73
CCCC(NC(=O)C1CCC(C)(C)C2=CC=CC=C21)C1=NNN=N1	REAL000000002546	1	49	0.0	-7.20	363.02	6.80	-0.39
CCCC(NC(=O)CC1=CNC2=CC(Cl)=CC=C12)C1=NN=N[N-]1	REAL000000002547	0	39	-1.0	-46.82	347.60	4.89	-41.93
CCCC(NC(=O)CC1=CNC2=CC(Cl)=CC=C12)C1=N[N-]N=N1	REAL000000002547	1	39	-1.0	-46.81	347.55	4.89	-41.93
CCCC(NC(=O)CC1=CNC2=CC(Cl)=CC=C12)C1=NNN=N1	REAL000000002547	1	40	0.0	-13.56	350.98	4.90	-8.66
CCCC(NC(=O)C(C)OC1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL000000002548	0	42	-1.0	-54.94	362.00	5.90	-49.04
CCCC(NC(=O)C(C)OC1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL000000002548	1	42	-1.0	-54.93	361.95	5.90	-49.03
CCCC(NC(=O)C(C)OC1=CC=CC=C1C(F)(F)F)C1=NNN=N1	REAL000000002548	1	43	0.0	-17.89	365.38	5.91	-11.98
CCCC(NC(=O)C1=CC=C(N2CCC(C)CC2)N=C1)C1=NN=N[N-]1	REAL000000002549	0	49	-1.0	-45.22	385.74	4.95	-40.27
CCCC(NC(=O)C1=CC=C(N2CCC(C)CC2)N=C1)C1=N[N-]N=N1	REAL000000002549	1	49	-1.0	-45.23	385.69	4.95	-40.27
CCCC(NC(=O)C1=CC=C(N2CCC(C)CC2)N=C1)C1=NNN=N1	REAL000000002549	1	50	0.0	-10.29	389.12	4.96	-5.33
CCCC(NC(=O)C1=CC=C(N2CCCC2)N=C1)C1=NN=N[N-]1	REAL000000002550	0	43	-1.0	-44.88	348.10	3.58	-41.30
CCCC(NC(=O)C1=CC=C(N2CCCC2)N=C1)C1=N[N-]N=N1	REAL000000002550	1	43	-1.0	-44.88	348.04	3.57	-41.31
CCCC(NC(=O)C1=CC=C(N2CCCC2)N=C1)C1=NNN=N1	REAL000000002550	1	44	0.0	-10.77	351.48	3.59	-7.18
CCCC(NC(=O)C(C)C1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL000000002551	0	44	-1.0	-49.52	359.37	4.03	-45.48
CCCC(NC(=O)C(C)C1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL000000002551	1	44	-1.0	-49.51	359.32	4.02	-45.48
CCCC(NC(=O)C(C)C1=CC=C2OCCOC2=C1)C1=NNN=N1	REAL000000002551	1	45	0.0	-14.01	362.76	4.04	-9.97
CCCC(NC(=O)CSCC1CCCCO1)C1=NN=N[N-]1	REAL000000002552	0	43	-1.0	-48.59	358.20	3.83	-44.76
CCCC(NC(=O)CSCC1CCCCO1)C1=N[N-]N=N1	REAL000000002552	1	43	-1.0	-48.59	358.14	3.83	-44.76
CCCC(NC(=O)CSCC1CCCCO1)C1=NNN=N1	REAL000000002552	1	44	0.0	-13.75	361.57	3.84	-9.90
CCCC(NC(=O)CC(NC(C)=O)C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL000000002553	0	45	-1.0	-46.13	376.12	4.23	-41.90
CCCC(NC(=O)CC(NC(C)=O)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL000000002553	1	45	-1.0	-46.13	376.06	4.23	-41.89
CCCC(NC(=O)CC(NC(C)=O)C1=C(F)C=CC=C1F)C1=NNN=N1	REAL000000002553	1	46	0.0	-11.57	379.20	4.15	-7.42
CCCC(NC(=O)C1=CC=C(NS(=O)(=O)CCC)C=C1)C1=NN=N[N-]1	REAL000000002554	0	46	-1.0	-49.31	390.72	2.06	-47.25
CCCC(NC(=O)C1=CC=C(NS(=O)(=O)CCC)C=C1)C1=N[N-]N=N1	REAL000000002554	1	46	-1.0	-49.31	390.66	2.06	-47.24
CCCC(NC(=O)C1=CC=C(NS(=O)(=O)CCC)C=C1)C1=NNN=N1	REAL000000002554	1	47	0.0	-13.19	386.92	1.74	-11.45
CCCC(NC(=O)C1=C(C)N(C2=CC=C(C#N)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000002555	0	47	-1.0	-50.05	401.87	7.99	-42.06
CCCC(NC(=O)C1=C(C)N(C2=CC=C(C#N)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000002555	1	47	-1.0	-50.05	401.81	7.98	-42.07
CCCC(NC(=O)C1=C(C)N(C2=CC=C(C#N)C=C2)C(C)=C1)C1=NNN=N1	REAL000000002555	1	48	0.0	-13.67	405.25	8.00	-5.67
CCCC(NC(=O)CC1=C(C)N2NC(=O)C=C2N=C1C)C1=NN=N[N-]1	REAL000000002556	0	44	-1.0	-55.39	365.27	2.38	-53.01
CCCC(NC(=O)COCC(=O)NCC1=CC=CN=C1)C1=NN=N[N-]1	REAL000000002557	0	45	-1.0	-60.89	388.43	2.13	-58.76
CCCC(NC(=O)COCC(=O)NCC1=CC=CN=C1)C1=N[N-]N=N1	REAL000000002557	1	45	-1.0	-60.89	388.37	2.13	-58.76
CCCC(NC(=O)COCC(=O)NCC1=CC=CN=C1)C1=NNN=N1	REAL000000002557	1	46	0.0	-24.97	391.81	2.14	-22.83
CCCC(NC(=O)C1=CC=CC(CN2CCOCC2)=C1)C1=NN=N[N-]1	REAL000000002558	0	48	-1.0	-49.12	382.33	2.56	-46.56
CCCC(NC(=O)C1=CC=CC(CN2CCOCC2)=C1)C1=N[N-]N=N1	REAL000000002558	1	48	-1.0	-49.12	382.27	2.55	-46.57
CCCC(NC(=O)C1=CC=CC(CN2CCOCC2)=C1)C1=NNN=N1	REAL000000002558	1	49	0.0	-12.66	385.71	2.57	-10.09
CCCC(NC(=O)CCC[NH+](CCC)CCC)C1=NN=N[N-]1	REAL000000002559	0	52	0.0	-60.80	392.64	5.99	-54.80
CCCC(NC(=O)CCC[NH+](CCC)CCC)C1=N[N-]N=N1	REAL000000002559	1	52	0.0	-60.79	392.58	6.00	-54.79
CCCC(NC(=O)CCC[NH+](CCC)CCC)C1=NNN=N1	REAL000000002559	1	53	1.0	-41.08	400.49	6.30	-34.78
CCCC(NC(=O)CC1=CSC(C2=NNC=N2)=N1)C1=NN=N[N-]1	REAL000000002560	0	37	-1.0	-62.96	339.42	2.39	-60.57
CCCC(NC(=O)CC1=CSC(C2=NNC=N2)=N1)C1=N[N-]N=N1	REAL000000002560	1	37	-1.0	-62.96	339.37	2.38	-60.58
CCCC(NC(=O)CC1=CSC(C2=NNC=N2)=N1)C1=NNN=N1	REAL000000002560	1	38	0.0	-24.03	342.83	2.40	-21.63
CCCC(NC(=O)C1=CC=C(OCC(=O)OC)C(OCC)=C1)C1=NN=N[N-]1	REAL000000002561	0	49	-1.0	-54.34	411.18	5.28	-49.06
CCCC(NC(=O)C1=CC=C(OCC(=O)OC)C(OCC)=C1)C1=N[N-]N=N1	REAL000000002561	1	49	-1.0	-54.33	411.13	5.28	-49.05
CCCC(NC(=O)C1=CC=C(OCC(=O)OC)C(OCC)=C1)C1=NNN=N1	REAL000000002561	1	50	0.0	-20.68	414.56	5.29	-15.39
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(C#N)C=C2)=C1)C1=NN=N[N-]1	REAL000000002562	0	44	-1.0	-50.48	383.89	6.88	-43.60
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(C#N)C=C2)=C1)C1=N[N-]N=N1	REAL000000002562	1	44	-1.0	-50.47	383.84	6.89	-43.59
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(C#N)C=C2)=C1)C1=NNN=N1	REAL000000002562	1	45	0.0	-15.33	387.28	6.89	-8.43
CCCC(NC(=O)CCCC(=O)N(CCC)CCC)C1=NN=N[N-]1	REAL000000002563	0	53	-1.0	-56.54	422.63	5.87	-50.67
CCCC(NC(=O)CCCC(=O)N(CCC)CCC)C1=N[N-]N=N1	REAL000000002563	1	53	-1.0	-56.55	422.57	5.87	-50.67
CCCC(NC(=O)CCCC(=O)N(CCC)CCC)C1=NNN=N1	REAL000000002563	1	54	0.0	-16.28	418.83	5.54	-10.73
CCCC(NC(=O)C1=CC=CC(NC(=O)OC)=C1)C1=NN=N[N-]1	REAL000000002564	0	40	-1.0	-58.73	341.55	1.89	-56.85
CCCC(NC(=O)C1=CC=CC(NC(=O)OC)=C1)C1=N[N-]N=N1	REAL000000002564	1	40	-1.0	-58.73	341.50	1.88	-56.85
CCCC(NC(=O)C1=CC=CC(NC(=O)OC)=C1)C1=NNN=N1	REAL000000002564	1	41	0.0	-19.44	344.93	1.90	-17.54
CCCC(NC(=O)CCC(=O)NC1=NN=C(C2CC2)O1)C1=NN=N[N-]1	REAL000000002565	0	44	-1.0	-51.24	379.25	-1.00	-52.25
CCCC(NC(=O)CCC(=O)NC1=NN=C(C2CC2)O1)C1=N[N-]N=N1	REAL000000002565	1	44	-1.0	-51.24	379.19	-1.01	-52.25
CCCC(NC(=O)CCC(=O)NC1=NN=C(C2CC2)O1)C1=NNN=N1	REAL000000002565	1	45	0.0	-18.63	382.62	-1.00	-19.62
CCCC(NC(=O)C1=CC=C(CSC2=NNC=N2)C=C1)C1=NN=N[N-]1	REAL000000002566	0	42	-1.0	-52.90	374.11	5.72	-47.18
CCCC(NC(=O)C1=CC=C(CSC2=NNC=N2)C=C1)C1=N[N-]N=N1	REAL000000002566	1	42	-1.0	-52.90	374.05	5.72	-47.18
CCCC(NC(=O)C1=CC=C(CSC2=NNC=N2)C=C1)C1=NNN=N1	REAL000000002566	1	43	0.0	-14.50	370.31	5.41	-9.10
CCCC(NC(=O)CC(C)C1=CC=CC=C1OC)C1=NN=N[N-]1	REAL000000002567	0	45	-1.0	-49.33	361.71	4.97	-44.36
CCCC(NC(=O)CC(C)C1=CC=CC=C1OC)C1=N[N-]N=N1	REAL000000002567	1	45	-1.0	-49.32	361.66	4.96	-44.36
CCCC(NC(=O)CC(C)C1=CC=CC=C1OC)C1=NNN=N1	REAL000000002567	1	46	0.0	-12.49	365.09	4.98	-7.52
CCCOC1=CN(C2=CC=CC=C2)N=C1C(=O)NC(CCC)C1=NN=N[N-]1	REAL000000002568	0	49	-1.0	-54.63	410.37	6.05	-48.58
CCCOC1=CN(C2=CC=CC=C2)N=C1C(=O)NC(CCC)C1=N[N-]N=N1	REAL000000002568	1	49	-1.0	-54.63	410.31	6.05	-48.58
CCCOC1=CN(C2=CC=CC=C2)N=C1C(=O)NC(CCC)C1=NNN=N1	REAL000000002568	1	50	0.0	-14.85	413.75	6.06	-8.79
CCCC(NC(=O)C1=CN=C(C2=CC=C3OCOC3=C2)S1)C1=NN=N[N-]1	REAL000000002569	0	41	-1.0	-47.75	367.17	3.22	-44.53
CCCC(NC(=O)C1=CN=C(C2=CC=C3OCOC3=C2)S1)C1=N[N-]N=N1	REAL000000002569	1	41	-1.0	-47.75	367.11	3.22	-44.53
CCCC(NC(=O)C1=CN=C(C2=CC=C3OCOC3=C2)S1)C1=NNN=N1	REAL000000002569	1	42	0.0	-14.39	370.55	3.23	-11.16
CCCC(NC(=O)CCC(=O)N(CCC#N)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002570	0	49	-1.0	-50.21	416.38	6.46	-43.75
CCCC(NC(=O)CCC(=O)N(CCC#N)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002570	1	49	-1.0	-50.22	416.32	6.46	-43.76
CCCC(NC(=O)CCC(=O)N(CCC#N)C1=CC=CC=C1)C1=NNN=N1	REAL000000002570	1	50	0.0	-16.51	419.76	6.48	-10.04
CCCC(NC(=O)CC(C1=CC=CC=C1)C(F)(F)F)C1=NN=N[N-]1	REAL000000002571	0	41	-1.0	-43.10	349.10	5.76	-37.34
CCCC(NC(=O)CC(C1=CC=CC=C1)C(F)(F)F)C1=N[N-]N=N1	REAL000000002571	1	41	-1.0	-43.10	349.04	5.75	-37.35
CCCC(NC(=O)CC(C1=CC=CC=C1)C(F)(F)F)C1=NNN=N1	REAL000000002571	1	42	0.0	-9.88	353.03	5.76	-4.12
CCCC(NC(=O)CC(NC(C)=O)C1=CC=CC=C1OCC)C1=NN=N[N-]1	REAL000000002572	0	52	-1.0	-46.12	418.11	3.72	-42.40
CCCC(NC(=O)CC(NC(C)=O)C1=CC=CC=C1OCC)C1=N[N-]N=N1	REAL000000002572	1	52	-1.0	-46.12	418.05	3.72	-42.40
CCCC(NC(=O)CC(NC(C)=O)C1=CC=CC=C1OCC)C1=NNN=N1	REAL000000002572	1	53	0.0	-11.84	421.78	3.72	-8.12
CCCC(NC(=O)C1=NN(C2=C(Cl)C=CC=C2Cl)C(C)=N1)C1=NN=N[N-]1	REAL000000002573	0	41	-1.0	-55.83	379.39	6.08	-49.75
CCCC(NC(=O)C1=NN(C2=C(Cl)C=CC=C2Cl)C(C)=N1)C1=N[N-]N=N1	REAL000000002573	1	41	-1.0	-55.83	379.33	6.09	-49.75
CCCC(NC(=O)C1=NN(C2=C(Cl)C=CC=C2Cl)C(C)=N1)C1=NNN=N1	REAL000000002573	1	42	0.0	-16.96	382.54	6.08	-10.88
CCCC(NC(=O)C1=CSC(C2=CN=CC=N2)=N1)C1=NN=N[N-]1	REAL000000002574	0	36	-1.0	-50.80	331.95	0.73	-50.07
CCCC(NC(=O)C1=CSC(C2=CN=CC=N2)=N1)C1=N[N-]N=N1	REAL000000002574	1	36	-1.0	-50.80	331.89	0.73	-50.08
CCCC(NC(=O)C1=CSC(C2=CN=CC=N2)=N1)C1=NNN=N1	REAL000000002574	1	37	0.0	-13.72	335.32	0.73	-12.99
CCCC(NC(=O)C1=CC(N2CCCC2=O)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000002575	0	46	-1.0	-56.43	390.67	5.79	-50.64
CCCC(NC(=O)C1=CC(N2CCCC2=O)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000002575	1	46	-1.0	-56.43	390.61	5.78	-50.66
CCCC(NC(=O)C1=CC(N2CCCC2=O)=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000002575	1	47	0.0	-18.37	394.04	5.78	-12.58
CCCC(NC(=O)CC(C1=CC=CC=C1)N1CCOC1=O)C1=NN=N[N-]1	REAL000000002576	0	47	-1.0	-51.87	381.83	6.02	-45.84
CCCC(NC(=O)CC(C1=CC=CC=C1)N1CCOC1=O)C1=N[N-]N=N1	REAL000000002576	1	47	-1.0	-51.86	381.78	6.03	-45.83
CCCC(NC(=O)CC(C1=CC=CC=C1)N1CCOC1=O)C1=NNN=N1	REAL000000002576	1	48	0.0	-12.64	378.65	5.19	-7.45
CCCC(NC(=O)C1=CC=CC=C1COC1=CC=CC(C=O)=C1)C1=NN=N[N-]1	REAL000000002577	0	48	-1.0	-51.75	401.71	6.79	-44.95
CCCC(NC(=O)C1=CC=CC=C1COC1=CC=CC(C=O)=C1)C1=N[N-]N=N1	REAL000000002577	1	48	-1.0	-51.75	401.65	6.79	-44.96
CCCC(NC(=O)C1=CC=CC=C1COC1=CC=CC(C=O)=C1)C1=NNN=N1	REAL000000002577	1	49	0.0	-16.68	405.07	6.80	-9.88
CCCC(NC(=O)CCN1CCN(C(=O)C2CCCO2)CC1)C1=NN=N[N-]1	REAL000000002578	0	55	-1.0	-54.91	424.90	2.31	-52.61
CCCC(NC(=O)CCN1CCN(C(=O)C2CCCO2)CC1)C1=N[N-]N=N1	REAL000000002578	1	55	-1.0	-54.90	424.84	2.30	-52.60
CCCC(NC(=O)C1=CC(Cl)=NC(NC)=C1)C1=NN=N[N-]1	REAL000000002579	0	36	-1.0	-43.18	321.41	1.97	-41.20
CCCC(NC(=O)C1=CC(Cl)=NC(NC)=C1)C1=N[N-]N=N1	REAL000000002579	1	36	-1.0	-43.17	321.35	1.96	-41.21
CCCC(NC(=O)C1=CC(Cl)=NC(NC)=C1)C1=NNN=N1	REAL000000002579	1	37	0.0	-10.44	324.79	1.97	-8.47
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C(N)=O)=C1)C1=NN=N[N-]1	REAL000000002580	0	43	-1.0	-48.64	368.96	1.37	-47.27
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C(N)=O)=C1)C1=N[N-]N=N1	REAL000000002580	1	43	-1.0	-48.64	368.91	1.37	-47.27
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C(N)=O)=C1)C1=NNN=N1	REAL000000002580	1	44	0.0	-12.35	365.16	1.04	-11.31
CCCC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL000000002581	0	57	0.0	-51.11	432.76	8.54	-42.57
CCCC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL000000002581	1	57	0.0	-51.09	432.70	8.53	-42.56
CCCC(NC(=O)C1=CC(=O)NC2=CC=C([N+](=O)[O-])C=C21)C1=NN=N[N-]1	REAL000000002582	0	40	-1.0	-52.62	349.17	3.38	-49.24
CCCC(NC(=O)C1=CC(=O)NC2=CC=C([N+](=O)[O-])C=C21)C1=N[N-]N=N1	REAL000000002582	1	40	-1.0	-52.62	349.11	3.38	-49.24
CCCC(NC(=O)C1=CC(=O)NC2=CC=C([N+](=O)[O-])C=C21)C1=NNN=N1	REAL000000002582	1	41	0.0	-17.24	352.55	3.39	-13.85
CCCC(NC(=O)C1=C(C)N(C2=C3N=CC=CC3=CC=C2)N=N1)C1=NN=N[N-]1	REAL000000002583	0	46	-1.0	-56.26	389.40	4.43	-51.83
CCCC(NC(=O)C1=C(C)N(C2=C3N=CC=CC3=CC=C2)N=N1)C1=N[N-]N=N1	REAL000000002583	1	46	-1.0	-56.26	389.34	4.44	-51.82
CCCC(NC(=O)C1=C(C)N(C2=C3N=CC=CC3=CC=C2)N=N1)C1=NNN=N1	REAL000000002583	1	47	0.0	-18.17	392.89	4.45	-13.72
CCCC(NC(=O)C1=C(C)N(C2=CC=C3OCCOC3=C2)N=N1)C1=NN=N[N-]1	REAL000000002584	0	47	-1.0	-48.73	392.75	2.99	-45.74
CCCC(NC(=O)C1=C(C)N(C2=CC=C3OCCOC3=C2)N=N1)C1=N[N-]N=N1	REAL000000002584	1	47	-1.0	-48.73	392.69	2.99	-45.74
CCCC(NC(=O)C1=C(C)N(C2=CC=C3OCCOC3=C2)N=N1)C1=NNN=N1	REAL000000002584	1	48	0.0	-13.71	396.12	3.00	-10.71
CCCC(NC(=O)C1=CC=C(OC2=CC=C(Cl)C=N2)C=C1)C1=NN=N[N-]1	REAL000000002585	0	42	-1.0	-47.10	377.70	4.52	-42.58
CCCC(NC(=O)C1=CC=C(OC2=CC=C(Cl)C=N2)C=C1)C1=N[N-]N=N1	REAL000000002585	1	42	-1.0	-47.10	377.64	4.51	-42.59
CCCC(NC(=O)C1=CC=C(OC2=CC=C(Cl)C=N2)C=C1)C1=NNN=N1	REAL000000002585	1	43	0.0	-12.37	381.07	4.53	-7.84
CCCC(NC(=O)C1=CC2=C(CCCC2)NC1=O)C1=NN=N[N-]1	REAL000000002586	0	42	-1.0	-55.84	339.47	3.28	-52.56
CCCC(NC(=O)C1=CC2=C(CCCC2)NC1=O)C1=N[N-]N=N1	REAL000000002586	1	42	-1.0	-55.85	339.41	3.27	-52.58
CCCC(NC(=O)C1=CC2=C(CCCC2)NC1=O)C1=NNN=N1	REAL000000002586	1	43	0.0	-14.46	342.83	3.29	-11.17
CCCC(NC(=O)CC1=COC(C2=CC=CS2)=N1)C1=NN=N[N-]1	REAL000000002587	0	38	-1.0	-58.44	345.82	1.87	-56.57
CCCC(NC(=O)CC1=COC(C2=CC=CS2)=N1)C1=N[N-]N=N1	REAL000000002587	1	38	-1.0	-58.43	345.76	1.87	-56.56
CCCC(NC(=O)CC1=COC(C2=CC=CS2)=N1)C1=NNN=N1	REAL000000002587	1	39	0.0	-14.95	342.03	1.55	-13.40
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=CC=C1Cl)C1=NN=N[N-]1	REAL000000002588	0	42	-1.0	-47.98	361.02	7.61	-40.37
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=CC=C1Cl)C1=N[N-]N=N1	REAL000000002588	1	42	-1.0	-47.97	360.96	7.60	-40.37
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=CC=C1Cl)C1=NNN=N1	REAL000000002588	1	43	0.0	-11.85	364.40	7.62	-4.24
CCCC(NC(=O)C1=CC2=C(CC(C)(C)CC2=O)NC1=O)C1=NN=N[N-]1	REAL000000002589	0	47	-1.0	-62.89	379.00	3.35	-59.54
CCCC(NC(=O)C1=CC2=C(CC(C)(C)CC2=O)NC1=O)C1=N[N-]N=N1	REAL000000002589	1	47	-1.0	-62.89	378.94	3.35	-59.54
CCCC(NC(=O)C1=CC2=C(CC(C)(C)CC2=O)NC1=O)C1=NNN=N1	REAL000000002589	1	48	0.0	-19.12	375.64	3.00	-16.11
CCCC(NC(=O)C=CC1=CC=CC=C1OCC1CCCCC1)C1=NN=N[N-]1	REAL000000002590	0	56	-1.0	-51.18	442.33	8.55	-42.63
CCCC(NC(=O)C=CC1=CC=CC=C1OCC1CCCCC1)C1=N[N-]N=N1	REAL000000002590	1	56	-1.0	-51.18	442.27	8.54	-42.64
CCCC(NC(=O)C=CC1=CC=CC=C1OCC1CCCCC1)C1=NNN=N1	REAL000000002590	1	57	0.0	-9.80	438.46	8.23	-1.58
CCCC(NC(=O)C1=CN(C2=CC=CC([N+](=O)[O-])=C2)N=N1)C1=NN=N[N-]1	REAL000000002591	0	40	-1.0	-50.75	359.91	4.01	-46.74
CCCC(NC(=O)C1=CN(C2=CC=CC([N+](=O)[O-])=C2)N=N1)C1=N[N-]N=N1	REAL000000002591	1	40	-1.0	-50.74	359.85	4.00	-46.74
CCCC(NC(=O)C1=CN(C2=CC=CC([N+](=O)[O-])=C2)N=N1)C1=NNN=N1	REAL000000002591	1	41	0.0	-18.14	363.29	4.02	-14.13
CCCC(NC(=O)CC1=C(C)N=C2C(=C1C)C(=O)NN2C)C1=NN=N[N-]1	REAL000000002592	0	47	-1.0	-52.36	385.60	2.65	-49.71
CCCC(NC(=O)CC1=C(C)N=C2C(=C1C)C(=O)NN2C)C1=N[N-]N=N1	REAL000000002592	1	47	-1.0	-52.36	385.54	2.64	-49.72
CCCC(NC(=O)CC1=C(C)N=C2C(=C1C)C(=O)NN2C)C1=NNN=N1	REAL000000002592	1	48	0.0	-16.93	381.79	2.33	-14.60
CCCC(NC(=O)CCCCCC1=CC=CS1)C1=NN=N[N-]1	REAL000000002593	0	44	-1.0	-46.70	375.10	6.57	-40.13
CCCC(NC(=O)CCCCCC1=CC=CS1)C1=N[N-]N=N1	REAL000000002593	1	44	-1.0	-46.69	375.04	6.57	-40.12
CCCC(NC(=O)CCCCCC1=CC=CS1)C1=NNN=N1	REAL000000002593	1	45	0.0	-11.72	378.48	6.57	-5.15
CCCC(NC(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000002594	0	34	-1.0	-43.92	308.96	4.39	-39.53
CCCC(NC(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000002594	1	34	-1.0	-43.92	308.90	4.38	-39.54
CCCC(NC(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000002594	1	35	0.0	-12.64	312.33	4.40	-8.25
CCCC(NC(=O)CC1=CSC(C2=CC=C(CC)C=C2)=N1)C1=NN=N[N-]1	REAL000000002595	0	47	-1.0	-56.12	405.51	6.72	-49.40
CCCC(NC(=O)CC1=CSC(C2=CC=C(CC)C=C2)=N1)C1=N[N-]N=N1	REAL000000002595	1	47	-1.0	-56.12	405.45	6.72	-49.40
CCCC(NC(=O)CC1=CSC(C2=CC=C(CC)C=C2)=N1)C1=NNN=N1	REAL000000002595	1	48	0.0	-16.08	408.89	6.73	-9.35
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=CC(C)=C2)=C1)C1=NN=N[N-]1	REAL000000002596	0	52	-1.0	-48.57	431.66	8.27	-40.30
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=CC(C)=C2)=C1)C1=N[N-]N=N1	REAL000000002596	1	52	-1.0	-48.57	431.60	8.26	-40.31
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=CC(C)=C2)=C1)C1=NNN=N1	REAL000000002596	1	53	0.0	-14.75	435.04	8.28	-6.47
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=CC=C2C)=C1)C1=NN=N[N-]1	REAL000000002597	0	52	-1.0	-48.69	426.42	8.30	-40.39
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=CC=C2C)=C1)C1=N[N-]N=N1	REAL000000002597	1	52	-1.0	-48.68	426.37	8.30	-40.37
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=CC=C2C)=C1)C1=NNN=N1	REAL000000002597	1	53	0.0	-13.94	429.80	8.31	-5.63
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)C1=NN=N[N-]1	REAL000000002598	0	49	-1.0	-47.65	426.99	8.10	-39.54
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)C1=N[N-]N=N1	REAL000000002598	1	49	-1.0	-47.64	426.93	8.10	-39.54
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)C1=NNN=N1	REAL000000002598	1	50	0.0	-13.44	430.37	8.11	-5.33
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1)C1=NN=N[N-]1	REAL000000002599	0	49	-1.0	-48.09	423.41	8.19	-39.90
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1)C1=N[N-]N=N1	REAL000000002599	1	49	-1.0	-48.09	423.35	8.19	-39.89
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1)C1=NNN=N1	REAL000000002599	1	50	0.0	-13.46	426.79	8.20	-5.26
CCCC(NC(=O)C1=CC=C(C2=CC=C(F)C=C2)C=C1F)C1=NN=N[N-]1	REAL000000002600	0	42	-1.0	-51.34	359.37	7.23	-44.11
CCCC(NC(=O)C1=CC=C(C2=CC=C(F)C=C2)C=C1F)C1=N[N-]N=N1	REAL000000002600	1	42	-1.0	-51.34	359.32	7.22	-44.12
CCCC(NC(=O)C1=CC=C(C2=CC=C(F)C=C2)C=C1F)C1=NNN=N1	REAL000000002600	1	43	0.0	-15.99	362.75	7.24	-8.75
CCCC(NC(=O)[C@H](CC)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000002601	0	48	-1.0	-44.68	376.57	1.91	-42.77
CCCC(NC(=O)[C@H](CC)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000002601	1	48	-1.0	-44.67	376.51	1.90	-42.78
CCCC(NC(=O)[C@H](CC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000002601	1	49	0.0	-9.96	379.95	1.91	-8.05
CCCC(NC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000002602	0	51	-1.0	-42.30	398.12	2.66	-39.64
CCCC(NC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000002602	1	51	-1.0	-42.29	398.06	2.65	-39.64
CCCC(NC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000002602	1	52	0.0	-7.62	394.27	2.33	-5.28
CCCC(NC(=O)C1CCC(NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000002603	0	55	-1.0	-46.34	421.35	4.23	-42.11
CCCC(NC(=O)C1CCC(NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000002603	1	55	-1.0	-46.35	421.29	4.24	-42.11
CCCC(NC(=O)C1CCC(NC(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000002603	1	56	0.0	-14.86	429.16	3.73	-11.13
CCCC(NC(=O)CCN(C(=O)OC(C)(C)C)C(C)C)C1=NN=N[N-]1	REAL000000002604	0	54	-1.0	-51.21	420.44	5.31	-45.90
CCCC(NC(=O)CCN(C(=O)OC(C)(C)C)C(C)C)C1=N[N-]N=N1	REAL000000002604	1	54	-1.0	-51.21	420.38	5.31	-45.90
CCCC(NC(=O)CCN(C(=O)OC(C)(C)C)C(C)C)C1=NNN=N1	REAL000000002604	1	55	0.0	-10.50	416.64	4.99	-5.51
CCCC(NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=NN=N[N-]1	REAL000000002605	0	51	-1.0	-42.29	398.07	2.66	-39.63
CCCC(NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=N[N-]N=N1	REAL000000002605	1	51	-1.0	-42.29	398.01	2.65	-39.64
CCCC(NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=NNN=N1	REAL000000002605	1	52	0.0	-9.83	401.44	2.67	-7.16
CCCC(NC(=O)C1=CC=C2NC(C(F)F)=NC2=C1)C1=NN=N[N-]1	REAL000000002606	0	38	-1.0	-54.02	334.88	3.37	-50.65
CCCC(NC(=O)C1=CC=C2NC(C(F)F)=NC2=C1)C1=N[N-]N=N1	REAL000000002606	1	38	-1.0	-54.01	334.82	3.36	-50.65
CCCC(NC(=O)C1=CC=C2NC(C(F)F)=NC2=C1)C1=NNN=N1	REAL000000002606	1	39	0.0	-18.31	338.26	3.38	-14.93
CCCC(NC(=O)CN(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000002607	0	45	-1.0	-55.94	364.10	3.35	-52.59
CCCC(NC(=O)CN(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000002607	1	45	-1.0	-55.93	364.04	3.35	-52.58
CCCC(NC(=O)CN(C)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000002607	1	46	0.0	-12.82	360.30	3.03	-9.79
CCCC(NC(=O)C1=CC=C(C(=O)NC)N=C1)C1=NN=N[N-]1	REAL000000002608	0	38	-1.0	-45.66	328.20	0.20	-45.46
CCCC(NC(=O)C1=CC=C(C(=O)NC)N=C1)C1=N[N-]N=N1	REAL000000002608	1	38	-1.0	-45.65	328.14	0.20	-45.45
CCCC(NC(=O)C1=CC=C(C(=O)NC)N=C1)C1=NNN=N1	REAL000000002608	1	39	0.0	-10.75	324.40	-0.11	-10.86
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1OCC)C1=NN=N[N-]1	REAL000000002609	0	46	-1.0	-54.79	388.87	5.25	-49.54
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1OCC)C1=N[N-]N=N1	REAL000000002609	1	46	-1.0	-54.79	388.81	5.25	-49.54
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1OCC)C1=NNN=N1	REAL000000002609	1	47	0.0	-15.14	392.25	5.26	-9.88
CCCC(NC(=O)C1=CC=CC(C(=O)N(CCC)CCC)=C1)C1=NN=N[N-]1	REAL000000002610	0	54	-1.0	-57.52	429.78	6.90	-50.62
CCCC(NC(=O)C1=CC=CC(C(=O)N(CCC)CCC)=C1)C1=N[N-]N=N1	REAL000000002610	1	54	-1.0	-57.53	429.72	6.90	-50.62
CCCC(NC(=O)C1=CC=CC(C(=O)N(CCC)CCC)=C1)C1=NNN=N1	REAL000000002610	1	55	0.0	-11.23	424.81	6.58	-4.65
CCCC(NC(=O)COC1=CC=CC=C1C=O)C1=NN=N[N-]1	REAL000000002611	0	38	-1.0	-59.64	329.01	4.96	-54.68
CCCC(NC(=O)COC1=CC=CC=C1C=O)C1=N[N-]N=N1	REAL000000002611	1	38	-1.0	-59.64	328.95	4.96	-54.68
CCCC(NC(=O)COC1=CC=CC=C1C=O)C1=NNN=N1	REAL000000002611	1	39	0.0	-21.74	332.39	4.97	-16.77
CCCC(NC(=O)COC1=CC=C(C=O)C=C1)C1=NN=N[N-]1	REAL000000002612	0	38	-1.0	-51.03	331.00	3.96	-47.07
CCCC(NC(=O)COC1=CC=C(C=O)C=C1)C1=N[N-]N=N1	REAL000000002612	1	38	-1.0	-51.03	330.94	3.95	-47.08
CCCC(NC(=O)COC1=CC=C(C=O)C=C1)C1=NNN=N1	REAL000000002612	1	39	0.0	-17.06	334.38	3.97	-13.09
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C=CC1=O)C1=NN=N[N-]1	REAL000000002613	0	41	-1.0	-61.04	357.48	6.06	-54.98
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C=CC1=O)C1=N[N-]N=N1	REAL000000002613	1	41	-1.0	-61.04	357.43	6.06	-54.98
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C=CC1=O)C1=NNN=N1	REAL000000002613	1	42	0.0	-18.51	353.69	5.64	-12.87
CCCC(NC(=O)CCC1=CC=C(C(=O)OC)C=C1)C1=NN=N[N-]1	REAL000000002614	0	44	-1.0	-46.66	375.19	5.77	-40.89
CCCC(NC(=O)CCC1=CC=C(C(=O)OC)C=C1)C1=N[N-]N=N1	REAL000000002614	1	44	-1.0	-46.65	375.13	5.77	-40.88
CCCC(NC(=O)CCC1=CC=C(C(=O)OC)C=C1)C1=NNN=N1	REAL000000002614	1	45	0.0	-14.04	378.56	5.78	-8.27
CCCC(NC(=O)CC1OCCC2=C1SC=C2)C1=NN=N[N-]1	REAL000000002615	0	40	-1.0	-47.17	340.69	4.36	-42.81
CCCC(NC(=O)CC1OCCC2=C1SC=C2)C1=N[N-]N=N1	REAL000000002615	1	40	-1.0	-47.17	340.63	4.35	-42.82
CCCC(NC(=O)CC1OCCC2=C1SC=C2)C1=NNN=N1	REAL000000002615	1	41	0.0	-11.32	344.07	4.32	-7.01
CCCC(NC(=O)C1=C2C(C(C)C)=NOC2=NC(C2=CC=CO2)=C1)C1=NN=N[N-]1	REAL000000002616	0	49	-1.0	-43.10	404.27	3.76	-39.34
CCCC(NC(=O)C1=C2C(C(C)C)=NOC2=NC(C2=CC=CO2)=C1)C1=N[N-]N=N1	REAL000000002616	1	49	-1.0	-43.09	404.21	3.76	-39.32
CCCC(NC(=O)C1=C2C(C(C)C)=NOC2=NC(C2=CC=CO2)=C1)C1=NNN=N1	REAL000000002616	1	50	0.0	-13.59	407.64	3.77	-9.82
CCCC(NC(=O)CC(C1=CC=CC=C1)C(C)C)C1=NN=N[N-]1	REAL000000002617	0	47	-1.0	-45.55	363.07	6.40	-39.15
CCCC(NC(=O)CC(C1=CC=CC=C1)C(C)C)C1=N[N-]N=N1	REAL000000002617	1	47	-1.0	-45.55	363.01	6.41	-39.14
CCCC(NC(=O)CC(C1=CC=CC=C1)C(C)C)C1=NNN=N1	REAL000000002617	1	48	0.0	-10.10	366.31	6.41	-3.69
CCCC(NC(=O)C1=CC=C2C(=C1)C(C)=C(C)N2CCOC)C1=NN=N[N-]1	REAL000000002618	0	52	-1.0	-50.88	422.83	6.46	-44.42
CCCC(NC(=O)C1=CC=C2C(=C1)C(C)=C(C)N2CCOC)C1=N[N-]N=N1	REAL000000002618	1	52	-1.0	-50.88	422.78	6.45	-44.43
CCCC(NC(=O)C1=CC=C2C(=C1)C(C)=C(C)N2CCOC)C1=NNN=N1	REAL000000002618	1	53	0.0	-13.80	425.41	6.44	-7.35
CCCC(NC(=O)C1=CC=CC(C(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL000000002619	0	42	-1.0	-59.26	346.91	3.49	-55.77
CCCC(NC(=O)C1=CC=CC(C(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL000000002619	1	42	-1.0	-59.26	346.85	3.49	-55.76
CCCC(NC(=O)C1=CC=CC(C(=O)N(C)C)=C1)C1=NNN=N1	REAL000000002619	1	43	0.0	-21.79	350.29	3.50	-18.30
CCCC(NC(=O)C1=CC2=C(CCOC2)S1)C1=NN=N[N-]1	REAL000000002620	0	37	-1.0	-46.17	321.09	2.88	-43.29
CCCC(NC(=O)C1=CC2=C(CCOC2)S1)C1=N[N-]N=N1	REAL000000002620	1	37	-1.0	-46.17	321.03	2.88	-43.29
CCCC(NC(=O)C1=CC2=C(CCOC2)S1)C1=NNN=N1	REAL000000002620	1	38	0.0	-11.06	324.46	2.89	-8.17
CCCC(NC(=O)CSC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL000000002621	0	37	-1.0	-47.16	338.35	5.18	-41.98
CCCC(NC(=O)CSC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL000000002621	1	37	-1.0	-47.16	338.29	5.18	-41.98
CCCC(NC(=O)CSC1=CC=C(C#N)C=C1)C1=NNN=N1	REAL000000002621	1	38	0.0	-15.01	341.71	5.19	-9.82
CCCC(NC(=O)CCOC1=CC=C(C=O)C=C1)C1=NN=N[N-]1	REAL000000002622	0	41	-1.0	-46.62	351.95	3.71	-42.90
CCCC(NC(=O)CCOC1=CC=C(C=O)C=C1)C1=N[N-]N=N1	REAL000000002622	1	41	-1.0	-46.62	351.89	3.70	-42.91
CCCC(NC(=O)CCOC1=CC=C(C=O)C=C1)C1=NNN=N1	REAL000000002622	1	42	0.0	-11.85	348.16	3.39	-8.47
CCCC(NC(=O)CCOC1=CC=CC(C=O)=C1)C1=NN=N[N-]1	REAL000000002623	0	41	-1.0	-49.49	352.11	3.70	-45.79
CCCC(NC(=O)CCOC1=CC=CC(C=O)=C1)C1=N[N-]N=N1	REAL000000002623	1	41	-1.0	-49.48	352.05	3.69	-45.80
CCCC(NC(=O)CCOC1=CC=CC(C=O)=C1)C1=NNN=N1	REAL000000002623	1	42	0.0	-15.59	355.48	3.71	-11.89
CCCC(NC(=O)C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12)C1=NN=N[N-]1	REAL000000002624	0	40	-2.0	-95.00	360.32	3.23	-91.77
CCCC(NC(=O)C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12)C1=N[N-]N=N1	REAL000000002624	1	40	-2.0	-95.00	360.26	3.23	-91.77
CCCC(NC(=O)C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12)C1=NNN=N1	REAL000000002624	1	41	-1.0	-50.27	363.70	3.24	-47.03
CCCC(NC(=O)C1CC(=O)N(CC[NH+](C)C)C1)C1=NN=N[N-]1	REAL000000002625	0	48	0.0	-63.19	381.34	3.54	-59.65
CCCC(NC(=O)C1CC(=O)N(CC[NH+](C)C)C1)C1=N[N-]N=N1	REAL000000002625	1	48	0.0	-63.20	381.28	3.54	-59.65
CCCC(NC(=O)C1CC(=O)N(CC[NH+](C)C)C1)C1=NNN=N1	REAL000000002625	1	49	1.0	-44.06	384.69	3.53	-40.53
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C(C)=C1)C1=NN=N[N-]1	REAL000000002626	0	40	-1.0	-51.25	343.97	-0.63	-51.88
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C(C)=C1)C1=N[N-]N=N1	REAL000000002626	1	40	-1.0	-51.24	343.91	-0.64	-51.88
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C(C)=C1)C1=NNN=N1	REAL000000002626	1	41	0.0	-16.36	347.29	-0.63	-16.98
CCCC(NC(=O)C(C)N1CCN(C2=CC=C(F)C=C2)CC1)C1=NN=N[N-]1	REAL000000002627	0	52	-1.0	-46.80	403.80	3.07	-43.73
CCCC(NC(=O)C(C)N1CCN(C2=CC=C(F)C=C2)CC1)C1=N[N-]N=N1	REAL000000002627	1	52	-1.0	-46.80	403.74	3.07	-43.73
CCCC(NC(=O)C(C)N1CCN(C2=CC=C(F)C=C2)CC1)C1=NNN=N1	REAL000000002627	1	53	0.0	-11.34	404.78	3.06	-8.27
CCCC(NC(=O)CSC1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL000000002628	0	40	-1.0	-48.90	346.99	4.10	-44.80
CCCC(NC(=O)CSC1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL000000002628	1	40	-1.0	-48.89	346.93	4.09	-44.80
CCCC(NC(=O)CSC1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000002628	1	41	0.0	-14.78	350.37	4.11	-10.67
CCCC(NC(=O)C1CC(=O)N(CC2CCC[N@@H+]2CC)C1)C1=NN=N[N-]1	REAL000000002629	0	55	0.0	-63.69	416.11	4.88	-58.81
CCCC(NC(=O)C1CC(=O)N(CC2CCC[N@H+]2CC)C1)C1=NN=N[N-]1	REAL000000002629	1	55	0.0	-56.95	414.15	5.75	-51.21
CCCC(NC(=O)C1CC(=O)N(CC2CCC[N@@H+]2CC)C1)C1=N[N-]N=N1	REAL000000002629	1	55	0.0	-63.69	416.05	4.87	-58.82
CCCC(NC(=O)C1CC(=O)N(CC2CCC[N@H+]2CC)C1)C1=N[N-]N=N1	REAL000000002629	1	55	0.0	-56.94	414.09	5.74	-51.20
CCCC(NC(=O)C1CC(=O)N(CC2CCC[N@@H+]2CC)C1)C1=NNN=N1	REAL000000002629	1	56	1.0	-41.84	419.48	4.90	-36.94
CCCC(NC(=O)C1CC(=O)N(CC2CCC[N@H+]2CC)C1)C1=NNN=N1	REAL000000002629	1	56	1.0	-39.28	417.52	5.75	-33.52
CCCC(NC(=O)CS(=O)(=O)N(CC)CC)C1=NN=N[N-]1	REAL000000002630	0	42	-1.0	-56.06	355.79	0.38	-55.68
CCCC(NC(=O)CS(=O)(=O)N(CC)CC)C1=N[N-]N=N1	REAL000000002630	1	42	-1.0	-56.06	355.73	0.38	-55.68
CCCC(NC(=O)CS(=O)(=O)N(CC)CC)C1=NNN=N1	REAL000000002630	1	43	0.0	-21.18	359.16	0.39	-20.79
CCCC(NC(=O)C1=CC(S(=O)(=O)CC)=CC=C1F)C1=NN=N[N-]1	REAL000000002631	0	41	-1.0	-52.64	361.02	2.16	-50.48
CCCC(NC(=O)C1=CC(S(=O)(=O)CC)=CC=C1F)C1=N[N-]N=N1	REAL000000002631	1	41	-1.0	-52.64	360.96	2.16	-50.48
CCCC(NC(=O)C1=CC(S(=O)(=O)CC)=CC=C1F)C1=NNN=N1	REAL000000002631	1	42	0.0	-19.33	364.40	2.17	-17.16
CCCC(NC(=O)CSC1=NN=NN1CC(F)(F)F)C1=NN=N[N-]1	REAL000000002632	0	37	-1.0	-46.35	352.88	2.16	-44.19
CCCC(NC(=O)CSC1=NN=NN1CC(F)(F)F)C1=N[N-]N=N1	REAL000000002632	1	37	-1.0	-46.34	352.82	2.16	-44.18
CCCC(NC(=O)CSC1=NN=NN1CC(F)(F)F)C1=NNN=N1	REAL000000002632	1	38	0.0	-14.47	356.25	2.17	-12.30
CCCC(NC(=O)C1=C(Br)C(C(C)C)=NN1)C1=NN=N[N-]1	REAL000000002633	0	38	-1.0	-43.13	338.20	2.63	-40.51
CCCC(NC(=O)C1=C(Br)C(C(C)C)=NN1)C1=N[N-]N=N1	REAL000000002633	1	38	-1.0	-43.13	338.15	2.62	-40.51
CCCC(NC(=O)C1=C(Br)C(C(C)C)=NN1)C1=NNN=N1	REAL000000002633	1	39	0.0	-10.63	341.58	2.64	-8.00
CCCC(NC(=O)CCC(=O)NCCNC(C)=O)C1=NN=N[N-]1	REAL000000002634	0	45	-1.0	-50.81	380.58	-1.15	-51.96
CCCC(NC(=O)CCC(=O)NCCNC(C)=O)C1=N[N-]N=N1	REAL000000002634	1	45	-1.0	-50.81	380.52	-1.15	-51.96
CCCC(NC(=O)CCC(=O)NCCNC(C)=O)C1=NNN=N1	REAL000000002634	1	46	0.0	-15.17	377.07	-1.48	-16.65
CCCC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL000000002635	0	56	0.0	-65.56	428.84	6.21	-59.35
CCCC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL000000002635	1	56	0.0	-65.54	428.79	6.20	-59.34
CCCC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000002635	1	57	1.0	-44.75	424.53	5.84	-38.91
CCCC(NC(=O)CCC1=NC2=CC=CN=C2N1)C1=NN=N[N-]1	REAL000000002636	0	40	-1.0	-49.27	341.46	3.09	-46.18
CCCC(NC(=O)CCC1=NC2=CC=CN=C2N1)C1=N[N-]N=N1	REAL000000002636	1	40	-1.0	-49.27	341.40	3.09	-46.18
CCCC(NC(=O)CCC1=NC2=CC=CN=C2N1)C1=NNN=N1	REAL000000002636	1	41	0.0	-14.41	344.83	3.09	-11.31
CCCC(NC(=O)CNC(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000002637	0	41	-1.0	-52.63	377.64	3.35	-49.29
CCCC(NC(=O)CNC(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000002637	1	41	-1.0	-52.63	377.58	3.34	-49.29
CCCC(NC(=O)CNC(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000002637	1	42	0.0	-16.71	373.83	3.02	-13.68
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C)=N1)C1=NN=N[N-]1	REAL000000002638	0	41	-1.0	-55.26	349.58	5.16	-50.11
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C)=N1)C1=N[N-]N=N1	REAL000000002638	1	41	-1.0	-55.26	349.52	5.16	-50.10
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C)=N1)C1=NNN=N1	REAL000000002638	1	42	0.0	-16.48	352.91	5.16	-11.32
CCCC(NC(=O)C1=CC(S(=O)(=O)CC)=CC=C1Cl)C1=NN=N[N-]1	REAL000000002639	0	41	-1.0	-50.12	369.00	2.60	-47.52
CCCC(NC(=O)C1=CC(S(=O)(=O)CC)=CC=C1Cl)C1=N[N-]N=N1	REAL000000002639	1	41	-1.0	-50.12	368.95	2.60	-47.52
CCCC(NC(=O)C1=CC(S(=O)(=O)CC)=CC=C1Cl)C1=NNN=N1	REAL000000002639	1	42	0.0	-17.58	372.38	2.61	-14.98
CCCC(NC(=O)CCCOC1=CC=C(CCOC)C=C1)C1=NN=N[N-]1	REAL000000002640	0	52	-1.0	-49.21	426.91	5.23	-43.98
CCCC(NC(=O)CCCOC1=CC=C(CCOC)C=C1)C1=N[N-]N=N1	REAL000000002640	1	52	-1.0	-49.21	426.85	5.22	-43.99
CCCC(NC(=O)CCCOC1=CC=C(CCOC)C=C1)C1=NNN=N1	REAL000000002640	1	53	0.0	-14.46	430.29	5.24	-9.22
CCCC(NC(=O)CN1CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL000000002641	0	40	-1.0	-52.35	342.79	4.14	-48.21
CCCC(NC(=O)CN1CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL000000002641	1	40	-1.0	-52.35	342.73	4.13	-48.22
CCCC(NC(=O)CN1CC2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000002641	1	41	0.0	-21.94	346.16	4.14	-17.79
CCCC(NC(=O)CNC(=O)OCC(F)(F)F)C1=NN=N[N-]1	REAL000000002642	0	36	-1.0	-43.33	329.91	-0.20	-43.53
CCCC(NC(=O)CNC(=O)OCC(F)(F)F)C1=N[N-]N=N1	REAL000000002642	1	36	-1.0	-43.32	329.86	-0.20	-43.53
CCCC(NC(=O)CNC(=O)OCC(F)(F)F)C1=NNN=N1	REAL000000002642	1	37	0.0	-11.63	333.29	-0.19	-11.81
CCCC(NC(=O)CC1=CNC2=C(CC)C=CC=C12)C1=NN=N[N-]1	REAL000000002643	0	45	-1.0	-48.57	373.80	5.80	-42.77
CCCC(NC(=O)CC1=CNC2=C(CC)C=CC=C12)C1=N[N-]N=N1	REAL000000002643	1	45	-1.0	-48.58	373.74	5.79	-42.79
CCCC(NC(=O)CC1=CNC2=C(CC)C=CC=C12)C1=NNN=N1	REAL000000002643	1	46	0.0	-14.79	377.18	5.81	-8.98
CCCC(NC(=O)C1=CC=CC(COC2=CC=CC(C=O)=C2)=C1)C1=NN=N[N-]1	REAL000000002644	0	48	-1.0	-58.82	408.89	6.64	-52.18
CCCC(NC(=O)C1=CC=CC(COC2=CC=CC(C=O)=C2)=C1)C1=N[N-]N=N1	REAL000000002644	1	48	-1.0	-58.82	408.83	6.64	-52.18
CCCC(NC(=O)C1=CC=CC(COC2=CC=CC(C=O)=C2)=C1)C1=NNN=N1	REAL000000002644	1	49	0.0	-19.74	412.27	6.65	-13.09
CCCC(NC(=O)C1=C(C)C=C(COC2=CC=C(C=O)C=C2)O1)C1=NN=N[N-]1	REAL000000002645	0	48	-1.0	-53.56	411.36	5.51	-48.05
CCCC(NC(=O)C1=C(C)C=C(COC2=CC=C(C=O)C=C2)O1)C1=N[N-]N=N1	REAL000000002645	1	48	-1.0	-53.56	411.30	5.52	-48.05
CCCC(NC(=O)C1=C(C)C=C(COC2=CC=C(C=O)C=C2)O1)C1=NNN=N1	REAL000000002645	1	49	0.0	-14.67	407.54	5.20	-9.47
CCCC(NC(=O)C1=C(COC2=CC=C(C=O)C=C2)OC=C1)C1=NN=N[N-]1	REAL000000002646	0	45	-1.0	-51.01	389.00	4.78	-46.23
CCCC(NC(=O)C1=C(COC2=CC=C(C=O)C=C2)OC=C1)C1=N[N-]N=N1	REAL000000002646	1	45	-1.0	-51.01	388.94	4.78	-46.22
CCCC(NC(=O)C1=C(COC2=CC=C(C=O)C=C2)OC=C1)C1=NNN=N1	REAL000000002646	1	46	0.0	-14.95	385.19	4.46	-10.49
CCCC(NC(=O)COC1=CC([N+](=O)[O-])=C(C=O)C=C1OC)C1=NN=N[N-]1	REAL000000002647	0	44	-1.0	-58.43	384.88	5.48	-52.95
CCCC(NC(=O)COC1=CC([N+](=O)[O-])=C(C=O)C=C1OC)C1=N[N-]N=N1	REAL000000002647	1	44	-1.0	-58.43	384.83	5.47	-52.96
CCCC(NC(=O)COC1=CC([N+](=O)[O-])=C(C=O)C=C1OC)C1=NNN=N1	REAL000000002647	1	45	0.0	-24.24	388.26	5.49	-18.75
CCCC(NC(=O)COC1=CC=C(C=O)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000002648	0	40	-1.0	-60.21	356.93	5.11	-55.10
CCCC(NC(=O)COC1=CC=C(C=O)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000002648	1	40	-1.0	-60.21	356.88	5.11	-55.10
CCCC(NC(=O)COC1=CC=C(C=O)C=C1[N+](=O)[O-])C1=NNN=N1	REAL000000002648	1	41	0.0	-24.32	360.31	5.12	-19.20
CCCC(NC(=O)C(F)(F)OC1=CC=C(C=O)C=C1)C1=NN=N[N-]1	REAL000000002649	0	38	-1.0	-46.46	340.27	4.08	-42.38
CCCC(NC(=O)C(F)(F)OC1=CC=C(C=O)C=C1)C1=N[N-]N=N1	REAL000000002649	1	38	-1.0	-46.46	340.21	4.07	-42.38
CCCC(NC(=O)C(F)(F)OC1=CC=C(C=O)C=C1)C1=NNN=N1	REAL000000002649	1	39	0.0	-12.19	336.45	3.66	-8.53
CCCC(NC(=O)C1=CN(CC2=CC=C(OC)C=C2)N=C1)C1=NN=N[N-]1	REAL000000002650	0	46	-1.0	-48.94	390.33	4.55	-44.39
CCCC(NC(=O)C1=CN(CC2=CC=C(OC)C=C2)N=C1)C1=N[N-]N=N1	REAL000000002650	1	46	-1.0	-48.94	390.27	4.54	-44.40
CCCC(NC(=O)C1=CN(CC2=CC=C(OC)C=C2)N=C1)C1=NNN=N1	REAL000000002650	1	47	0.0	-11.96	386.50	4.23	-7.73
CCCC(NC(=O)C1=CC=CC2=C1OC(C)C(=O)N2)C1=NN=N[N-]1	REAL000000002651	0	41	-1.0	-52.95	343.32	2.80	-50.16
CCCC(NC(=O)C1=CC=CC2=C1OC(C)C(=O)N2)C1=N[N-]N=N1	REAL000000002651	1	41	-1.0	-52.95	343.27	2.80	-50.15
CCCC(NC(=O)C1=CC=CC2=C1OC(C)C(=O)N2)C1=NNN=N1	REAL000000002651	1	42	0.0	-16.71	346.70	2.80	-13.91
CCCC(NC(=O)CC1=C(C)NC2=CC=NN2C1=O)C1=NN=N[N-]1	REAL000000002652	0	41	-1.0	-75.29	347.17	2.55	-72.74
CCCC(NC(=O)CC1=C(C)NC2=CC=NN2C1=O)C1=N[N-]N=N1	REAL000000002652	1	41	-1.0	-75.29	347.11	2.55	-72.73
CCCC(NC(=O)CC1=C(C)NC2=CC=NN2C1=O)C1=NNN=N1	REAL000000002652	1	42	0.0	-32.09	350.56	2.56	-29.53
CCCC(NC(=O)C1=NN(C2=CC=C(C)C=C2C)C2=C1CCC2)C1=NN=N[N-]1	REAL000000002653	0	52	-1.0	-52.81	416.13	8.14	-44.67
CCCC(NC(=O)C1=NN(C2=CC=C(C)C=C2C)C2=C1CCC2)C1=N[N-]N=N1	REAL000000002653	1	52	-1.0	-52.81	416.08	8.13	-44.68
CCCC(NC(=O)C1=NN(C2=CC=C(C)C=C2C)C2=C1CCC2)C1=NNN=N1	REAL000000002653	1	53	0.0	-13.34	419.52	8.15	-5.19
CCCC(NC(=O)C1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)C1=NN=N[N-]1	REAL000000002654	0	46	-1.0	-50.74	402.33	7.44	-43.30
CCCC(NC(=O)C1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)C1=N[N-]N=N1	REAL000000002654	1	46	-1.0	-50.74	402.28	7.43	-43.31
CCCC(NC(=O)C1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)C1=NNN=N1	REAL000000002654	1	47	0.0	-14.68	405.71	7.45	-7.23
CCCC(NC(=O)C1=C(C)N(CC2CC2)C(C)=C1)C1=NN=N[N-]1	REAL000000002655	0	46	-1.0	-49.96	372.74	6.66	-43.30
CCCC(NC(=O)C1=C(C)N(CC2CC2)C(C)=C1)C1=N[N-]N=N1	REAL000000002655	1	46	-1.0	-49.97	372.69	6.66	-43.30
CCCC(NC(=O)C1=C(C)N(CC2CC2)C(C)=C1)C1=NNN=N1	REAL000000002655	1	47	0.0	-11.13	376.12	6.67	-4.46
CCCC(NC(=O)C1=CC=C(C2=NOC=N2)C=C1)C1=NN=N[N-]1	REAL000000002656	0	37	-1.0	-50.07	324.57	2.23	-47.84
CCCC(NC(=O)C1=CC=C(C2=NOC=N2)C=C1)C1=N[N-]N=N1	REAL000000002656	1	37	-1.0	-50.07	324.51	2.22	-47.85
CCCC(NC(=O)C1=CC=C(C2=NOC=N2)C=C1)C1=NNN=N1	REAL000000002656	1	38	0.0	-15.51	327.95	2.24	-13.28
CCCC(NC(=O)CC1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL000000002657	0	38	-1.0	-44.95	328.07	4.99	-39.96
CCCC(NC(=O)CC1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL000000002657	1	38	-1.0	-44.95	328.01	5.00	-39.95
CCCC(NC(=O)CC1=CC=CC=C1C(F)(F)F)C1=NNN=N1	REAL000000002657	1	39	0.0	-11.02	331.42	5.00	-6.02
CCCC(NC(=O)CCCC1=CC=C2NC(=O)CC2=C1)C1=NN=N[N-]1	REAL000000002658	0	46	-1.0	-50.55	383.96	4.36	-46.19
CCCC(NC(=O)CCCC1=CC=C2NC(=O)CC2=C1)C1=N[N-]N=N1	REAL000000002658	1	46	-1.0	-50.54	383.90	4.35	-46.19
CCCC(NC(=O)CCCC1=CC=C2NC(=O)CC2=C1)C1=NNN=N1	REAL000000002658	1	47	0.0	-16.44	387.33	4.37	-12.07
CCCC(NC(=O)CC1=COC(C2=CC=C(Cl)C=C2)=N1)C1=NN=N[N-]1	REAL000000002659	0	41	-1.0	-50.69	371.54	3.43	-47.26
CCCC(NC(=O)CC1=COC(C2=CC=C(Cl)C=C2)=N1)C1=N[N-]N=N1	REAL000000002659	1	41	-1.0	-50.67	371.49	3.43	-47.25
CCCC(NC(=O)CC1=COC(C2=CC=C(Cl)C=C2)=N1)C1=NNN=N1	REAL000000002659	1	42	0.0	-16.01	374.93	3.44	-12.57
CCCC(NC(=O)C1=CC=C(C2=CC=C(OC(F)F)C=C2)S1)C1=NN=N[N-]1	REAL000000002660	0	43	-1.0	-48.54	383.64	5.90	-42.64
CCCC(NC(=O)C1=CC=C(C2=CC=C(OC(F)F)C=C2)S1)C1=N[N-]N=N1	REAL000000002660	1	43	-1.0	-48.54	383.59	5.90	-42.64
CCCC(NC(=O)C1=CC=C(C2=CC=C(OC(F)F)C=C2)S1)C1=NNN=N1	REAL000000002660	1	44	0.0	-13.03	387.02	5.91	-7.11
CCCC(NC(=O)CC(CC)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002661	0	44	-1.0	-46.16	352.53	6.15	-40.01
CCCC(NC(=O)CC(CC)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002661	1	44	-1.0	-46.16	352.47	6.16	-40.00
CCCC(NC(=O)CC(CC)C1=CC=CC=C1)C1=NNN=N1	REAL000000002661	1	45	0.0	-10.93	357.78	6.18	-4.75
CCCC(NC(=O)C1=CC=C(N2CCCC2)C(F)=C1)C1=NN=N[N-]1	REAL000000002662	0	44	-1.0	-47.70	354.58	4.06	-43.64
CCCC(NC(=O)C1=CC=C(N2CCCC2)C(F)=C1)C1=N[N-]N=N1	REAL000000002662	1	44	-1.0	-47.69	354.52	4.06	-43.63
CCCC(NC(=O)C1=CC=C(N2CCCC2)C(F)=C1)C1=NNN=N1	REAL000000002662	1	45	0.0	-10.26	357.93	4.07	-6.19
CCCC(NC(=O)C1=CC=C(N2CCOCC2)C(F)=C1)C1=NN=N[N-]1	REAL000000002663	0	45	-1.0	-44.12	368.17	2.82	-41.30
CCCC(NC(=O)C1=CC=C(N2CCOCC2)C(F)=C1)C1=N[N-]N=N1	REAL000000002663	1	45	-1.0	-44.11	368.11	2.81	-41.31
CCCC(NC(=O)C1=CC=C(N2CCOCC2)C(F)=C1)C1=NNN=N1	REAL000000002663	1	46	0.0	-9.41	364.34	2.50	-6.92
CCCC(NC(=O)CCCC1=CC=C2NC(=O)NC2=C1)C1=NN=N[N-]1	REAL000000002664	0	45	-1.0	-51.43	377.66	2.72	-48.71
CCCC(NC(=O)CCCC1=CC=C2NC(=O)NC2=C1)C1=N[N-]N=N1	REAL000000002664	1	45	-1.0	-51.42	377.60	2.71	-48.71
CCCC(NC(=O)CCCC1=CC=C2NC(=O)NC2=C1)C1=NNN=N1	REAL000000002664	1	46	0.0	-18.28	381.04	2.73	-15.55
CCCC(NC(=O)COC1=CC=CC=C1OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002665	0	50	-1.0	-55.56	418.90	7.94	-47.62
CCCC(NC(=O)COC1=CC=CC=C1OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002665	1	50	-1.0	-55.56	418.85	7.94	-47.61
CCCC(NC(=O)COC1=CC=CC=C1OCC1=CC=CC=C1)C1=NNN=N1	REAL000000002665	1	51	0.0	-15.41	415.09	7.53	-7.88
CCCC(NC(=O)C1=NN(C2=CC=C(C)C=C2F)C2=C1CCC2)C1=NN=N[N-]1	REAL000000002666	0	49	-1.0	-57.72	404.40	7.36	-50.36
CCCC(NC(=O)C1=NN(C2=CC=C(C)C=C2F)C2=C1CCC2)C1=N[N-]N=N1	REAL000000002666	1	49	-1.0	-57.72	404.35	7.36	-50.36
CCCC(NC(=O)C1=NN(C2=CC=C(C)C=C2F)C2=C1CCC2)C1=NNN=N1	REAL000000002666	1	50	0.0	-16.67	407.78	7.37	-9.30
CCCC(NC(=O)C1=CC=C(C(=O)N(CC)CC)C=C1)C1=NN=N[N-]1	REAL000000002667	0	48	-1.0	-50.67	386.55	5.41	-45.26
CCCC(NC(=O)C1=CC=C(C(=O)N(CC)CC)C=C1)C1=N[N-]N=N1	REAL000000002667	1	48	-1.0	-50.66	386.49	5.40	-45.26
CCCC(NC(=O)C1=CC=C(C(=O)N(CC)CC)C=C1)C1=NNN=N1	REAL000000002667	1	49	0.0	-16.98	388.70	5.40	-11.58
CCCC(NC(=O)C1=CC=CC(C(=O)N(C)CC)=C1)C1=NN=N[N-]1	REAL000000002668	0	45	-1.0	-59.44	368.32	4.52	-54.92
CCCC(NC(=O)C1=CC=CC(C(=O)N(C)CC)=C1)C1=N[N-]N=N1	REAL000000002668	1	45	-1.0	-59.44	368.26	4.51	-54.93
CCCC(NC(=O)C1=CC=CC(C(=O)N(C)CC)=C1)C1=NNN=N1	REAL000000002668	1	46	0.0	-18.08	362.65	4.16	-13.92
CCCC(NC(=O)C1=CC=C(C(=O)N(CC)CCC)C=C1)C1=NN=N[N-]1	REAL000000002669	0	51	-1.0	-49.61	406.82	6.16	-43.45
CCCC(NC(=O)C1=CC=C(C(=O)N(CC)CCC)C=C1)C1=N[N-]N=N1	REAL000000002669	1	51	-1.0	-49.62	406.76	6.15	-43.47
CCCC(NC(=O)C1=CC=C(C(=O)N(CC)CCC)C=C1)C1=NNN=N1	REAL000000002669	1	52	0.0	-16.93	410.20	6.17	-10.76
CCCC(NC(=O)CC(C)S(=O)(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000002670	0	44	-1.0	-52.47	376.86	3.94	-48.53
CCCC(NC(=O)CC(C)S(=O)(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000002670	1	44	-1.0	-52.48	376.81	3.93	-48.55
CCCC(NC(=O)CC(C)S(=O)(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000002670	1	45	0.0	-19.63	380.23	3.95	-15.68
CCCC(NC(=O)C1=CC=C(C2=CC=C(OC)C=C2F)C=C1F)C1=NN=N[N-]1	REAL000000002671	0	46	-1.0	-50.39	393.72	6.69	-43.70
CCCC(NC(=O)C1=CC=C(C2=CC=C(OC)C=C2F)C=C1F)C1=N[N-]N=N1	REAL000000002671	1	46	-1.0	-50.39	393.66	6.69	-43.70
CCCC(NC(=O)C1=CC=C(C2=CC=C(OC)C=C2F)C=C1F)C1=NNN=N1	REAL000000002671	1	47	0.0	-17.89	397.05	6.69	-11.19
CCCC(NC(=O)C(C)CC1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL000000002672	0	41	-1.0	-42.91	366.90	6.55	-36.36
CCCC(NC(=O)C(C)CC1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL000000002672	1	41	-1.0	-42.91	366.84	6.54	-36.37
CCCC(NC(=O)C(C)CC1=CC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000002672	1	42	0.0	-9.99	363.11	6.34	-3.65
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C(Cl)=C2)C=C1)C1=NN=N[N-]1	REAL000000002673	0	39	-1.0	-49.84	367.63	5.79	-44.05
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C(Cl)=C2)C=C1)C1=N[N-]N=N1	REAL000000002673	1	39	-1.0	-49.84	367.57	5.79	-44.05
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C(Cl)=C2)C=C1)C1=NNN=N1	REAL000000002673	1	40	0.0	-13.01	371.01	5.80	-7.21
CCCC(NC(=O)C1=CC=CC(C(=O)N(C)C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000002675	0	49	-1.0	-60.60	396.65	6.66	-53.93
CCCC(NC(=O)C1=CC=CC(C(=O)N(C)C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000002675	1	49	-1.0	-60.59	396.59	6.67	-53.93
CCCC(NC(=O)C1=CC=CC(C(=O)N(C)C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000002675	1	50	0.0	-22.75	400.03	6.67	-16.08
CCCC(NC(=O)CNC1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000002676	0	40	-1.0	-45.05	350.92	3.63	-41.42
CCCC(NC(=O)CNC1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000002676	1	40	-1.0	-45.04	350.86	3.62	-41.42
CCCC(NC(=O)CNC1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000002676	1	41	0.0	-12.40	354.29	3.65	-8.75
CCCC(NC(=O)CC1=CC=CC(OC(F)F)=C1)C1=NN=N[N-]1	REAL000000002677	0	39	-1.0	-49.01	338.24	3.89	-45.12
CCCC(NC(=O)CC1=CC=CC(OC(F)F)=C1)C1=N[N-]N=N1	REAL000000002677	1	39	-1.0	-49.01	338.18	3.89	-45.12
CCCC(NC(=O)CC1=CC=CC(OC(F)F)=C1)C1=NNN=N1	REAL000000002677	1	40	0.0	-12.11	334.43	3.58	-8.53
CCCC(NC(=O)C1=CC=C(C2=CC=C(C)C(C)=C2)C=C1F)C1=NN=N[N-]1	REAL000000002678	0	48	-1.0	-51.35	391.35	8.36	-42.98
CCCC(NC(=O)C1=CC=C(C2=CC=C(C)C(C)=C2)C=C1F)C1=N[N-]N=N1	REAL000000002678	1	48	-1.0	-51.35	391.29	8.37	-42.99
CCCC(NC(=O)C1=CC=C(C2=CC=C(C)C(C)=C2)C=C1F)C1=NNN=N1	REAL000000002678	1	49	0.0	-15.14	394.73	8.37	-6.77
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1OCCOC)C1=NN=N[N-]1	REAL000000002679	0	50	-1.0	-58.68	422.50	4.62	-54.06
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1OCCOC)C1=N[N-]N=N1	REAL000000002679	1	50	-1.0	-58.68	422.44	4.62	-54.06
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1OCCOC)C1=NNN=N1	REAL000000002679	1	51	0.0	-15.23	418.70	4.28	-10.95
CCCC(NC(=O)C1CCN(C2=CC=C3OCCOC3=C2)C1=O)C1=NN=N[N-]1	REAL000000002680	0	49	-1.0	-51.12	396.82	3.91	-47.21
CCCC(NC(=O)C1CCN(C2=CC=C3OCCOC3=C2)C1=O)C1=N[N-]N=N1	REAL000000002680	1	49	-1.0	-51.12	396.77	3.90	-47.22
CCCC(NC(=O)C1CCN(C2=CC=C3OCCOC3=C2)C1=O)C1=NNN=N1	REAL000000002680	1	50	0.0	-19.42	399.39	3.94	-15.48
CCCC(NC(=O)C(=O)NC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000002681	0	40	-1.0	-42.22	341.03	1.22	-40.99
CCCC(NC(=O)C(=O)NC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000002681	1	40	-1.0	-42.22	340.97	1.22	-41.00
CCCC(NC(=O)C(=O)NC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000002681	1	41	0.0	-10.40	344.42	1.24	-9.17
CCCC(NC(=O)C1=CC=C(F)C(NC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000002682	0	49	-1.0	-53.03	402.06	4.02	-49.01
CCCC(NC(=O)C1=CC=C(F)C(NC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000002682	1	49	-1.0	-53.03	402.00	4.02	-49.00
CCCC(NC(=O)C1=CC=C(F)C(NC(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000002682	1	50	0.0	-15.96	405.44	4.03	-11.93
CCCC(NC(=O)CNC(=O)N1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL000000002683	0	48	-1.0	-45.13	389.64	4.09	-41.04
CCCC(NC(=O)CNC(=O)N1CCC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL000000002683	1	48	-1.0	-45.13	389.58	4.09	-41.04
CCCC(NC(=O)CNC(=O)N1CCC2=CC=CC=C2C1)C1=NNN=N1	REAL000000002683	1	49	0.0	-13.01	393.01	4.10	-8.91
CCCC(NC(=O)CCNC(=O)N1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL000000002684	0	51	-1.0	-55.66	411.76	4.73	-50.93
CCCC(NC(=O)CCNC(=O)N1CCC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL000000002684	1	51	-1.0	-55.65	411.70	4.72	-50.93
CCCC(NC(=O)CCNC(=O)N1CCC2=CC=CC=C2C1)C1=NNN=N1	REAL000000002684	1	52	0.0	-20.57	415.14	4.74	-15.83
CCCC(NC(=O)C1=CC=C(OCC(F)(F)C(F)F)N=C1)C1=NN=N[N-]1	REAL000000002685	0	41	-1.0	-44.79	368.70	2.61	-42.18
CCCC(NC(=O)C1=CC=C(OCC(F)(F)C(F)F)N=C1)C1=N[N-]N=N1	REAL000000002685	1	41	-1.0	-44.79	368.65	2.61	-42.17
CCCC(NC(=O)C1=CC=C(OCC(F)(F)C(F)F)N=C1)C1=NNN=N1	REAL000000002685	1	42	0.0	-9.48	364.90	2.30	-7.18
CCCC(NC(=O)C1=CN=C(C2=CN(C)N=C2)S1)C1=NN=N[N-]1	REAL000000002686	0	38	-1.0	-48.13	345.97	2.35	-45.79
CCCC(NC(=O)C1=CN=C(C2=CN(C)N=C2)S1)C1=N[N-]N=N1	REAL000000002686	1	38	-1.0	-48.13	345.91	2.34	-45.80
CCCC(NC(=O)C1=CN=C(C2=CN(C)N=C2)S1)C1=NNN=N1	REAL000000002686	1	39	0.0	-13.54	349.35	2.36	-11.18
CCCC(NC(=O)C1CC(C2=CC(F)=CC=C2F)=NO1)C1=NN=N[N-]1	REAL000000002687	0	40	-1.0	-53.79	353.38	5.17	-48.62
CCCC(NC(=O)C1CC(C2=CC(F)=CC=C2F)=NO1)C1=N[N-]N=N1	REAL000000002687	1	40	-1.0	-53.79	353.33	5.17	-48.62
CCCC(NC(=O)C1CC(C2=CC(F)=CC=C2F)=NO1)C1=NNN=N1	REAL000000002687	1	41	0.0	-20.23	356.76	5.18	-15.06
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(F)C=C2)C1)C1=NN=N[N-]1	REAL000000002688	0	43	-1.0	-47.41	359.56	4.65	-42.76
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(F)C=C2)C1)C1=N[N-]N=N1	REAL000000002688	1	43	-1.0	-47.41	359.50	4.65	-42.76
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(F)C=C2)C1)C1=NNN=N1	REAL000000002688	1	44	0.0	-15.32	363.44	4.67	-10.65
CCCC(NC(=O)CN1[N-]C=C2C1=NC=NC2=O)C1=NN=N[N-]1	REAL000000002689	0	36	-2.0	-98.32	324.02	0.53	-97.79
CCCC(NC(=O)CN1[N-]C=C2C1=NC=NC2=O)C1=N[N-]N=N1	REAL000000002689	1	36	-2.0	-98.32	323.97	0.52	-97.80
CCCC(NC(=O)C1=CC=C(C2=NOC(C(F)(F)F)=N2)C=C1)C1=NN=N[N-]1	REAL000000002690	0	40	-1.0	-44.29	366.18	3.38	-40.91
CCCC(NC(=O)C1=CC=C(C2=NOC(C(F)(F)F)=N2)C=C1)C1=N[N-]N=N1	REAL000000002690	1	40	-1.0	-44.30	366.12	3.37	-40.92
CCCC(NC(=O)C1=CC=C(C2=NOC(C(F)(F)F)=N2)C=C1)C1=NNN=N1	REAL000000002690	1	41	0.0	-10.84	369.56	3.38	-7.46
CCCC(NC(=O)CCC1=C(C)NC2=NN(C)C(=O)C2=C1C)C1=NN=N[N-]1	REAL000000002691	0	50	-1.0	-58.25	404.85	4.18	-54.07
CCCC(NC(=O)CCC1=C(C)NC2=NN(C)C(=O)C2=C1C)C1=N[N-]N=N1	REAL000000002691	1	50	-1.0	-58.23	404.79	4.17	-54.07
CCCC(NC(=O)CCC1=C(C)NC2=NN(C)C(=O)C2=C1C)C1=NNN=N1	REAL000000002691	1	51	0.0	-23.00	408.22	4.19	-18.81
CCCC(NC(=O)C1=CC2=NC(C)=CC=C2O1)C1=NN=N[N-]1	REAL000000002692	0	37	-1.0	-47.60	322.04	2.85	-44.76
CCCC(NC(=O)C1=CC2=NC(C)=CC=C2O1)C1=N[N-]N=N1	REAL000000002692	1	37	-1.0	-47.61	321.98	2.84	-44.77
CCCC(NC(=O)C1=CC2=NC(C)=CC=C2O1)C1=NNN=N1	REAL000000002692	1	38	0.0	-12.99	325.41	2.86	-10.13
CCCC(NC(=O)CCC1=C(C)N=C(C2=CC=NC=C2)NC1=O)C1=NN=N[N-]1	REAL000000002693	0	49	-1.0	-50.43	408.45	3.74	-46.69
CCCC(NC(=O)CCC1=C(C)N=C(C2=CC=NC=C2)NC1=O)C1=N[N-]N=N1	REAL000000002693	1	49	-1.0	-50.43	408.39	3.73	-46.70
CCCC(NC(=O)C1CC1C1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL000000002694	0	39	-1.0	-49.17	357.87	6.60	-42.57
CCCC(NC(=O)C1CC1C1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL000000002694	1	39	-1.0	-49.17	357.82	6.60	-42.57
CCCC(NC(=O)C1CC1C1=CC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000002694	1	40	0.0	-7.25	345.25	6.18	-1.07
CCCC(NC(=O)C1=NN(C2=CC=CC(Br)=C2)C=C1)C1=NN=N[N-]1	REAL000000002695	0	39	-1.0	-47.57	357.03	5.43	-42.14
CCCC(NC(=O)C1=NN(C2=CC=CC(Br)=C2)C=C1)C1=N[N-]N=N1	REAL000000002695	1	39	-1.0	-47.58	356.97	5.42	-42.15
CCCC(NC(=O)C1=NN(C2=CC=CC(Br)=C2)C=C1)C1=NNN=N1	REAL000000002695	1	40	0.0	-9.09	353.23	5.11	-3.98
CCCC(NC(=O)CC1=CC=C(OCC(C)C)C=C1)C1=NN=N[N-]1	REAL000000002696	0	48	-1.0	-47.69	391.94	6.04	-41.65
CCCC(NC(=O)CC1=CC=C(OCC(C)C)C=C1)C1=N[N-]N=N1	REAL000000002696	1	48	-1.0	-47.69	391.88	6.05	-41.65
CCCC(NC(=O)CC1=CC=C(OCC(C)C)C=C1)C1=NNN=N1	REAL000000002696	1	49	0.0	-9.78	388.12	5.73	-4.05
CCCC(NC(=O)C(C)N1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL000000002697	0	47	-1.0	-51.29	364.34	3.78	-47.50
CCCC(NC(=O)C(C)N1CCC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL000000002697	1	47	-1.0	-51.29	364.28	3.77	-47.51
CCCC(NC(=O)CC1=CC=CC(NS(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000002698	0	43	-1.0	-53.05	372.57	1.03	-52.01
CCCC(NC(=O)CC1=CC=CC(NS(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000002698	1	43	-1.0	-53.04	372.51	1.03	-52.00
CCCC(NC(=O)CC1=CC=CC(NS(C)(=O)=O)=C1)C1=NNN=N1	REAL000000002698	1	44	0.0	-19.36	375.94	1.04	-18.32
CCCC(NC(=O)C1=NN(C2=CC=C(CC)C=C2)C2=C1CCC2)C1=NN=N[N-]1	REAL000000002699	0	52	-1.0	-52.76	425.73	8.05	-44.71
CCCC(NC(=O)C1=NN(C2=CC=C(CC)C=C2)C2=C1CCC2)C1=N[N-]N=N1	REAL000000002699	1	52	-1.0	-52.76	425.67	8.04	-44.72
CCCC(NC(=O)C1=NN(C2=CC=C(CC)C=C2)C2=C1CCC2)C1=NNN=N1	REAL000000002699	1	53	0.0	-13.15	429.11	8.07	-5.09
CCCC(NC(=O)CC(C)CC1=CC=CC=C1OC)C1=NN=N[N-]1	REAL000000002700	0	48	-1.0	-48.51	378.91	5.88	-42.63
CCCC(NC(=O)CC(C)CC1=CC=CC=C1OC)C1=N[N-]N=N1	REAL000000002700	1	48	-1.0	-48.51	378.85	5.88	-42.64
CCCC(NC(=O)CC(C)CC1=CC=CC=C1OC)C1=NNN=N1	REAL000000002700	1	49	0.0	-12.27	386.82	5.70	-6.57
CCCC(NC(=O)CCC1=NC2=CC(C(F)(F)F)=CC=C2S1)C1=NN=N[N-]1	REAL000000002701	0	43	-1.0	-44.71	390.60	5.54	-39.17
CCCC(NC(=O)CCC1=NC2=CC(C(F)(F)F)=CC=C2S1)C1=N[N-]N=N1	REAL000000002701	1	43	-1.0	-44.71	390.54	5.53	-39.18
CCCC(NC(=O)CCC1=NC2=CC(C(F)(F)F)=CC=C2S1)C1=NNN=N1	REAL000000002701	1	44	0.0	-12.99	394.36	5.56	-7.43
CCCC(NC(=O)CCC1=NC2=CC(Cl)=CC=C2S1)C1=NN=N[N-]1	REAL000000002702	0	40	-1.0	-44.71	368.84	5.06	-39.64
CCCC(NC(=O)CCC1=NC2=CC(Cl)=CC=C2S1)C1=N[N-]N=N1	REAL000000002702	1	40	-1.0	-44.70	368.78	5.06	-39.65
CCCC(NC(=O)CCC1=NC2=CC(Cl)=CC=C2S1)C1=NNN=N1	REAL000000002702	1	41	0.0	-9.63	365.02	4.74	-4.89
CCCC(NC(=O)C1=CC=C(CN2C=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000002703	0	43	-1.0	-48.81	362.94	7.19	-41.62
CCCC(NC(=O)C1=CC=C(CN2C=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000002703	1	43	-1.0	-48.82	362.88	7.18	-41.64
CCCC(NC(=O)C1=CC=C(CN2C=CC=C2)C=C1)C1=NNN=N1	REAL000000002703	1	44	0.0	-14.04	366.32	7.20	-6.84
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=CC(Cl)=C2)=C1)C1=NN=N[N-]1	REAL000000002704	0	49	-1.0	-47.76	426.98	8.11	-39.65
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=CC(Cl)=C2)=C1)C1=N[N-]N=N1	REAL000000002704	1	49	-1.0	-47.76	426.93	8.11	-39.65
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=CC(Cl)=C2)=C1)C1=NNN=N1	REAL000000002704	1	50	0.0	-14.36	430.36	8.12	-6.25
CCCC(NC(=O)C1=CN(C2=CC=CC(Br)=C2)N=C1)C1=NN=N[N-]1	REAL000000002705	0	39	-1.0	-46.83	356.62	5.41	-41.41
CCCC(NC(=O)C1=CN(C2=CC=CC(Br)=C2)N=C1)C1=N[N-]N=N1	REAL000000002705	1	39	-1.0	-46.83	356.56	5.40	-41.42
CCCC(NC(=O)C1=CN(C2=CC=CC(Br)=C2)N=C1)C1=NNN=N1	REAL000000002705	1	40	0.0	-9.36	352.80	5.09	-4.27
CCCC(NC(=O)C=CC1=CC=CC(OCC)=C1OC1CCCC1)C1=NN=N[N-]1	REAL000000002706	0	57	-1.0	-51.02	459.14	8.15	-42.87
CCCC(NC(=O)C=CC1=CC=CC(OCC)=C1OC1CCCC1)C1=N[N-]N=N1	REAL000000002706	1	57	-1.0	-51.02	459.09	8.14	-42.87
CCCC(NC(=O)C=CC1=CC=CC(OCC)=C1OC1CCCC1)C1=NNN=N1	REAL000000002706	1	58	0.0	-14.65	462.52	8.16	-6.49
CCCC(NC(=O)C1=CN=C(C2=CC=CO2)S1)C1=NN=N[N-]1	REAL000000002707	0	35	-1.0	-46.26	324.54	2.66	-43.60
CCCC(NC(=O)C1=CN=C(C2=CC=CO2)S1)C1=N[N-]N=N1	REAL000000002707	1	35	-1.0	-46.26	324.48	2.65	-43.61
CCCC(NC(=O)C1=CN=C(C2=CC=CO2)S1)C1=NNN=N1	REAL000000002707	1	36	0.0	-11.61	327.92	2.67	-8.93
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CC#N)C1=NN=N[N-]1	REAL000000002708	0	40	-1.0	-46.41	346.80	5.80	-40.61
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CC#N)C1=N[N-]N=N1	REAL000000002708	1	40	-1.0	-46.41	346.74	5.80	-40.61
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CC#N)C1=NNN=N1	REAL000000002708	1	41	0.0	-13.95	350.23	5.81	-8.14
CCCC(NC(=O)CCOC1=CC(C)=CC(C)=C1C)C1=NN=N[N-]1	REAL000000002709	0	48	-1.0	-46.20	388.02	5.96	-40.25
CCCC(NC(=O)CCOC1=CC(C)=CC(C)=C1C)C1=N[N-]N=N1	REAL000000002709	1	48	-1.0	-46.21	387.96	5.96	-40.25
CCCC(NC(=O)CCOC1=CC(C)=CC(C)=C1C)C1=NNN=N1	REAL000000002709	1	49	0.0	-11.51	391.39	5.97	-5.55
CCCC(NC(=O)C1=CC=C(N2CCCCCC2)N=C1)C1=NN=N[N-]1	REAL000000002710	0	49	-1.0	-45.38	376.15	4.78	-40.60
CCCC(NC(=O)C1=CC=C(N2CCCCCC2)N=C1)C1=N[N-]N=N1	REAL000000002710	1	49	-1.0	-45.39	376.09	4.77	-40.62
CCCC(NC(=O)C1=CC=C(N2CCCCCC2)N=C1)C1=NNN=N1	REAL000000002710	1	50	0.0	-7.57	372.34	4.45	-3.12
CCCC(NC(=O)CCC1=CC(Br)=CS1)C1=NN=N[N-]1	REAL000000002711	0	35	-1.0	-43.19	332.08	4.84	-38.35
CCCC(NC(=O)CCC1=CC(Br)=CS1)C1=N[N-]N=N1	REAL000000002711	1	35	-1.0	-43.19	332.02	4.84	-38.35
CCCC(NC(=O)CCC1=CC(Br)=CS1)C1=NNN=N1	REAL000000002711	1	36	0.0	-9.57	335.45	4.85	-4.72
CCCC(NC(=O)C1=CC=C(OC2=CC=CC(F)=C2C#N)C=C1)C1=NN=N[N-]1	REAL000000002712	0	44	-1.0	-47.81	390.09	6.98	-40.83
CCCC(NC(=O)C1=CC=C(OC2=CC=CC(F)=C2C#N)C=C1)C1=N[N-]N=N1	REAL000000002712	1	44	-1.0	-47.82	390.04	6.98	-40.83
CCCC(NC(=O)C1=CC=C(OC2=CC=CC(F)=C2C#N)C=C1)C1=NNN=N1	REAL000000002712	1	45	0.0	-13.77	386.28	6.66	-7.12
CCCC(NC(=O)CC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL000000002713	0	35	-1.0	-48.20	316.69	4.80	-43.40
CCCC(NC(=O)CC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL000000002713	1	35	-1.0	-48.21	316.63	4.80	-43.40
CCCC(NC(=O)CC1=CC=CC=C1Br)C1=NNN=N1	REAL000000002713	1	36	0.0	-11.68	320.07	4.81	-6.86
CCCC(NC(=O)CC1=CNC2=CC=CC(C)=C12)C1=NN=N[N-]1	REAL000000002714	0	42	-1.0	-48.78	346.05	4.82	-43.96
CCCC(NC(=O)CC1=CNC2=CC=CC(C)=C12)C1=N[N-]N=N1	REAL000000002714	1	42	-1.0	-48.77	346.00	4.83	-43.95
CCCC(NC(=O)CC1=CNC2=CC=CC(C)=C12)C1=NNN=N1	REAL000000002714	1	43	0.0	-14.17	349.43	4.83	-9.34
CCCC(NC(=O)C1=CC=C2C(=C1)N=NN2C)C1=NN=N[N-]1	REAL000000002715	0	37	-1.0	-52.01	318.27	2.11	-49.90
CCCC(NC(=O)C1=CC=C2C(=C1)N=NN2C)C1=N[N-]N=N1	REAL000000002715	1	37	-1.0	-52.00	318.21	2.10	-49.90
CCCC(NC(=O)C1=CC=C2C(=C1)N=NN2C)C1=NNN=N1	REAL000000002715	1	38	0.0	-14.27	314.46	1.79	-12.48
CCCC(NC(=O)C1CC1C1=CC2=C(C=C1OCC)CC(C)O2)C1=NN=N[N-]1	REAL000000002716	0	54	-1.0	-51.63	433.94	6.57	-45.07
CCCC(NC(=O)C1CC1C1=CC2=C(C=C1OCC)CC(C)O2)C1=N[N-]N=N1	REAL000000002716	1	54	-1.0	-51.63	433.88	6.56	-45.08
CCCC(NC(=O)C1CC1C1=CC2=C(C=C1OCC)CC(C)O2)C1=NNN=N1	REAL000000002716	1	55	0.0	-14.03	437.32	6.58	-7.45
CCCC(NC(=O)C=C(C)CC1=CC=CC=C1OC)C1=NN=N[N-]1	REAL000000002717	0	46	-1.0	-47.31	374.42	5.90	-41.41
CCCC(NC(=O)C=C(C)CC1=CC=CC=C1OC)C1=N[N-]N=N1	REAL000000002717	1	46	-1.0	-47.30	374.36	5.89	-41.41
CCCC(NC(=O)C=C(C)CC1=CC=CC=C1OC)C1=NNN=N1	REAL000000002717	1	47	0.0	-11.67	379.88	5.84	-5.83
CCCC(NC(=O)C1=CC=C(C2=CC=C(Cl)C=C2)C=C1F)C1=NN=N[N-]1	REAL000000002718	0	42	-1.0	-50.80	369.70	7.67	-43.13
CCCC(NC(=O)C1=CC=C(C2=CC=C(Cl)C=C2)C=C1F)C1=N[N-]N=N1	REAL000000002718	1	42	-1.0	-50.80	369.64	7.66	-43.14
CCCC(NC(=O)C1=CC=C(C2=CC=C(Cl)C=C2)C=C1F)C1=NNN=N1	REAL000000002718	1	43	0.0	-15.39	373.07	7.68	-7.70
CCCC(NC(=O)C1=CC=C(C2=CC=C(C)C=C2)C=C1F)C1=NN=N[N-]1	REAL000000002719	0	45	-1.0	-51.19	374.38	7.83	-43.36
CCCC(NC(=O)C1=CC=C(C2=CC=C(C)C=C2)C=C1F)C1=N[N-]N=N1	REAL000000002719	1	45	-1.0	-51.20	374.32	7.83	-43.37
CCCC(NC(=O)C1=CC=C(C2=CC=C(C)C=C2)C=C1F)C1=NNN=N1	REAL000000002719	1	46	0.0	-15.04	377.75	7.84	-7.20
CCCC(NC(=O)C1=CC=C(C2=CC=C(OC)C=C2)C=C1F)C1=NN=N[N-]1	REAL000000002720	0	46	-1.0	-52.18	382.41	6.47	-45.71
CCCC(NC(=O)C1=CC=C(C2=CC=C(OC)C=C2)C=C1F)C1=N[N-]N=N1	REAL000000002720	1	46	-1.0	-52.18	382.35	6.47	-45.71
CCCC(NC(=O)C1=CC=C(C2=CC=C(OC)C=C2)C=C1F)C1=NNN=N1	REAL000000002720	1	47	0.0	-16.66	385.79	6.48	-10.18
CCCC(NC(=O)CCC1=NC(C)=C(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL000000002721	0	47	-1.0	-47.73	396.99	4.21	-43.52
CCCC(NC(=O)CCC1=NC(C)=C(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL000000002721	1	47	-1.0	-47.73	396.93	4.21	-43.51
CCCC(NC(=O)CCC1=NC(C)=C(C2=CC=CC=C2)O1)C1=NNN=N1	REAL000000002721	1	48	0.0	-13.29	400.43	4.23	-9.07
CCCC(NC(=O)C1=CC=CC2=C1OCC(=O)N2)C1=NN=N[N-]1	REAL000000002722	0	38	-1.0	-52.28	323.02	2.12	-50.16
CCCC(NC(=O)C1=CC=CC2=C1OCC(=O)N2)C1=N[N-]N=N1	REAL000000002722	1	38	-1.0	-52.28	322.96	2.12	-50.16
CCCC(NC(=O)C1=CC=CC2=C1OCC(=O)N2)C1=NNN=N1	REAL000000002722	1	39	0.0	-17.18	326.39	2.13	-15.05
CCCC(NC(=O)C1=C2C=CC=CC2=CC(Br)=C1)C1=NN=N[N-]1	REAL000000002723	0	38	-1.0	-46.76	336.32	6.48	-40.29
CCCC(NC(=O)C1=C2C=CC=CC2=CC(Br)=C1)C1=N[N-]N=N1	REAL000000002723	1	38	-1.0	-46.76	336.26	6.47	-40.29
CCCC(NC(=O)C1=C2C=CC=CC2=CC(Br)=C1)C1=NNN=N1	REAL000000002723	1	39	0.0	-10.06	339.69	6.49	-3.57
CCCC(NC(=O)C1=CC=C(I)C(F)=C1)C1=NN=N[N-]1	REAL000000002724	0	32	-1.0	-41.60	307.64	4.78	-36.81
CCCC(NC(=O)C1=CC=C(I)C(F)=C1)C1=N[N-]N=N1	REAL000000002724	1	32	-1.0	-41.60	307.58	4.77	-36.83
CCCC(NC(=O)C1=CC=C(I)C(F)=C1)C1=NNN=N1	REAL000000002724	1	33	0.0	-8.91	311.02	4.79	-4.12
CCCC(NC(=O)C1=CC=C(N2C=CC=N2)C(F)=C1)C1=NN=N[N-]1	REAL000000002725	0	39	-1.0	-53.07	337.01	5.00	-48.07
CCCC(NC(=O)C1=CC=C(N2C=CC=N2)C(F)=C1)C1=N[N-]N=N1	REAL000000002725	1	39	-1.0	-53.07	336.95	5.00	-48.07
CCCC(NC(=O)C1=CC=C(N2C=CC=N2)C(F)=C1)C1=NNN=N1	REAL000000002725	1	40	0.0	-13.07	339.36	4.83	-8.24
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2Cl)N=N1)C1=NN=N[N-]1	REAL000000002726	0	41	-1.0	-49.51	363.37	4.45	-45.05
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2Cl)N=N1)C1=N[N-]N=N1	REAL000000002726	1	41	-1.0	-49.51	363.31	4.45	-45.05
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2Cl)N=N1)C1=NNN=N1	REAL000000002726	1	42	0.0	-13.60	366.74	4.46	-9.14
CCCC(NC(=O)C1=C(Cl)C2=CC=C(C)C=C2S1)C1=NN=N[N-]1	REAL000000002727	0	38	-1.0	-46.95	347.50	6.21	-40.74
CCCC(NC(=O)C1=C(Cl)C2=CC=C(C)C=C2S1)C1=N[N-]N=N1	REAL000000002727	1	38	-1.0	-46.95	347.44	6.21	-40.73
CCCC(NC(=O)C1=C(Cl)C2=CC=C(C)C=C2S1)C1=NNN=N1	REAL000000002727	1	39	0.0	-10.75	350.88	6.22	-4.53
CCCC(NC(=O)CCC1=C(C)N(CC2=CC=C(C)C=C2)N=C1C)C1=NN=N[N-]1	REAL000000002728	0	57	-1.0	-47.40	460.60	8.29	-39.10
CCCC(NC(=O)CCC1=C(C)N(CC2=CC=C(C)C=C2)N=C1C)C1=N[N-]N=N1	REAL000000002728	1	57	-1.0	-47.39	460.54	8.28	-39.11
CCCC(NC(=O)CCC1=C(C)N(CC2=CC=C(C)C=C2)N=C1C)C1=NNN=N1	REAL000000002728	1	58	0.0	-14.77	463.97	8.30	-6.47
CCCC(NC(=O)C1=CSC(CNC(=O)OC(C)(C)C)=N1)C1=NN=N[N-]1	REAL000000002729	0	48	-1.0	-48.29	410.04	1.13	-47.16
CCCC(NC(=O)C1=CSC(CNC(=O)OC(C)(C)C)=N1)C1=N[N-]N=N1	REAL000000002729	1	48	-1.0	-48.30	409.98	1.12	-47.18
CCCC(NC(=O)C1=CSC(CNC(=O)OC(C)(C)C)=N1)C1=NNN=N1	REAL000000002729	1	49	0.0	-12.16	413.42	1.13	-11.03
CCCC(NC(=O)COC1=CC=CC(C=O)=C1)C1=NN=N[N-]1	REAL000000002730	0	38	-1.0	-49.89	331.15	3.94	-45.94
CCCC(NC(=O)COC1=CC=CC(C=O)=C1)C1=N[N-]N=N1	REAL000000002730	1	38	-1.0	-49.88	331.09	3.93	-45.94
CCCC(NC(=O)COC1=CC=CC(C=O)=C1)C1=NNN=N1	REAL000000002730	1	39	0.0	-16.87	334.53	3.95	-12.92
CCCC(NC(=O)C1=NN(C2=CC=C(C)C=C2)C2=C1CCCC2)C1=NN=N[N-]1	REAL000000002731	0	52	-1.0	-51.62	417.71	7.76	-43.86
CCCC(NC(=O)C1=NN(C2=CC=C(C)C=C2)C2=C1CCCC2)C1=N[N-]N=N1	REAL000000002731	1	52	-1.0	-51.62	417.65	7.75	-43.88
CCCC(NC(=O)C1=NN(C2=CC=C(C)C=C2)C2=C1CCCC2)C1=NNN=N1	REAL000000002731	1	53	0.0	-10.43	413.88	7.43	-3.00
CCCC(NC(=O)C1=C(C)N(C2=C3C=CN=CC3=CC=C2)N=N1)C1=NN=N[N-]1	REAL000000002732	0	46	-1.0	-52.10	386.91	4.43	-47.68
CCCC(NC(=O)C1=C(C)N(C2=C3C=CN=CC3=CC=C2)N=N1)C1=N[N-]N=N1	REAL000000002732	1	46	-1.0	-52.10	386.86	4.42	-47.68
CCCC(NC(=O)C1=C(C)N(C2=C3C=CN=CC3=CC=C2)N=N1)C1=NNN=N1	REAL000000002732	1	47	0.0	-15.92	390.29	4.44	-11.49
CCCC(NC(=O)C1=C(C)N(C2=CC=C(OC(F)F)C=C2)N=N1)C1=NN=N[N-]1	REAL000000002733	0	45	-1.0	-47.44	387.47	3.40	-44.04
CCCC(NC(=O)C1=C(C)N(C2=CC=C(OC(F)F)C=C2)N=N1)C1=N[N-]N=N1	REAL000000002733	1	45	-1.0	-47.44	387.41	3.40	-44.04
CCCC(NC(=O)C1=C(C)N(C2=CC=C(OC(F)F)C=C2)N=N1)C1=NNN=N1	REAL000000002733	1	46	0.0	-13.34	390.84	3.41	-9.92
CCCC(NC(=O)C1=CC=C(OC)C=C1Cl)C1=NN=N[N-]1	REAL000000002734	0	36	-1.0	-47.97	316.27	3.50	-44.48
CCCC(NC(=O)C1=CC=C(OC)C=C1Cl)C1=N[N-]N=N1	REAL000000002734	1	36	-1.0	-47.96	316.21	3.49	-44.48
CCCC(NC(=O)C1=CC=C(OC)C=C1Cl)C1=NNN=N1	REAL000000002734	1	37	0.0	-9.37	312.46	3.17	-6.20
CCCC(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2F)C=C1)C1=NN=N[N-]1	REAL000000002735	0	43	-1.0	-47.76	376.98	6.69	-41.06
CCCC(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2F)C=C1)C1=N[N-]N=N1	REAL000000002735	1	43	-1.0	-47.76	376.92	6.69	-41.06
CCCC(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2F)C=C1)C1=NNN=N1	REAL000000002735	1	44	0.0	-12.49	380.35	6.70	-5.78
CCCC(NC(=O)C1=C(C)N(C2=C3C=CC=NC3=CC=C2)N=N1)C1=NN=N[N-]1	REAL000000002736	0	46	-1.0	-48.68	386.85	4.31	-44.38
CCCC(NC(=O)C1=C(C)N(C2=C3C=CC=NC3=CC=C2)N=N1)C1=N[N-]N=N1	REAL000000002736	1	46	-1.0	-48.68	386.79	4.31	-44.37
CCCC(NC(=O)C1=C(C)N(C2=C3C=CC=NC3=CC=C2)N=N1)C1=NNN=N1	REAL000000002736	1	47	0.0	-12.40	383.06	4.00	-8.41
CCCC(NC(=O)C1=C(C)N(C2=CC=C(OC(C)C)C=C2)N=N1)C1=NN=N[N-]1	REAL000000002737	0	51	-1.0	-45.44	417.26	4.69	-40.75
CCCC(NC(=O)C1=C(C)N(C2=CC=C(OC(C)C)C=C2)N=N1)C1=N[N-]N=N1	REAL000000002737	1	51	-1.0	-45.43	417.21	4.69	-40.74
CCCC(NC(=O)C1=C(C)N(C2=CC=C(OC(C)C)C=C2)N=N1)C1=NNN=N1	REAL000000002737	1	52	0.0	-11.25	419.26	4.67	-6.58
CCCC(NC(=O)C1=CSC(C2=CC=C3OCCOC3=C2)=N1)C1=NN=N[N-]1	REAL000000002738	0	44	-1.0	-48.20	386.10	3.61	-44.58
CCCC(NC(=O)C1=CSC(C2=CC=C3OCCOC3=C2)=N1)C1=N[N-]N=N1	REAL000000002738	1	44	-1.0	-48.20	386.04	3.60	-44.59
CCCC(NC(=O)C1=CSC(C2=CC=C3OCCOC3=C2)=N1)C1=NNN=N1	REAL000000002738	1	45	0.0	-11.98	389.47	3.62	-8.36
CCCC(NC(=O)C1=CC=C(OCC)C(C)=C1)C1=NN=N[N-]1	REAL000000002739	0	42	-1.0	-46.95	345.66	4.65	-42.30
CCCC(NC(=O)C1=CC=C(OCC)C(C)=C1)C1=N[N-]N=N1	REAL000000002739	1	42	-1.0	-46.95	345.60	4.65	-42.29
CCCC(NC(=O)C1=CC=C(OCC)C(C)=C1)C1=NNN=N1	REAL000000002739	1	43	0.0	-11.59	349.04	4.66	-6.93
CCCC(NC(=O)C1=CC=CC(OC2CCCC2)=C1)C1=NN=N[N-]1	REAL000000002740	0	46	-1.0	-49.94	368.41	5.85	-44.08
CCCC(NC(=O)C1=CC=CC(OC2CCCC2)=C1)C1=N[N-]N=N1	REAL000000002740	1	46	-1.0	-49.93	368.36	5.86	-44.08
CCCC(NC(=O)C1=CC=CC(OC2CCCC2)=C1)C1=NNN=N1	REAL000000002740	1	47	0.0	-9.41	365.22	5.54	-3.87
CCCC(NC(=O)COCCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000002741	0	49	-1.0	-52.57	399.98	1.50	-51.07
CCCC(NC(=O)COCCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000002741	1	49	-1.0	-52.56	399.92	1.50	-51.07
CCCC(NC(=O)COCCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000002741	1	50	0.0	-14.72	396.19	1.08	-13.64
CCCC(NC(=O)CN(CC(F)(F)F)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000002742	0	48	-1.0	-58.46	394.15	4.61	-53.85
CCCC(NC(=O)CN(CC(F)(F)F)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000002742	1	48	-1.0	-58.46	394.09	4.61	-53.85
CCCC(NC(=O)CN(CC(F)(F)F)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000002742	1	49	0.0	-18.84	397.56	4.62	-14.22
CCCC(NC(=O)C(C)OC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL000000002743	0	39	-1.0	-51.76	344.95	5.49	-46.26
CCCC(NC(=O)C(C)OC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL000000002743	1	39	-1.0	-51.75	344.89	5.48	-46.27
CCCC(NC(=O)C(C)OC1=CC=CC=C1Br)C1=NNN=N1	REAL000000002743	1	40	0.0	-15.60	348.32	5.50	-10.10
CCCC(NC(=O)CN1N=CN2N=CC=C2C1=O)C1=NN=N[N-]1	REAL000000002744	0	37	-1.0	-53.07	327.27	2.52	-50.56
CCCC(NC(=O)CN1N=CN2N=CC=C2C1=O)C1=N[N-]N=N1	REAL000000002744	1	37	-1.0	-53.08	327.22	2.52	-50.57
CCCC(NC(=O)CN1N=CN2N=CC=C2C1=O)C1=NNN=N1	REAL000000002744	1	38	0.0	-19.54	330.66	2.52	-17.01
CCCC(NC(=O)C1CC1C1=CC=C(OCC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000002745	0	53	-1.0	-50.97	430.19	8.87	-42.10
CCCC(NC(=O)C1CC1C1=CC=C(OCC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000002745	1	53	-1.0	-50.97	430.13	8.86	-42.11
CCCC(NC(=O)C1CC1C1=CC=C(OCC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000002745	1	54	0.0	-12.82	433.56	8.88	-3.94
CCCC(NC(=O)CC1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL000000002746	0	45	-1.0	-49.38	357.13	6.72	-42.65
CCCC(NC(=O)CC1CCC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL000000002746	1	45	-1.0	-49.37	357.07	6.72	-42.65
CCCC(NC(=O)CC1CCC2=CC=CC=C2C1)C1=NNN=N1	REAL000000002746	1	46	0.0	-11.54	360.51	6.73	-4.81
CCCC(NC(=O)CC(C)C(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002747	0	43	-1.0	-44.04	356.07	5.46	-38.58
CCCC(NC(=O)CC(C)C(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002747	1	43	-1.0	-44.04	356.01	5.46	-38.59
CCCC(NC(=O)CC(C)C(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000002747	1	44	0.0	-10.85	359.45	5.47	-5.39
CCCC(NC(=O)CCCSC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000002748	0	42	-1.0	-46.87	381.96	6.98	-39.89
CCCC(NC(=O)CCCSC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000002748	1	42	-1.0	-46.87	381.90	6.97	-39.90
CCCC(NC(=O)CCCSC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000002748	1	43	0.0	-12.79	385.34	6.99	-5.79
CCCC(NC(=O)CCCCOC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000002749	0	45	-1.0	-45.42	393.14	6.13	-39.29
CCCC(NC(=O)CCCCOC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000002749	1	45	-1.0	-45.42	393.08	6.14	-39.29
CCCC(NC(=O)CCCCOC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000002749	1	46	0.0	-11.40	396.52	6.14	-5.26
CCCC(NC(=O)C1=CN=C(OCC)C(Cl)=C1)C1=NN=N[N-]1	REAL000000002750	0	38	-1.0	-43.28	339.37	1.87	-41.40
CCCC(NC(=O)C1=CN=C(OCC)C(Cl)=C1)C1=N[N-]N=N1	REAL000000002750	1	38	-1.0	-43.27	339.32	1.86	-41.41
CCCC(NC(=O)C1=CN=C(OCC)C(Cl)=C1)C1=NNN=N1	REAL000000002750	1	39	0.0	-10.92	342.75	1.88	-9.04
CCCC(NC(=O)CC1CCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000002751	0	45	-1.0	-45.35	353.29	6.57	-38.78
CCCC(NC(=O)CC1CCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000002751	1	45	-1.0	-45.34	353.24	6.56	-38.78
CCCC(NC(=O)CC1CCCC2=CC=CC=C21)C1=NNN=N1	REAL000000002751	1	46	0.0	-10.00	356.63	6.58	-3.43
CCCC(NC(=O)CC1CCC(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL000000002752	0	51	-1.0	-46.86	396.06	8.05	-38.81
CCCC(NC(=O)CC1CCC(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL000000002752	1	51	-1.0	-46.85	396.01	8.04	-38.81
CCCC(NC(=O)CC1CCC(C2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000002752	1	52	0.0	-10.68	399.43	8.06	-2.61
CCCC(NC(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C1=NN=N[N-]1	REAL000000002753	0	54	-1.0	-47.78	403.91	7.83	-39.95
CCCC(NC(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C1=N[N-]N=N1	REAL000000002753	1	54	-1.0	-47.79	403.86	7.83	-39.95
CCCC(NC(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C1=NNN=N1	REAL000000002753	1	55	0.0	-10.55	407.34	7.85	-2.70
CCCC(NC(=O)CCOC1=CC=C(Cl)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000002754	0	41	-1.0	-45.00	371.60	5.92	-39.07
CCCC(NC(=O)CCOC1=CC=C(Cl)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000002754	1	41	-1.0	-44.99	371.54	5.91	-39.07
CCCC(NC(=O)CCOC1=CC=C(Cl)C=C1[N+](=O)[O-])C1=NNN=N1	REAL000000002754	1	42	0.0	-13.42	374.97	5.93	-7.49
CCCC(NC(=O)C1=CN(C)C(=O)N(C)C1=O)C1=NN=N[N-]1	REAL000000002755	0	38	-1.0	-47.79	321.45	2.15	-45.63
CCCC(NC(=O)C1=CN(C)C(=O)N(C)C1=O)C1=N[N-]N=N1	REAL000000002755	1	38	-1.0	-47.79	321.39	2.15	-45.63
CCCC(NC(=O)C1=CN(C)C(=O)N(C)C1=O)C1=NNN=N1	REAL000000002755	1	39	0.0	-13.76	324.97	2.16	-11.60
CCCC(NC(=O)C(C)OC1=CC=C(F)C=C1Cl)C1=NN=N[N-]1	REAL000000002756	0	39	-1.0	-50.09	346.98	5.45	-44.65
CCCC(NC(=O)C(C)OC1=CC=C(F)C=C1Cl)C1=N[N-]N=N1	REAL000000002756	1	39	-1.0	-50.10	346.93	5.44	-44.66
CCCC(NC(=O)C(C)OC1=CC=C(F)C=C1Cl)C1=NNN=N1	REAL000000002756	1	40	0.0	-15.29	350.36	5.46	-9.84
CCCC(NC(=O)CN1C(=O)C(=O)N(C)C1=O)C1=NN=N[N-]1	REAL000000002757	0	36	-1.0	-49.60	323.72	0.62	-48.98
CCCC(NC(=O)CN1C(=O)C(=O)N(C)C1=O)C1=N[N-]N=N1	REAL000000002757	1	36	-1.0	-49.60	323.66	0.62	-48.99
CCCC(NC(=O)CN1C(=O)C(=O)N(C)C1=O)C1=NNN=N1	REAL000000002757	1	37	0.0	-15.95	327.09	0.64	-15.31
CCCC(NC(=O)CCCCCNC(=O)NC1CCCCC1)C1=NN=N[N-]1	REAL000000002758	0	59	-1.0	-51.01	462.86	4.25	-46.76
CCCC(NC(=O)CCCCCNC(=O)NC1CCCCC1)C1=N[N-]N=N1	REAL000000002758	1	59	-1.0	-51.01	462.80	4.24	-46.77
CCCC(NC(=O)CCCCCNC(=O)NC1CCCCC1)C1=NNN=N1	REAL000000002758	1	60	0.0	-13.89	459.05	3.93	-9.96
CCCC(NC(=O)C1=CC=C2C(=C1)CCN2C(=O)CNC(C)=O)C1=NN=N[N-]1	REAL000000002759	0	50	-1.0	-50.79	409.52	2.94	-47.84
CCCC(NC(=O)C1=CC=C2C(=C1)CCN2C(=O)CNC(C)=O)C1=N[N-]N=N1	REAL000000002759	1	50	-1.0	-50.78	409.47	2.94	-47.85
CCCC(NC(=O)C1=CC=C2C(=C1)CCN2C(=O)CNC(C)=O)C1=NNN=N1	REAL000000002759	1	51	0.0	-13.20	405.71	2.62	-10.58
CCCC(NC(=O)C1=CC2=CC(OC)=C(OC)C=C2N1)C1=NN=N[N-]1	REAL000000002760	0	44	-1.0	-47.29	366.77	2.82	-44.48
CCCC(NC(=O)C1=CC2=CC(OC)=C(OC)C=C2N1)C1=N[N-]N=N1	REAL000000002760	1	44	-1.0	-47.29	366.71	2.81	-44.48
CCCC(NC(=O)C1=CC2=CC(OC)=C(OC)C=C2N1)C1=NNN=N1	REAL000000002760	1	45	0.0	-11.14	362.96	2.49	-8.64
CCCC(NC(=O)CC1=CC=C(Br)S1)C1=NN=N[N-]1	REAL000000002761	0	32	-1.0	-45.95	310.88	4.17	-41.78
CCCC(NC(=O)CC1=CC=C(Br)S1)C1=N[N-]N=N1	REAL000000002761	1	32	-1.0	-45.95	310.82	4.16	-41.79
CCCC(NC(=O)CC1=CC=C(Br)S1)C1=NNN=N1	REAL000000002761	1	33	0.0	-11.18	314.26	4.17	-7.01
CCCC(NC(=O)CCCN1C=CC=CC1=O)C1=NN=N[N-]1	REAL000000002762	0	41	-1.0	-54.27	345.67	4.19	-50.08
CCCC(NC(=O)CCCN1C=CC=CC1=O)C1=N[N-]N=N1	REAL000000002762	1	41	-1.0	-54.26	345.62	4.18	-50.08
CCCC(NC(=O)CCCN1C=CC=CC1=O)C1=NNN=N1	REAL000000002762	1	42	0.0	-23.29	349.06	4.20	-19.09
CCCC(NC(=O)C(C)CS(=O)(=O)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000002763	0	48	-1.0	-49.88	403.47	2.22	-47.66
CCCC(NC(=O)C(C)CS(=O)(=O)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000002763	1	48	-1.0	-49.88	403.41	2.22	-47.66
CCCC(NC(=O)C(C)CS(=O)(=O)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000002763	1	49	0.0	-15.89	406.84	2.23	-13.66
CCCC(NC(=O)C1=CC=CC(N2C=CC=N2)=C1)C1=NN=N[N-]1	REAL000000002764	0	39	-1.0	-57.24	332.74	4.84	-52.40
CCCC(NC(=O)C1=CC=CC(N2C=CC=N2)=C1)C1=N[N-]N=N1	REAL000000002764	1	39	-1.0	-57.24	332.68	4.84	-52.40
CCCC(NC(=O)C1=CC=CC(N2C=CC=N2)=C1)C1=NNN=N1	REAL000000002764	1	40	0.0	-15.34	328.91	4.53	-10.81
CCCC(NC(=O)C1=CC=C(OCCOC)C=C1)C1=NN=N[N-]1	REAL000000002765	0	43	-1.0	-49.26	359.24	3.18	-46.08
CCCC(NC(=O)C1=CC=C(OCCOC)C=C1)C1=N[N-]N=N1	REAL000000002765	1	43	-1.0	-49.25	359.18	3.17	-46.07
CCCC(NC(=O)C1=CC=C(OCCOC)C=C1)C1=NNN=N1	REAL000000002765	1	44	0.0	-13.73	362.61	3.19	-10.54
CCCC(NC(=O)C1=CN(S(=O)(=O)C2=CC=C(C)C=C2)C=C1)C1=NN=N[N-]1	REAL000000002766	0	46	-1.0	-52.75	403.28	4.44	-48.31
CCCC(NC(=O)C1=CN(S(=O)(=O)C2=CC=C(C)C=C2)C=C1)C1=N[N-]N=N1	REAL000000002766	1	46	-1.0	-52.76	403.22	4.44	-48.32
CCCC(NC(=O)C1=CN(S(=O)(=O)C2=CC=C(C)C=C2)C=C1)C1=NNN=N1	REAL000000002766	1	47	0.0	-13.34	399.46	4.12	-9.22
CCCC(NC(=O)CS(=O)(=O)C1=CC=C(C(C)=O)C(F)=C1)C1=NN=N[N-]1	REAL000000002767	0	43	-1.0	-63.64	382.98	1.83	-61.82
CCCC(NC(=O)CS(=O)(=O)C1=CC=C(C(C)=O)C(F)=C1)C1=N[N-]N=N1	REAL000000002767	1	43	-1.0	-63.64	382.92	1.82	-61.82
CCCC(NC(=O)CS(=O)(=O)C1=CC=C(C(C)=O)C(F)=C1)C1=NNN=N1	REAL000000002767	1	44	0.0	-25.22	379.91	1.54	-23.68
CCCC(NC(=O)C(C)CSC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002768	0	42	-1.0	-45.15	356.61	6.19	-38.97
CCCC(NC(=O)C(C)CSC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002768	1	42	-1.0	-45.15	356.56	6.18	-38.97
CCCC(NC(=O)C(C)CSC1=CC=CC=C1)C1=NNN=N1	REAL000000002768	1	43	0.0	-10.37	359.96	6.19	-4.18
CCCC(NC(=O)CC1=CC=CC=C1OC(F)F)C1=NN=N[N-]1	REAL000000002769	0	39	-1.0	-48.58	337.04	3.96	-44.63
CCCC(NC(=O)CC1=CC=CC=C1OC(F)F)C1=N[N-]N=N1	REAL000000002769	1	39	-1.0	-48.58	336.98	3.95	-44.63
CCCC(NC(=O)CC1=CC=CC=C1OC(F)F)C1=NNN=N1	REAL000000002769	1	40	0.0	-14.38	340.42	3.97	-10.42
CCCC(NC(=O)C1=C(Cl)C2=CC=C(C(C)C)C=C2S1)C1=NN=N[N-]1	REAL000000002770	0	44	-1.0	-46.14	386.25	7.47	-38.67
CCCC(NC(=O)C1=C(Cl)C2=CC=C(C(C)C)C=C2S1)C1=N[N-]N=N1	REAL000000002770	1	44	-1.0	-46.15	386.19	7.46	-38.69
CCCC(NC(=O)C1=C(Cl)C2=CC=C(C(C)C)C=C2S1)C1=NNN=N1	REAL000000002770	1	45	0.0	-7.55	382.43	7.15	-0.40
CCCC(NC(=O)C1CC(=O)N(C2CCC(C)CC2)C1)C1=NN=N[N-]1	REAL000000002771	0	52	-1.0	-48.37	401.26	5.29	-43.07
CCCC(NC(=O)C1CC(=O)N(C2CCC(C)CC2)C1)C1=N[N-]N=N1	REAL000000002771	1	52	-1.0	-48.37	401.20	5.30	-43.07
CCCC(NC(=O)C1CC(=O)N(C2CCC(C)CC2)C1)C1=NNN=N1	REAL000000002771	1	53	0.0	-13.25	404.63	5.30	-7.94
CCCC(NC(=O)C(CC)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002772	0	44	-1.0	-45.08	356.58	6.17	-38.91
CCCC(NC(=O)C(CC)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002772	1	44	-1.0	-45.08	356.52	6.16	-38.92
CCCC(NC(=O)C(CC)CC1=CC=CC=C1)C1=NNN=N1	REAL000000002772	1	45	0.0	-9.86	359.96	6.18	-3.68
CCCC(NC(=O)C1=CSC(C2=COC=C2)=N1)C1=NN=N[N-]1	REAL000000002773	0	35	-1.0	-47.44	324.74	2.46	-44.98
CCCC(NC(=O)C1=CSC(C2=COC=C2)=N1)C1=N[N-]N=N1	REAL000000002773	1	35	-1.0	-47.44	324.69	2.45	-44.99
CCCC(NC(=O)C1=CSC(C2=COC=C2)=N1)C1=NNN=N1	REAL000000002773	1	36	0.0	-11.08	328.12	2.47	-8.61
CCCC(NC(=O)C1=CN(C2=CC=CC=C2C)N=C1)C1=NN=N[N-]1	REAL000000002774	0	42	-1.0	-47.54	350.94	5.73	-41.81
CCCC(NC(=O)C1=CN(C2=CC=CC=C2C)N=C1)C1=N[N-]N=N1	REAL000000002774	1	42	-1.0	-47.54	350.89	5.72	-41.82
CCCC(NC(=O)C1=CN(C2=CC=CC=C2C)N=C1)C1=NNN=N1	REAL000000002774	1	43	0.0	-12.70	354.32	5.74	-6.95
CCCC(NC(=O)C1=CC=C(N2N=C(C)C=C2C)C(F)=C1)C1=NN=N[N-]1	REAL000000002775	0	45	-1.0	-52.45	381.77	6.06	-46.39
CCCC(NC(=O)C1=CC=C(N2N=C(C)C=C2C)C(F)=C1)C1=N[N-]N=N1	REAL000000002775	1	45	-1.0	-52.44	381.71	6.06	-46.39
CCCC(NC(=O)C1=CC=C(N2N=C(C)C=C2C)C(F)=C1)C1=NNN=N1	REAL000000002775	1	46	0.0	-19.25	385.16	6.06	-13.19
CCCC(NC(=O)COC1=CC(OC)=CC=C1C=O)C1=NN=N[N-]1	REAL000000002776	0	42	-1.0	-50.01	359.32	3.32	-46.68
CCCC(NC(=O)COC1=CC(OC)=CC=C1C=O)C1=N[N-]N=N1	REAL000000002776	1	42	-1.0	-50.00	359.26	3.32	-46.68
CCCC(NC(=O)COC1=CC(OC)=CC=C1C=O)C1=NNN=N1	REAL000000002776	1	43	0.0	-16.42	362.70	3.33	-13.09
CCCC(NC(=O)C1CC(C2=CC=C(OC(F)(F)F)C=C2)C1)C1=NN=N[N-]1	REAL000000002777	0	46	-1.0	-51.18	388.65	5.91	-45.27
CCCC(NC(=O)C1CC(C2=CC=C(OC(F)(F)F)C=C2)C1)C1=N[N-]N=N1	REAL000000002777	1	46	-1.0	-51.18	388.59	5.91	-45.27
CCCC(NC(=O)C1CC(C2=CC=C(OC(F)(F)F)C=C2)C1)C1=NNN=N1	REAL000000002777	1	47	0.0	-8.17	384.23	5.57	-2.60
CCCC(NC(=O)C1=C(C)N(C2=CC=C3N=CC=CC3=C2)N=N1)C1=NN=N[N-]1	REAL000000002778	0	46	-1.0	-48.40	389.39	4.21	-44.19
CCCC(NC(=O)C1=C(C)N(C2=CC=C3N=CC=CC3=C2)N=N1)C1=N[N-]N=N1	REAL000000002778	1	46	-1.0	-48.39	389.33	4.20	-44.19
CCCC(NC(=O)C1=C(C)N(C2=CC=C3N=CC=CC3=C2)N=N1)C1=NNN=N1	REAL000000002778	1	47	0.0	-13.86	392.77	4.21	-9.65
CCCC(NC(=O)C=CC1=CC=C(N2CCOCC2)C=C1)C1=NN=N[N-]1	REAL000000002779	0	49	-1.0	-47.63	392.60	3.68	-43.95
CCCC(NC(=O)C=CC1=CC=C(N2CCOCC2)C=C1)C1=N[N-]N=N1	REAL000000002779	1	49	-1.0	-47.62	392.54	3.67	-43.95
CCCC(NC(=O)C=CC1=CC=C(N2CCOCC2)C=C1)C1=NNN=N1	REAL000000002779	1	50	0.0	-12.27	395.98	3.69	-8.58
CCCC(NC(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000002780	0	49	-1.0	-49.82	390.34	5.40	-44.41
CCCC(NC(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000002780	1	49	-1.0	-49.82	390.28	5.40	-44.41
CCCC(NC(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C1=NNN=N1	REAL000000002780	1	50	0.0	-13.52	393.72	5.41	-8.11
CCCC(NC(=O)C1=CC=C(OC2=CC=C(F)C(F)=C2)C=C1)C1=NN=N[N-]1	REAL000000002781	0	43	-1.0	-44.57	375.68	6.63	-37.94
CCCC(NC(=O)C1=CC=C(OC2=CC=C(F)C(F)=C2)C=C1)C1=N[N-]N=N1	REAL000000002781	1	43	-1.0	-44.57	375.63	6.63	-37.94
CCCC(NC(=O)C1=CC=C(OC2=CC=C(F)C(F)=C2)C=C1)C1=NNN=N1	REAL000000002781	1	44	0.0	-12.04	379.06	6.64	-5.40
CCCC(NC(=O)CC1=COC(C2=CC=C(F)C=C2)=N1)C1=NN=N[N-]1	REAL000000002782	0	41	-1.0	-50.80	361.22	2.99	-47.81
CCCC(NC(=O)CC1=COC(C2=CC=C(F)C=C2)=N1)C1=N[N-]N=N1	REAL000000002782	1	41	-1.0	-50.78	361.17	2.99	-47.79
CCCC(NC(=O)CC1=COC(C2=CC=C(F)C=C2)=N1)C1=NNN=N1	REAL000000002782	1	42	0.0	-16.24	364.61	2.99	-13.25
CCCC(NC(=O)CC1=CC=C(Cl)C=C1Br)C1=NN=N[N-]1	REAL000000002783	0	35	-1.0	-42.84	333.93	5.34	-37.50
CCCC(NC(=O)CC1=CC=C(Cl)C=C1Br)C1=N[N-]N=N1	REAL000000002783	1	35	-1.0	-42.83	333.87	5.35	-37.48
CCCC(NC(=O)CC1=CC=C(Cl)C=C1Br)C1=NNN=N1	REAL000000002783	1	36	0.0	-10.34	337.30	5.35	-4.99
CCCC(NC(=O)C1=C(C)N(C2=CC=C(F)C(Cl)=C2)N=N1)C1=NN=N[N-]1	REAL000000002784	0	41	-1.0	-45.51	369.15	4.36	-41.15
CCCC(NC(=O)C1=C(C)N(C2=CC=C(F)C(Cl)=C2)N=N1)C1=N[N-]N=N1	REAL000000002784	1	41	-1.0	-45.51	369.10	4.36	-41.15
CCCC(NC(=O)C1=C(C)N(C2=CC=C(F)C(Cl)=C2)N=N1)C1=NNN=N1	REAL000000002784	1	42	0.0	-11.85	372.53	4.38	-7.47
CCCC(NC(=O)C1=CN=CC(C2=CN(C)N=C2)=C1)C1=NN=N[N-]1	REAL000000002785	0	41	-1.0	-51.42	349.67	3.17	-48.25
CCCC(NC(=O)C1=CN=CC(C2=CN(C)N=C2)=C1)C1=N[N-]N=N1	REAL000000002785	1	41	-1.0	-51.42	349.62	3.16	-48.26
CCCC(NC(=O)C1=CN=CC(C2=CN(C)N=C2)=C1)C1=NNN=N1	REAL000000002785	1	42	0.0	-15.80	353.05	3.18	-12.62
CCCC(NC(=O)C1=CC=C(N2CCC(O)CC2)C=C1)C1=NN=N[N-]1	REAL000000002786	0	48	-1.0	-48.02	378.14	1.59	-46.44
CCCC(NC(=O)C1=CC=C(N2CCC(O)CC2)C=C1)C1=N[N-]N=N1	REAL000000002786	1	48	-1.0	-48.03	378.09	1.58	-46.45
CCCC(NC(=O)C1=CC=C(N2CCC(O)CC2)C=C1)C1=NNN=N1	REAL000000002786	1	49	0.0	-13.00	381.53	1.60	-11.40
CCCC(NC(=O)CCN1C=CN=C1C(C)C)C1=NN=N[N-]1	REAL000000002787	0	44	-1.0	-44.10	362.62	4.75	-39.35
CCCC(NC(=O)CCN1C=CN=C1C(C)C)C1=N[N-]N=N1	REAL000000002787	1	44	-1.0	-44.10	362.56	4.74	-39.35
CCCC(NC(=O)C1=CC=C(C(=O)NCC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000002788	0	51	-1.0	-49.45	409.64	5.02	-44.43
CCCC(NC(=O)C1=CC=C(C(=O)NCC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000002788	1	51	-1.0	-49.43	409.58	5.02	-44.41
CCCC(NC(=O)C1=CC=C(C(=O)NCC(C)(C)C)C=C1)C1=NNN=N1	REAL000000002788	1	52	0.0	-16.35	413.02	5.03	-11.32
CCCC(NC(=O)C1=CC=CC(C2=NOC(CC(C)(C)C)=N2)=C1)C1=NN=N[N-]1	REAL000000002789	0	52	-1.0	-53.75	424.86	5.65	-48.10
CCCC(NC(=O)C1=CC=CC(C2=NOC(CC(C)(C)C)=N2)=C1)C1=N[N-]N=N1	REAL000000002789	1	52	-1.0	-53.75	424.80	5.65	-48.10
CCCC(NC(=O)C1=CC=CC(C2=NOC(CC(C)(C)C)=N2)=C1)C1=NNN=N1	REAL000000002789	1	53	0.0	-17.31	428.24	5.66	-11.65
CCCC(NC(=O)C1=CC=CC(C(=O)N(C)CC(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000002790	0	54	-1.0	-59.29	418.14	6.34	-52.95
CCCC(NC(=O)C1=CC=CC(C(=O)N(C)CC(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000002790	1	54	-1.0	-59.29	418.08	6.34	-52.95
CCCC(NC(=O)C1=CC=CC(C(=O)N(C)CC(C)(C)C)=C1)C1=NNN=N1	REAL000000002790	1	55	0.0	-21.02	421.51	6.34	-14.67
CCCC(NC(=O)C1=C(C)N=C(C2=CN(C)N=C2)S1)C1=NN=N[N-]1	REAL000000002791	0	41	-1.0	-47.75	363.05	2.96	-44.79
CCCC(NC(=O)C1=C(C)N=C(C2=CN(C)N=C2)S1)C1=N[N-]N=N1	REAL000000002791	1	41	-1.0	-47.76	362.99	2.95	-44.80
CCCC(NC(=O)C1=C(C)N=C(C2=CN(C)N=C2)S1)C1=NNN=N1	REAL000000002791	1	42	0.0	-13.04	366.43	2.97	-10.07
CCCC(NC(=O)C1=CC(I)=CN1)C1=NN=N[N-]1	REAL000000002792	0	30	-1.0	-46.15	289.70	2.54	-43.61
CCCC(NC(=O)C1=CC(I)=CN1)C1=N[N-]N=N1	REAL000000002792	1	30	-1.0	-46.15	289.64	2.54	-43.61
CCCC(NC(=O)C1=CC(I)=CN1)C1=NNN=N1	REAL000000002792	1	31	0.0	-12.20	293.08	2.55	-9.65
CCCC(NC(=O)C1CCCN(C(=O)C2=CC=NC=C2)C1)C1=NN=N[N-]1	REAL000000002793	0	48	-1.0	-49.54	385.38	3.64	-45.90
CCCC(NC(=O)C1CCCN(C(=O)C2=CC=NC=C2)C1)C1=N[N-]N=N1	REAL000000002793	1	48	-1.0	-49.55	385.32	3.64	-45.91
CCCC(NC(=O)C1CCCN(C(=O)C2=CC=NC=C2)C1)C1=NNN=N1	REAL000000002793	1	49	0.0	-13.97	390.19	3.70	-10.27
CCCC(NC(=O)CN(CC)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000002794	0	48	-1.0	-55.75	381.00	4.30	-51.45
CCCC(NC(=O)CN(CC)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000002794	1	48	-1.0	-55.74	380.95	4.31	-51.44
CCCC(NC(=O)CN(CC)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000002794	1	49	0.0	-16.25	384.36	4.31	-11.94
CCCC(NC(=O)C1=CC=C(C2=NN=C(C)O2)C=C1)C1=NN=N[N-]1	REAL000000002795	0	40	-1.0	-49.31	347.17	0.30	-49.00
CCCC(NC(=O)C1=CC=C(C2=NN=C(C)O2)C=C1)C1=N[N-]N=N1	REAL000000002795	1	40	-1.0	-49.31	347.11	0.30	-49.01
CCCC(NC(=O)C1=CC=C(C2=NN=C(C)O2)C=C1)C1=NNN=N1	REAL000000002795	1	41	0.0	-16.05	350.55	0.31	-15.73
CCCC(NC(=O)CC1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000002796	0	37	-1.0	-46.55	327.19	4.99	-41.56
CCCC(NC(=O)CC1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000002796	1	37	-1.0	-46.55	327.14	4.99	-41.57
CCCC(NC(=O)CC1=CC=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000002796	1	38	0.0	-14.22	323.41	4.67	-9.55
CCCC(NC(=O)C(C)CC1=C(C)NN=C1C)C1=NN=N[N-]1	REAL000000002797	0	44	-1.0	-45.39	352.70	3.00	-42.39
CCCC(NC(=O)C(C)CC1=C(C)NN=C1C)C1=N[N-]N=N1	REAL000000002797	1	44	-1.0	-45.40	352.65	2.99	-42.40
CCCC(NC(=O)C(C)CC1=C(C)NN=C1C)C1=NNN=N1	REAL000000002797	1	45	0.0	-12.67	356.08	3.01	-9.66
CCCC(NC(=O)C1=C(C)C2=CC(OC)=CC=C2S1)C1=NN=N[N-]1	REAL000000002798	0	42	-1.0	-46.64	357.59	4.97	-41.67
CCCC(NC(=O)C1=C(C)C2=CC(OC)=CC=C2S1)C1=N[N-]N=N1	REAL000000002798	1	42	-1.0	-46.63	357.53	4.96	-41.67
CCCC(NC(=O)C1=C(C)C2=CC(OC)=CC=C2S1)C1=NNN=N1	REAL000000002798	1	43	0.0	-10.76	360.98	4.98	-5.78
CCCC(NC(=O)C1=CC=C(C2=NNC(C)=N2)C=C1)C1=NN=N[N-]1	REAL000000002799	0	41	-1.0	-50.55	351.39	4.36	-46.18
CCCC(NC(=O)C1=CC=C(C2=NNC(C)=N2)C=C1)C1=N[N-]N=N1	REAL000000002799	1	41	-1.0	-50.54	351.33	4.36	-46.18
CCCC(NC(=O)C1=CC=C(C2=NNC(C)=N2)C=C1)C1=NNN=N1	REAL000000002799	1	42	0.0	-15.60	354.76	4.37	-11.23
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=NS1)C1=NN=N[N-]1	REAL000000002800	0	38	-1.0	-44.12	339.20	4.87	-39.26
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=NS1)C1=N[N-]N=N1	REAL000000002800	1	38	-1.0	-44.12	339.14	4.87	-39.26
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=NS1)C1=NNN=N1	REAL000000002800	1	39	0.0	-8.48	335.41	4.55	-3.93
CCCC(NC(=O)C1=CC(NC(=O)C(C)C)=CC=C1Cl)C1=NN=N[N-]1	REAL000000002801	0	45	-1.0	-50.08	382.61	4.56	-45.52
CCCC(NC(=O)C1=CC(NC(=O)C(C)C)=CC=C1Cl)C1=N[N-]N=N1	REAL000000002801	1	45	-1.0	-50.08	382.55	4.56	-45.51
CCCC(NC(=O)C1=CC(NC(=O)C(C)C)=CC=C1Cl)C1=NNN=N1	REAL000000002801	1	46	0.0	-15.57	385.99	4.57	-11.00
CCCC(NC(=O)C(=O)NCC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000002802	0	39	-1.0	-41.39	344.05	2.07	-39.32
CCCC(NC(=O)C(=O)NCC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000002802	1	39	-1.0	-41.39	343.99	2.07	-39.32
CCCC(NC(=O)C(=O)NCC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000002802	1	40	0.0	-9.54	347.43	2.08	-7.46
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL000000002803	0	41	-1.0	-44.90	352.48	2.82	-42.08
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL000000002803	1	41	-1.0	-44.90	352.42	2.82	-42.08
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC=C2)O1)C1=NNN=N1	REAL000000002803	1	42	0.0	-10.51	355.85	2.83	-7.68
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C(C(C)C)=N1)C1=NN=N[N-]1	REAL000000002804	0	47	-1.0	-59.33	398.36	6.29	-53.03
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C(C(C)C)=N1)C1=N[N-]N=N1	REAL000000002804	1	47	-1.0	-59.33	398.31	6.30	-53.04
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C(C(C)C)=N1)C1=NNN=N1	REAL000000002804	1	48	0.0	-18.91	401.68	6.31	-12.61
CCCC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=NN=N[N-]1	REAL000000002805	0	44	0.0	-69.01	363.80	4.69	-64.33
CCCC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=N[N-]N=N1	REAL000000002805	1	44	0.0	-69.02	363.74	4.68	-64.34
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)N1)C1=NN=N[N-]1	REAL000000002806	0	40	-1.0	-46.91	339.44	4.99	-41.92
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)N1)C1=N[N-]N=N1	REAL000000002806	1	40	-1.0	-46.91	339.38	4.99	-41.92
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)N1)C1=NNN=N1	REAL000000002806	1	41	0.0	-11.69	342.82	5.00	-6.69
CCCC(NC(=O)C1CC1C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL000000002807	0	39	-1.0	-46.32	331.28	5.65	-40.67
CCCC(NC(=O)C1CC1C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL000000002807	1	39	-1.0	-46.32	331.23	5.64	-40.68
CCCC(NC(=O)C1CC1C1=C(F)C=CC=C1F)C1=NNN=N1	REAL000000002807	1	40	0.0	-10.78	334.66	5.66	-5.12
CCCC(NC(=O)CCNC1=NC=C(C(F)(F)F)C=C1Cl)C1=NN=N[N-]1	REAL000000002808	0	42	-1.0	-46.20	384.13	4.20	-42.00
CCCC(NC(=O)CCNC1=NC=C(C(F)(F)F)C=C1Cl)C1=N[N-]N=N1	REAL000000002808	1	42	-1.0	-46.19	384.07	4.19	-42.00
CCCC(NC(=O)CCNC1=NC=C(C(F)(F)F)C=C1Cl)C1=NNN=N1	REAL000000002808	1	43	0.0	-12.41	387.75	4.21	-8.20
CCCC(NC(=O)C1=CC=C(C)C(OC2=CC=NC=C2)=C1)C1=NN=N[N-]1	REAL000000002809	0	45	-1.0	-50.17	379.62	5.51	-44.67
CCCC(NC(=O)C1=CC=C(C)C(OC2=CC=NC=C2)=C1)C1=N[N-]N=N1	REAL000000002809	1	45	-1.0	-50.17	379.56	5.50	-44.67
CCCC(NC(=O)C1=CC=C(C)C(OC2=CC=NC=C2)=C1)C1=NNN=N1	REAL000000002809	1	46	0.0	-14.76	382.98	5.52	-9.24
CCCC(NC(=O)C1=CC=CC(COC2=CC=C(C#N)C=C2)=C1)C1=NN=N[N-]1	REAL000000002810	0	47	-1.0	-51.77	406.45	7.33	-44.44
CCCC(NC(=O)C1=CC=CC(COC2=CC=C(C#N)C=C2)=C1)C1=N[N-]N=N1	REAL000000002810	1	47	-1.0	-51.78	406.39	7.32	-44.45
CCCC(NC(=O)C1=CC=CC(COC2=CC=C(C#N)C=C2)=C1)C1=NNN=N1	REAL000000002810	1	48	0.0	-15.89	409.83	7.33	-8.55
CCCC(NC(=O)CC(C)C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL000000002811	0	41	-1.0	-44.36	340.23	5.63	-38.74
CCCC(NC(=O)CC(C)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL000000002811	1	41	-1.0	-44.36	340.17	5.62	-38.74
CCCC(NC(=O)CC(C)C1=CC=CC(F)=C1)C1=NNN=N1	REAL000000002811	1	42	0.0	-8.58	336.41	5.31	-3.27
CCCC(NC(=O)C(CC)CC1CCCCC1)C1=NN=N[N-]1	REAL000000002812	0	50	-1.0	-47.20	374.61	6.57	-40.63
CCCC(NC(=O)C(CC)CC1CCCCC1)C1=N[N-]N=N1	REAL000000002812	1	50	-1.0	-47.20	374.55	6.57	-40.63
CCCC(NC(=O)C(CC)CC1CCCCC1)C1=NNN=N1	REAL000000002812	1	51	0.0	-8.97	377.98	6.58	-2.39
CCCC(NC(=O)C(CC)CC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL000000002813	0	44	-1.0	-43.32	372.20	6.97	-36.35
CCCC(NC(=O)C(CC)CC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL000000002813	1	44	-1.0	-43.32	372.14	6.96	-36.36
CCCC(NC(=O)C(CC)CC1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000002813	1	45	0.0	-5.89	368.36	6.64	0.75
CCCC(NC(=O)C1=CC=C(OC2=CC=C(CC#N)C=C2)C=C1)C1=NN=N[N-]1	REAL000000002814	0	47	-1.0	-52.75	405.23	7.66	-45.09
CCCC(NC(=O)C1=CC=C(OC2=CC=C(CC#N)C=C2)C=C1)C1=N[N-]N=N1	REAL000000002814	1	47	-1.0	-52.75	405.17	7.66	-45.09
CCCC(NC(=O)C1=CC=C(OC2=CC=C(CC#N)C=C2)C=C1)C1=NNN=N1	REAL000000002814	1	48	0.0	-18.09	408.65	7.67	-10.42
CCCC(NC(=O)C=CC1=CSC(Br)=C1)C1=NN=N[N-]1	REAL000000002815	0	33	-1.0	-45.34	320.64	4.53	-40.81
CCCC(NC(=O)C=CC1=CSC(Br)=C1)C1=N[N-]N=N1	REAL000000002815	1	33	-1.0	-45.33	320.58	4.52	-40.81
CCCC(NC(=O)C=CC1=CSC(Br)=C1)C1=NNN=N1	REAL000000002815	1	34	0.0	-7.56	316.77	4.20	-3.36
CCCC(NC(=O)C1=CC(Cl)=NC(N2CCCC2)=C1)C1=NN=N[N-]1	REAL000000002816	0	43	-1.0	-42.38	365.48	4.01	-38.37
CCCC(NC(=O)C1=CC(Cl)=NC(N2CCCC2)=C1)C1=N[N-]N=N1	REAL000000002816	1	43	-1.0	-42.38	365.43	4.00	-38.38
CCCC(NC(=O)C1=CC(Cl)=NC(N2CCCC2)=C1)C1=NNN=N1	REAL000000002816	1	44	0.0	-7.43	361.67	3.69	-3.74
CCCC(NC(=O)CC(C)C1=CC=CC=C1C)C1=NN=N[N-]1	REAL000000002817	0	44	-1.0	-45.08	351.25	6.11	-38.98
CCCC(NC(=O)CC(C)C1=CC=CC=C1C)C1=N[N-]N=N1	REAL000000002817	1	44	-1.0	-45.08	351.19	6.10	-38.98
CCCC(NC(=O)CC(C)C1=CC=CC=C1C)C1=NNN=N1	REAL000000002817	1	45	0.0	-9.68	354.69	6.11	-3.57
CCCC(NC(=O)C1=CSC(C2=CC=C(O)C=C2)=N1)C1=NN=N[N-]1	REAL000000002818	0	39	-1.0	-48.31	352.61	1.60	-46.71
CCCC(NC(=O)C1=CSC(C2=CC=C(O)C=C2)=N1)C1=N[N-]N=N1	REAL000000002818	1	39	-1.0	-48.32	352.55	1.60	-46.72
CCCC(NC(=O)C1=CSC(C2=CC=C(O)C=C2)=N1)C1=NNN=N1	REAL000000002818	1	40	0.0	-11.59	355.98	1.61	-9.98
CCCC(NC(=O)C1=C(C)OC(C2=CC=C(OC)C=C2)=N1)C1=NN=N[N-]1	REAL000000002819	0	45	-1.0	-45.79	383.51	2.26	-43.53
CCCC(NC(=O)C1=C(C)OC(C2=CC=C(OC)C=C2)=N1)C1=N[N-]N=N1	REAL000000002819	1	45	-1.0	-45.79	383.45	2.25	-43.54
CCCC(NC(=O)C1=C(C)OC(C2=CC=C(OC)C=C2)=N1)C1=NNN=N1	REAL000000002819	1	46	0.0	-10.54	386.89	2.27	-8.28
CCCC(NC(=O)CCNC(=O)C1=NC=CC=C1O)C1=NN=N[N-]1	REAL000000002820	0	42	-1.0	-56.50	361.52	-0.39	-56.89
CCCC(NC(=O)CCNC(=O)C1=NC=CC=C1[O-])C1=NN=N[N-]1	REAL000000002820	1	41	-2.0	-110.07	357.95	0.61	-109.47
CCCC(NC(=O)CCNC(=O)C1=NC=CC=C1O)C1=N[N-]N=N1	REAL000000002820	1	42	-1.0	-56.49	361.46	-0.40	-56.89
CCCC(NC(=O)C1=CC=C(C2=CC=C(F)C=C2C)C(F)=C1)C1=NN=N[N-]1	REAL000000002821	0	45	-1.0	-43.94	383.00	7.84	-36.10
CCCC(NC(=O)C1=CC=C(C2=CC=C(F)C=C2C)C(F)=C1)C1=N[N-]N=N1	REAL000000002821	1	45	-1.0	-43.94	382.94	7.84	-36.10
CCCC(NC(=O)C1=CC=C(C2=CC=C(F)C=C2C)C(F)=C1)C1=NNN=N1	REAL000000002821	1	46	0.0	-10.54	386.30	7.85	-2.69
CCCC(NC(=O)C(=O)C1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000002822	0	34	-1.0	-39.34	316.17	4.09	-35.25
CCCC(NC(=O)C(=O)C1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000002822	1	34	-1.0	-39.34	316.12	4.09	-35.25
CCCC(NC(=O)C(=O)C1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000002822	1	35	0.0	-6.93	319.55	4.10	-2.83
CCCC(NC(=O)C1=CC=CC(OC2=CC=NC=C2)=C1)C1=NN=N[N-]1	REAL000000002823	0	42	-1.0	-50.23	358.10	4.73	-45.49
CCCC(NC(=O)C1=CC=CC(OC2=CC=NC=C2)=C1)C1=N[N-]N=N1	REAL000000002823	1	42	-1.0	-50.23	358.04	4.72	-45.50
CCCC(NC(=O)C1=CC=CC(OC2=CC=NC=C2)=C1)C1=NNN=N1	REAL000000002823	1	43	0.0	-15.16	361.48	4.74	-10.42
CCCC(NC(=O)C1CSC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000002824	0	37	-1.0	-50.09	321.04	5.17	-44.92
CCCC(NC(=O)C1CSC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000002824	1	37	-1.0	-50.09	320.98	5.17	-44.92
CCCC(NC(=O)C1CSC2=CC=CC=C21)C1=NNN=N1	REAL000000002824	1	38	0.0	-11.51	321.60	5.08	-6.43
CCCC(NC(=O)C1CCS(=O)(=O)CC1)C1=NN=N[N-]1	REAL000000002825	0	38	-1.0	-54.95	318.32	-0.02	-54.97
CCCC(NC(=O)C1CCS(=O)(=O)CC1)C1=N[N-]N=N1	REAL000000002825	1	38	-1.0	-54.95	318.26	-0.03	-54.97
CCCC(NC(=O)C1CCS(=O)(=O)CC1)C1=NNN=N1	REAL000000002825	1	39	0.0	-17.34	314.50	-0.34	-17.67
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)O1)C1=NN=N[N-]1	REAL000000002826	0	35	-1.0	-49.83	321.87	-0.74	-50.56
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)O1)C1=N[N-]N=N1	REAL000000002826	1	35	-1.0	-49.83	321.81	-0.75	-50.58
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)O1)C1=NNN=N1	REAL000000002826	1	36	0.0	-16.84	325.25	-0.74	-17.58
CCCC(NC(=O)C1=CC2=C(C)C(C)=CC=C2N1)C1=NN=N[N-]1	REAL000000002827	0	42	-1.0	-46.35	346.42	4.78	-41.57
CCCC(NC(=O)C1=CC2=C(C)C(C)=CC=C2N1)C1=N[N-]N=N1	REAL000000002827	1	42	-1.0	-46.35	346.37	4.78	-41.57
CCCC(NC(=O)C1=CC2=C(C)C(C)=CC=C2N1)C1=NNN=N1	REAL000000002827	1	43	0.0	-8.55	341.94	4.43	-4.12
CCCC(NC(=O)C1=CC2=C(C)C=C(F)C=C2N1)C1=NN=N[N-]1	REAL000000002828	0	39	-1.0	-43.77	335.30	4.29	-39.48
CCCC(NC(=O)C1=CC2=C(C)C=C(F)C=C2N1)C1=N[N-]N=N1	REAL000000002828	1	39	-1.0	-43.76	335.24	4.28	-39.48
CCCC(NC(=O)C1=CC2=C(C)C=C(F)C=C2N1)C1=NNN=N1	REAL000000002828	1	40	0.0	-7.85	331.46	3.96	-3.89
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2C#N)=C1)C1=NN=N[N-]1	REAL000000002829	0	44	-1.0	-52.82	401.48	7.46	-45.37
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2C#N)=C1)C1=N[N-]N=N1	REAL000000002829	1	44	-1.0	-52.83	401.43	7.45	-45.38
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2C#N)=C1)C1=NNN=N1	REAL000000002829	1	45	0.0	-17.58	404.88	7.46	-10.12
CCCC(NC(=O)C1=CC=CC(OC2=CC=CC(Cl)=C2C#N)=C1)C1=NN=N[N-]1	REAL000000002830	0	44	-1.0	-55.80	400.16	7.36	-48.44
CCCC(NC(=O)C1=CC=CC(OC2=CC=CC(Cl)=C2C#N)=C1)C1=N[N-]N=N1	REAL000000002830	1	44	-1.0	-55.81	400.10	7.36	-48.45
CCCC(NC(=O)C1=CC=CC(OC2=CC=CC(Cl)=C2C#N)=C1)C1=NNN=N1	REAL000000002830	1	45	0.0	-20.43	403.55	7.37	-13.05
CCCC(NC(=O)C1=CC=CC(COC2=CC=C(C)N=C2)=C1)C1=NN=N[N-]1	REAL000000002831	0	48	-1.0	-51.72	402.12	5.74	-45.97
CCCC(NC(=O)C1=CC=CC(COC2=CC=C(C)N=C2)=C1)C1=N[N-]N=N1	REAL000000002831	1	48	-1.0	-51.71	402.06	5.73	-45.98
CCCC(NC(=O)C1=CC=CC(COC2=CC=C(C)N=C2)=C1)C1=NNN=N1	REAL000000002831	1	49	0.0	-15.26	405.49	5.74	-9.51
CCCC(NC(=O)C1=CC=C2C(=C1)N=C(C(F)(F)F)N2C(C)C)C1=NN=N[N-]1	REAL000000002832	0	47	-1.0	-50.79	395.36	6.29	-44.51
CCCC(NC(=O)C1=CC=C2C(=C1)N=C(C(F)(F)F)N2C(C)C)C1=N[N-]N=N1	REAL000000002832	1	47	-1.0	-50.79	395.30	6.28	-44.52
CCCC(NC(=O)C1=CC=C2C(=C1)N=C(C(F)(F)F)N2C(C)C)C1=NNN=N1	REAL000000002832	1	48	0.0	-12.34	391.54	5.96	-6.38
CCCC(NC(=O)C1=CC=C(OC2=CC=NC=C2)C(Cl)=C1)C1=NN=N[N-]1	REAL000000002833	0	42	-1.0	-44.01	374.83	5.31	-38.70
CCCC(NC(=O)C1=CC=C(OC2=CC=NC=C2)C(Cl)=C1)C1=N[N-]N=N1	REAL000000002833	1	42	-1.0	-44.01	374.77	5.30	-38.71
CCCC(NC(=O)C1=CC=C(OC2=CC=NC=C2)C(Cl)=C1)C1=NNN=N1	REAL000000002833	1	43	0.0	-11.43	377.25	5.27	-6.16
CCCC(NC(=O)C1=CC(=O)C2=CC(Br)=CC=C2N1)C1=NN=N[N-]1	REAL000000002834	0	38	-1.0	-42.98	346.28	4.08	-38.90
CCCC(NC(=O)C1=CC(=O)C2=CC(Br)=CC=C2N1)C1=N[N-]N=N1	REAL000000002834	1	38	-1.0	-42.98	346.23	4.08	-38.90
CCCC(NC(=O)C1=CC(=O)C2=CC(Br)=CC=C2N1)C1=NNN=N1	REAL000000002834	1	39	0.0	-13.04	349.66	4.09	-8.95
CCCC(NC(=O)C1=CC=CC(COC2=CC=CC(F)=C2)=C1)C1=NN=N[N-]1	REAL000000002835	0	46	-1.0	-52.00	392.04	6.99	-45.01
CCCC(NC(=O)C1=CC=CC(COC2=CC=CC(F)=C2)=C1)C1=N[N-]N=N1	REAL000000002835	1	46	-1.0	-51.99	391.98	6.99	-45.01
CCCC(NC(=O)C1=CC=CC(COC2=CC=CC(F)=C2)=C1)C1=NNN=N1	REAL000000002835	1	47	0.0	-14.49	395.42	7.00	-7.49
CCCC(NC(=O)CC1=CC=C(OCC#N)C=C1)C1=NN=N[N-]1	REAL000000002836	0	40	-1.0	-51.96	349.70	4.33	-47.62
CCCC(NC(=O)CC1=CC=C(OCC#N)C=C1)C1=N[N-]N=N1	REAL000000002836	1	40	-1.0	-51.95	349.64	4.32	-47.63
CCCC(NC(=O)CC1=CC=C(OCC#N)C=C1)C1=NNN=N1	REAL000000002836	1	41	0.0	-16.77	353.08	4.34	-12.43
CCCC(NC(=O)CN1C(=O)CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000002837	0	43	-1.0	-56.50	354.13	5.01	-51.49
CCCC(NC(=O)CN1C(=O)CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000002837	1	43	-1.0	-56.49	354.08	5.01	-51.49
CCCC(NC(=O)CN1C(=O)CCC2=CC=CC=C21)C1=NNN=N1	REAL000000002837	1	44	0.0	-17.24	357.51	5.03	-12.21
CCCC(NC(=O)C1CC1C1=C2C=CC=CC2=CC=C1)C1=NN=N[N-]1	REAL000000002838	0	45	-1.0	-50.59	369.48	7.77	-42.83
CCCC(NC(=O)C1CC1C1=C2C=CC=CC2=CC=C1)C1=N[N-]N=N1	REAL000000002838	1	45	-1.0	-50.59	369.42	7.77	-42.82
CCCC(NC(=O)C1CC1C1=C2C=CC=CC2=CC=C1)C1=NNN=N1	REAL000000002838	1	46	0.0	-9.22	357.70	7.38	-1.85
CCCC(NC(=O)CCCCOC1=CC=CC(C#N)=C1)C1=NN=N[N-]1	REAL000000002839	0	46	-1.0	-47.38	392.69	5.91	-41.47
CCCC(NC(=O)CCCCOC1=CC=CC(C#N)=C1)C1=N[N-]N=N1	REAL000000002839	1	46	-1.0	-47.37	392.63	5.90	-41.47
CCCC(NC(=O)CCCCOC1=CC=CC(C#N)=C1)C1=NNN=N1	REAL000000002839	1	47	0.0	-14.08	396.06	5.92	-8.15
CCCC(NC(=O)C(C)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000002840	0	42	-1.0	-46.58	344.40	4.18	-42.40
CCCC(NC(=O)C(C)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000002840	1	42	-1.0	-46.57	344.34	4.18	-42.39
CCCC(NC(=O)C(C)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000002840	1	43	0.0	-12.42	347.77	4.19	-8.23
CCCC(NC(=O)C(CC)SC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002841	0	42	-1.0	-45.58	355.87	5.95	-39.63
CCCC(NC(=O)C(CC)SC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002841	1	42	-1.0	-45.59	355.82	5.95	-39.64
CCCC(NC(=O)C(CC)SC1=CC=CC=C1)C1=NNN=N1	REAL000000002841	1	43	0.0	-11.14	359.25	5.96	-5.18
CCCC(NC(=O)CC1=CC=CC=C1NS(C)(=O)=O)C1=NN=N[N-]1	REAL000000002842	0	43	-1.0	-47.00	368.85	1.13	-45.86
CCCC(NC(=O)CC1=CC=CC=C1NS(C)(=O)=O)C1=N[N-]N=N1	REAL000000002842	1	43	-1.0	-46.99	368.79	1.12	-45.87
CCCC(NC(=O)CC1=CC=CC=C1NS(C)(=O)=O)C1=NNN=N1	REAL000000002842	1	44	0.0	-13.42	358.02	0.56	-12.86
CCCC(NC(=O)CC1=NOC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000002843	0	41	-1.0	-56.10	353.19	5.44	-50.66
CCCC(NC(=O)CC1=NOC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000002843	1	41	-1.0	-56.10	353.13	5.43	-50.67
CCCC(NC(=O)CC1=NOC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000002843	1	42	0.0	-13.89	349.40	5.11	-8.78
CCCC(NC(=O)C1=CSC(I)=C1)C1=NN=N[N-]1	REAL000000002844	0	29	-1.0	-45.09	293.89	3.78	-41.32
CCCC(NC(=O)C1=CSC(I)=C1)C1=N[N-]N=N1	REAL000000002844	1	29	-1.0	-45.09	293.84	3.77	-41.32
CCCC(NC(=O)C1=CSC(I)=C1)C1=NNN=N1	REAL000000002844	1	30	0.0	-7.27	290.07	3.45	-3.82
CCCC(NC(=O)C1CC12CCOC1=CC=CC=C12)C1=NN=N[N-]1	REAL000000002845	0	44	-1.0	-47.73	353.83	5.37	-42.37
CCCC(NC(=O)C1CC12CCOC1=CC=CC=C12)C1=N[N-]N=N1	REAL000000002845	1	44	-1.0	-47.73	353.77	5.36	-42.38
CCCC(NC(=O)C1CC12CCOC1=CC=CC=C12)C1=NNN=N1	REAL000000002845	1	45	0.0	-8.71	350.02	5.05	-3.66
CCCC(NC(=O)CN(CC1=CC=CO1)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000002846	0	47	-1.0	-49.60	406.47	7.04	-42.57
CCCC(NC(=O)CN(CC1=CC=CO1)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000002846	1	47	-1.0	-49.60	406.41	7.03	-42.57
CCCC(NC(=O)CN(CC1=CC=CO1)C1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000002846	1	48	0.0	-12.87	409.84	7.05	-5.83
CCCC(NC(=O)C1=CN(C2CCCCC2)N=C1)C1=NN=N[N-]1	REAL000000002847	0	45	-1.0	-46.05	361.18	4.64	-41.41
CCCC(NC(=O)C1=CN(C2CCCCC2)N=C1)C1=N[N-]N=N1	REAL000000002847	1	45	-1.0	-46.05	361.13	4.63	-41.42
CCCC(NC(=O)C1=CN(C2CCCCC2)N=C1)C1=NNN=N1	REAL000000002847	1	46	0.0	-11.13	364.56	4.65	-6.48
CCCC(NC(=O)C1=CC=CC(C(=O)NC)=C1)C1=NN=N[N-]1	REAL000000002848	0	39	-1.0	-58.98	330.79	1.94	-57.04
CCCC(NC(=O)C1=CC=CC(C(=O)NC)=C1)C1=N[N-]N=N1	REAL000000002848	1	39	-1.0	-58.98	330.73	1.93	-57.05
CCCC(NC(=O)C1=CC=CC(C(=O)NC)=C1)C1=NNN=N1	REAL000000002848	1	40	0.0	-21.75	334.16	1.95	-19.80
CCCC(NC(=O)COC1=C(C)C=CC=C1Cl)C1=NN=N[N-]1	REAL000000002849	0	39	-1.0	-51.12	347.94	5.60	-45.52
CCCC(NC(=O)COC1=C(C)C=CC=C1Cl)C1=N[N-]N=N1	REAL000000002849	1	39	-1.0	-51.12	347.88	5.59	-45.53
CCCC(NC(=O)COC1=C(C)C=CC=C1Cl)C1=NNN=N1	REAL000000002849	1	40	0.0	-13.26	351.32	5.61	-7.66
CCCC(NC(=O)CCN1C(=O)SC(C)=C1C)C1=NN=N[N-]1	REAL000000002850	0	41	-1.0	-45.68	351.09	3.52	-42.15
CCCC(NC(=O)CCN1C(=O)SC(C)=C1C)C1=N[N-]N=N1	REAL000000002850	1	41	-1.0	-45.67	351.03	3.53	-42.15
CCCC(NC(=O)CCN1C(=O)SC(C)=C1C)C1=NNN=N1	REAL000000002850	1	42	0.0	-14.27	354.47	3.53	-10.74
CCCC(NC(=O)C1CC1C1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000002851	0	39	-1.0	-43.49	360.37	6.69	-36.79
CCCC(NC(=O)C1CC1C1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000002851	1	39	-1.0	-43.49	360.31	6.70	-36.80
CCCC(NC(=O)C1CC1C1=CC(Cl)=CC(Cl)=C1)C1=NNN=N1	REAL000000002851	1	40	0.0	-7.15	356.56	6.38	-0.76
CCCC(NC(=O)C1=CC(NC(=O)CC(C)(C)C)=CC=C1Cl)C1=NN=N[N-]1	REAL000000002852	0	51	-1.0	-49.80	416.44	5.78	-44.02
CCCC(NC(=O)C1=CC(NC(=O)CC(C)(C)C)=CC=C1Cl)C1=N[N-]N=N1	REAL000000002852	1	51	-1.0	-49.80	416.38	5.77	-44.03
CCCC(NC(=O)C1=CC(NC(=O)CC(C)(C)C)=CC=C1Cl)C1=NNN=N1	REAL000000002852	1	52	0.0	-14.99	419.82	5.79	-9.20
CCCC(NC(=O)C1=CC(NC(=O)CC(C)C)=CC=C1Cl)C1=NN=N[N-]1	REAL000000002853	0	48	-1.0	-50.32	401.47	5.26	-45.05
CCCC(NC(=O)C1=CC(NC(=O)CC(C)C)=CC=C1Cl)C1=N[N-]N=N1	REAL000000002853	1	48	-1.0	-50.31	401.41	5.25	-45.06
CCCC(NC(=O)C1=CC(NC(=O)CC(C)C)=CC=C1Cl)C1=NNN=N1	REAL000000002853	1	49	0.0	-15.62	404.85	5.27	-10.35
CCCC(NC(=O)C1=CC=CC(COC2=CC=CC(C#N)=C2)=C1)C1=NN=N[N-]1	REAL000000002854	0	47	-1.0	-53.78	406.47	7.32	-46.47
CCCC(NC(=O)C1=CC=CC(COC2=CC=CC(C#N)=C2)=C1)C1=N[N-]N=N1	REAL000000002854	1	47	-1.0	-53.78	406.41	7.32	-46.46
CCCC(NC(=O)C1=CC=CC(COC2=CC=CC(C#N)=C2)=C1)C1=NNN=N1	REAL000000002854	1	48	0.0	-16.38	409.86	7.33	-9.06
CCCC(NC(=O)CCC1=CC(Cl)=CS1)C1=NN=N[N-]1	REAL000000002855	0	35	-1.0	-43.19	327.48	4.74	-38.45
CCCC(NC(=O)CCC1=CC(Cl)=CS1)C1=N[N-]N=N1	REAL000000002855	1	35	-1.0	-43.18	327.43	4.73	-38.45
CCCC(NC(=O)CCC1=CC(Cl)=CS1)C1=NNN=N1	REAL000000002855	1	36	0.0	-9.62	330.86	4.75	-4.87
CCCC(NC(=O)C1=CC=C(CN(C)C(=O)C(C)C)C=C1)C1=NN=N[N-]1	REAL000000002856	0	51	-1.0	-55.10	408.31	5.97	-49.13
CCCC(NC(=O)C1=CC=C(CN(C)C(=O)C(C)C)C=C1)C1=N[N-]N=N1	REAL000000002856	1	51	-1.0	-55.10	408.25	5.96	-49.14
CCCC(NC(=O)C1=CC=C(CN(C)C(=O)C(C)C)C=C1)C1=NNN=N1	REAL000000002856	1	52	0.0	-14.72	405.64	5.70	-9.02
CCCC(NC(=O)C1=CC=CC(OCC=C(C)C)=C1)C1=NN=N[N-]1	REAL000000002857	0	46	-1.0	-50.15	378.02	5.92	-44.22
CCCC(NC(=O)C1=CC=CC(OCC=C(C)C)=C1)C1=N[N-]N=N1	REAL000000002857	1	46	-1.0	-50.15	377.96	5.91	-44.24
CCCC(NC(=O)C1=CC=CC(OCC=C(C)C)=C1)C1=NNN=N1	REAL000000002857	1	47	0.0	-13.80	381.17	5.93	-7.88
CCCC(NC(=O)C1=CC=CC(OC2=NC=CS2)=C1)C1=NN=N[N-]1	REAL000000002858	0	39	-1.0	-50.98	349.55	2.39	-48.60
CCCC(NC(=O)C1=CC=CC(OC2=NC=CS2)=C1)C1=N[N-]N=N1	REAL000000002858	1	39	-1.0	-50.98	349.50	2.38	-48.60
CCCC(NC(=O)C1=CC=CC(OC2=NC=CS2)=C1)C1=NNN=N1	REAL000000002858	1	40	0.0	-17.08	352.90	2.39	-14.68
CCCC(NC(=O)C1=CC=CC(OC2=CN=CC=N2)=C1)C1=NN=N[N-]1	REAL000000002859	0	41	-1.0	-51.61	355.61	2.13	-49.47
CCCC(NC(=O)C1=CC=CC(OC2=CN=CC=N2)=C1)C1=N[N-]N=N1	REAL000000002859	1	41	-1.0	-51.60	355.55	2.12	-49.48
CCCC(NC(=O)C1=CC=CC(OC2=CN=CC=N2)=C1)C1=NNN=N1	REAL000000002859	1	42	0.0	-12.74	351.94	1.81	-10.93
CCCC(NC(=O)CC1=CNC2=CC=C(F)C=C12)C1=NN=N[N-]1	REAL000000002860	0	39	-1.0	-48.10	337.39	4.45	-43.65
CCCC(NC(=O)CC1=CNC2=CC=C(F)C=C12)C1=N[N-]N=N1	REAL000000002860	1	39	-1.0	-48.09	337.33	4.45	-43.64
CCCC(NC(=O)CC1=CNC2=CC=C(F)C=C12)C1=NNN=N1	REAL000000002860	1	40	0.0	-16.17	340.76	4.46	-11.72
CCCC(NC(=O)C1=CC=CC(COC2=CC=CC=C2C#N)=C1)C1=NN=N[N-]1	REAL000000002861	0	47	-1.0	-58.37	405.83	7.35	-51.01
CCCC(NC(=O)C1=CC=CC(COC2=CC=CC=C2C#N)=C1)C1=N[N-]N=N1	REAL000000002861	1	47	-1.0	-58.36	405.77	7.35	-51.01
CCCC(NC(=O)C1=CC=CC(COC2=CC=CC=C2C#N)=C1)C1=NNN=N1	REAL000000002861	1	48	0.0	-18.51	409.24	7.36	-11.14
CCCC(NC(=O)C(C)OC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL000000002862	0	39	-1.0	-49.60	346.62	5.42	-44.18
CCCC(NC(=O)C(C)OC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL000000002862	1	39	-1.0	-49.60	346.56	5.41	-44.18
CCCC(NC(=O)C(C)OC1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000002862	1	40	0.0	-14.86	350.00	5.42	-9.44
CCCC(NC(=O)CCN1C(=O)CCC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL000000002863	0	46	-1.0	-51.55	381.59	5.54	-46.00
CCCC(NC(=O)CCN1C(=O)CCC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL000000002863	1	46	-1.0	-51.54	381.53	5.54	-46.00
CCCC(NC(=O)CCN1C(=O)CCC2=CC(F)=CC=C21)C1=NNN=N1	REAL000000002863	1	47	0.0	-15.20	383.51	5.47	-9.73
CCCC(NC(=O)C1=CNC(Br)=C1)C1=NN=N[N-]1	REAL000000002864	0	30	-1.0	-45.31	283.55	1.99	-43.31
CCCC(NC(=O)C1=CNC(Br)=C1)C1=N[N-]N=N1	REAL000000002864	1	30	-1.0	-45.31	283.49	1.99	-43.32
CCCC(NC(=O)C1=CNC(Br)=C1)C1=NNN=N1	REAL000000002864	1	31	0.0	-10.06	286.93	2.01	-8.05
CCCC(NC(=O)C1=CC=C(OCC2=NOC(CC)=N2)C=C1)C1=NN=N[N-]1	REAL000000002865	0	47	-1.0	-51.10	398.58	3.22	-47.87
CCCC(NC(=O)C1=CC=C(OCC2=NOC(CC)=N2)C=C1)C1=N[N-]N=N1	REAL000000002865	1	47	-1.0	-51.09	398.53	3.23	-47.87
CCCC(NC(=O)C1=CC=C(OCC2=NOC(CC)=N2)C=C1)C1=NNN=N1	REAL000000002865	1	48	0.0	-16.26	401.96	3.23	-13.03
CCCC(NC(=O)CCC1=NN=C(C2=CC=C(Cl)C=C2)O1)C1=NN=N[N-]1	REAL000000002866	0	43	-1.0	-44.72	388.64	1.60	-43.12
CCCC(NC(=O)CCC1=NN=C(C2=CC=C(Cl)C=C2)O1)C1=N[N-]N=N1	REAL000000002866	1	43	-1.0	-44.72	388.58	1.61	-43.11
CCCC(NC(=O)CCC1=NN=C(C2=CC=C(Cl)C=C2)O1)C1=NNN=N1	REAL000000002866	1	44	0.0	-13.28	392.01	1.61	-11.67
CCCC(NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C1=NN=N[N-]1	REAL000000002867	0	49	-1.0	-51.91	418.65	-2.25	-54.16
CCCC(NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C1=N[N-]N=N1	REAL000000002867	1	49	-1.0	-51.90	418.59	-2.25	-54.15
CCCC(NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C1=NNN=N1	REAL000000002867	1	50	0.0	-19.59	414.86	-2.57	-22.16
CCCC(NC(=O)CC1OCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000002868	0	43	-1.0	-50.09	347.51	5.24	-44.85
CCCC(NC(=O)CC1OCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000002868	1	43	-1.0	-50.09	347.45	5.23	-44.85
CCCC(NC(=O)CC1OCCC2=CC=CC=C21)C1=NNN=N1	REAL000000002868	1	44	0.0	-13.01	350.87	5.25	-7.76
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)CCN2C)C1=NN=N[N-]1	REAL000000002869	0	45	-1.0	-48.83	359.19	1.61	-47.22
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)CCN2C)C1=N[N-]N=N1	REAL000000002869	1	45	-1.0	-48.83	359.13	1.61	-47.22
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)CCN2C)C1=NNN=N1	REAL000000002869	1	46	0.0	-14.85	362.56	1.61	-13.23
CCCC(NC(=O)C1=CC=C(SC2=CC=CC=C2Cl)N=N1)C1=NN=N[N-]1	REAL000000002870	0	41	-1.0	-46.11	384.15	5.44	-40.67
CCCC(NC(=O)C1=CC=C(SC2=CC=CC=C2Cl)N=N1)C1=N[N-]N=N1	REAL000000002870	1	41	-1.0	-46.11	384.09	5.43	-40.68
CCCC(NC(=O)C1=CC=C(SC2=CC=CC=C2Cl)N=N1)C1=NNN=N1	REAL000000002870	1	42	0.0	-10.11	380.35	5.11	-5.01
CCCC(NC(=O)C1=CC(N2CCNC2=O)=CC=C1Cl)C1=NN=N[N-]1	REAL000000002871	0	42	-1.0	-51.54	359.31	2.90	-48.64
CCCC(NC(=O)C1=CC(N2CCNC2=O)=CC=C1Cl)C1=N[N-]N=N1	REAL000000002871	1	42	-1.0	-51.53	359.25	2.90	-48.63
CCCC(NC(=O)C1=CC(N2CCNC2=O)=CC=C1Cl)C1=NNN=N1	REAL000000002871	1	43	0.0	-18.65	362.69	2.91	-15.74
CCCC(NC(=O)CC(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002872	0	51	-1.0	-48.19	412.06	9.07	-39.12
CCCC(NC(=O)CC(CC1=CC=CC=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002872	1	51	-1.0	-48.18	412.00	9.07	-39.12
CCCC(NC(=O)CC(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NNN=N1	REAL000000002872	1	52	0.0	-9.57	408.26	8.76	-0.81
CCCC(NC(=O)C1=CC=C(F)C(COCCOC)=C1)C1=NN=N[N-]1	REAL000000002873	0	46	-1.0	-50.05	388.58	3.84	-46.21
CCCC(NC(=O)C1=CC=C(F)C(COCCOC)=C1)C1=N[N-]N=N1	REAL000000002873	1	46	-1.0	-50.05	388.52	3.84	-46.21
CCCC(NC(=O)C1=CC=C(F)C(COCCOC)=C1)C1=NNN=N1	REAL000000002873	1	47	0.0	-14.59	391.95	3.85	-10.74
CCCC(NC(=O)C(C)NS(=O)(=O)C1=C(C)N(C)N=C1C)C1=NN=N[N-]1	REAL000000002874	0	49	-1.0	-49.74	406.11	-0.39	-50.13
CCCC(NC(=O)C(C)NS(=O)(=O)C1=C(C)N(C)N=C1C)C1=N[N-]N=N1	REAL000000002874	1	49	-1.0	-49.73	406.05	-0.39	-50.13
CCCC(NC(=O)C(C)NS(=O)(=O)C1=C(C)N(C)N=C1C)C1=NNN=N1	REAL000000002874	1	50	0.0	-17.51	409.49	-0.38	-17.89
CCCC(NC(=O)C1=CC=CC(N2C=CC=N2)=N1)C1=NN=N[N-]1	REAL000000002875	0	38	-1.0	-46.78	332.27	4.19	-42.60
CCCC(NC(=O)C1=CC=CC(N2C=CC=N2)=N1)C1=N[N-]N=N1	REAL000000002875	1	38	-1.0	-46.79	332.21	4.19	-42.60
CCCC(NC(=O)C1=CC=CC(N2C=CC=N2)=N1)C1=NNN=N1	REAL000000002875	1	39	0.0	-11.72	335.64	4.19	-7.53
CCCC(NC(=O)C1=CC=CC(NC2=CC=C(C)N=N2)=C1)C1=NN=N[N-]1	REAL000000002876	0	45	-1.0	-51.56	375.86	4.60	-46.97
CCCC(NC(=O)C1=CC=CC(NC2=CC=C(C)N=N2)=C1)C1=N[N-]N=N1	REAL000000002876	1	45	-1.0	-51.56	375.80	4.60	-46.96
CCCC(NC(=O)C1=CC=CC(NC2=CC=C(C)N=N2)=C1)C1=NNN=N1	REAL000000002876	1	46	0.0	-13.20	372.04	4.28	-8.92
CCCC(NC(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1Cl)C1=NN=N[N-]1	REAL000000002877	0	44	-1.0	-57.10	383.23	2.69	-54.41
CCCC(NC(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1Cl)C1=N[N-]N=N1	REAL000000002877	1	44	-1.0	-57.11	383.17	2.69	-54.42
CCCC(NC(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1Cl)C1=NNN=N1	REAL000000002877	1	45	0.0	-18.26	379.42	2.37	-15.90
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)NC(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000002878	0	53	-1.0	-62.31	419.35	4.18	-58.12
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)NC(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000002878	1	53	-1.0	-62.31	419.29	4.17	-58.13
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)NC(C)(C)C)=C1)C1=NNN=N1	REAL000000002878	1	54	0.0	-21.00	422.72	4.19	-16.81
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1Cl)C1=NN=N[N-]1	REAL000000002879	0	49	-1.0	-51.61	408.82	4.43	-47.18
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1Cl)C1=N[N-]N=N1	REAL000000002879	1	49	-1.0	-51.61	408.77	4.42	-47.19
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1Cl)C1=NNN=N1	REAL000000002879	1	50	0.0	-12.96	405.01	4.11	-8.86
CCCC(NC(=O)CCOCC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000002880	0	46	-1.0	-45.67	383.91	3.73	-41.94
CCCC(NC(=O)CCOCC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000002880	1	46	-1.0	-45.66	383.85	3.73	-41.93
CCCC(NC(=O)CCOCC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000002880	1	47	0.0	-11.94	387.29	3.74	-8.20
CCCC(NC(=O)C1=NN(C2=CC=CC(C(F)(F)F)=C2)C=C1)C1=NN=N[N-]1	REAL000000002881	0	42	-1.0	-52.54	374.45	5.81	-46.73
CCCC(NC(=O)C1=NN(C2=CC=CC(C(F)(F)F)=C2)C=C1)C1=N[N-]N=N1	REAL000000002881	1	42	-1.0	-52.54	374.40	5.80	-46.74
CCCC(NC(=O)C1=NN(C2=CC=CC(C(F)(F)F)=C2)C=C1)C1=NNN=N1	REAL000000002881	1	43	0.0	-14.47	378.21	5.83	-8.64
CCCC(NC(=O)C1=CC=CC(NC2=CC=C(C#N)C=C2)=C1)C1=NN=N[N-]1	REAL000000002882	0	45	-1.0	-49.10	386.55	6.38	-42.72
CCCC(NC(=O)C1=CC=CC(NC2=CC=C(C#N)C=C2)=C1)C1=N[N-]N=N1	REAL000000002882	1	45	-1.0	-49.10	386.49	6.37	-42.72
CCCC(NC(=O)C1=CC=CC(NC2=CC=C(C#N)C=C2)=C1)C1=NNN=N1	REAL000000002882	1	46	0.0	-14.45	389.93	6.39	-8.06
CCCC(NC(=O)C1=CC=CC(NC2=CN=CC=N2)=C1)C1=NN=N[N-]1	REAL000000002883	0	42	-1.0	-49.71	354.04	3.10	-46.61
CCCC(NC(=O)C1=CC=CC(NC2=CN=CC=N2)=C1)C1=N[N-]N=N1	REAL000000002883	1	42	-1.0	-49.72	353.98	3.10	-46.61
CCCC(NC(=O)C1=CC=CC(NC2=CN=CC=N2)=C1)C1=NNN=N1	REAL000000002883	1	43	0.0	-14.43	357.42	3.11	-11.32
CCCC(NC(=O)CCSC1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL000000002884	0	45	-1.0	-47.16	383.67	4.75	-42.41
CCCC(NC(=O)CCSC1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL000000002884	1	45	-1.0	-47.15	383.61	4.74	-42.42
CCCC(NC(=O)CCSC1=CC=C2OCCOC2=C1)C1=NNN=N1	REAL000000002884	1	46	0.0	-13.33	387.04	4.75	-8.58
CCCC(NC(=O)C1=CC(C)=C2C(=O)N(C)C(=O)N(C)C2=N1)C1=NN=N[N-]1	REAL000000002885	0	46	-1.0	-42.76	381.12	3.99	-38.77
CCCC(NC(=O)C1=CC(C)=C2C(=O)N(C)C(=O)N(C)C2=N1)C1=N[N-]N=N1	REAL000000002885	1	46	-1.0	-42.76	381.06	3.99	-38.77
CCCC(NC(=O)C1=CC(C)=C2C(=O)N(C)C(=O)N(C)C2=N1)C1=NNN=N1	REAL000000002885	1	47	0.0	-8.77	377.32	3.66	-5.11
CCCC(NC(=O)C1=CC(N2C=CC=N2)=CC=N1)C1=NN=N[N-]1	REAL000000002886	0	38	-1.0	-55.68	330.41	3.12	-52.56
CCCC(NC(=O)C1=CC(N2C=CC=N2)=CC=N1)C1=N[N-]N=N1	REAL000000002886	1	38	-1.0	-55.69	330.35	3.11	-52.57
CCCC(NC(=O)C1=CC(N2C=CC=N2)=CC=N1)C1=NNN=N1	REAL000000002886	1	39	0.0	-17.38	333.78	3.13	-14.25
CCCC(NC(=O)C1=CC2=C(CCCCC2)NC1=O)C1=NN=N[N-]1	REAL000000002887	0	45	-1.0	-56.64	354.47	3.74	-52.90
CCCC(NC(=O)C1=CC2=C(CCCCC2)NC1=O)C1=N[N-]N=N1	REAL000000002887	1	45	-1.0	-56.64	354.41	3.74	-52.90
CCCC(NC(=O)C1=CC2=C(CCCCC2)NC1=O)C1=NNN=N1	REAL000000002887	1	46	0.0	-14.53	357.85	3.75	-10.77
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000002888	0	49	-1.0	-48.74	388.98	3.70	-45.03
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000002888	1	49	-1.0	-48.74	388.92	3.69	-45.05
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000002888	1	50	0.0	-11.79	392.39	3.71	-8.08
CCCC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002889	0	47	0.0	-56.80	369.64	6.03	-50.76
CCCC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002889	1	47	0.0	-56.91	369.27	6.04	-50.86
CCCC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002889	1	47	0.0	-56.82	369.70	6.04	-50.78
CCCC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002889	1	47	0.0	-56.92	369.33	6.04	-50.88
CCCC(NC(=O)C1=CSC(NC2=CC=CC=N2)=N1)C1=NN=N[N-]1	REAL000000002890	0	39	-1.0	-49.94	349.23	4.18	-45.76
CCCC(NC(=O)C1=CSC(NC2=CC=CC=N2)=N1)C1=N[N-]N=N1	REAL000000002890	1	39	-1.0	-49.94	349.18	4.17	-45.76
CCCC(NC(=O)C1=CSC(NC2=CC=CC=N2)=N1)C1=NNN=N1	REAL000000002890	1	40	0.0	-12.56	352.61	4.19	-8.36
CCCC(NC(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000002891	0	34	-1.0	-43.97	319.28	4.83	-39.13
CCCC(NC(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000002891	1	34	-1.0	-43.95	319.22	4.83	-39.13
CCCC(NC(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000002891	1	35	0.0	-12.42	322.65	4.84	-7.58
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)N=C1)C1=NN=N[N-]1	REAL000000002892	0	38	-1.0	-43.06	339.74	3.32	-39.74
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)N=C1)C1=N[N-]N=N1	REAL000000002892	1	38	-1.0	-43.05	339.68	3.31	-39.74
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)N=C1)C1=NNN=N1	REAL000000002892	1	39	0.0	-9.86	343.11	3.33	-6.53
CCCC(NC(=O)CC(C)C1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000002893	0	44	-1.0	-44.39	372.55	6.55	-37.84
CCCC(NC(=O)CC(C)C1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000002893	1	44	-1.0	-44.38	372.49	6.55	-37.83
CCCC(NC(=O)CC(C)C1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000002893	1	45	0.0	-12.01	375.92	6.56	-5.45
CCCC(NC(=O)CC(C)C1=CC=C(C(C)C)C=C1)C1=NN=N[N-]1	REAL000000002894	0	50	-1.0	-45.23	394.05	7.48	-37.75
CCCC(NC(=O)CC(C)C1=CC=C(C(C)C)C=C1)C1=N[N-]N=N1	REAL000000002894	1	50	-1.0	-45.23	393.99	7.48	-37.75
CCCC(NC(=O)CC(C)C1=CC=C(C(C)C)C=C1)C1=NNN=N1	REAL000000002894	1	51	0.0	-9.74	397.42	7.49	-2.25
CCCC(NC(=O)C(C)CC1=CC=CC=C1F)C1=NN=N[N-]1	REAL000000002895	0	41	-1.0	-49.49	342.47	5.67	-43.81
CCCC(NC(=O)C(C)CC1=CC=CC=C1F)C1=N[N-]N=N1	REAL000000002895	1	41	-1.0	-49.49	342.41	5.68	-43.81
CCCC(NC(=O)C(C)CC1=CC=CC=C1F)C1=NNN=N1	REAL000000002895	1	42	0.0	-10.47	345.84	5.69	-4.78
CCCC(NC(=O)CCS(=O)C1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL000000002896	0	46	-1.0	-61.11	395.66	2.37	-58.74
CCCC(NC(=O)CCS(=O)C1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL000000002896	1	46	-1.0	-61.11	395.61	2.37	-58.74
CCCC(NC(=O)CCS(=O)C1=CC=C2OCCOC2=C1)C1=NNN=N1	REAL000000002896	1	47	0.0	-20.08	391.85	2.05	-18.03
CCCC(NC(=O)COC1=CC=CC(Cl)=C1C)C1=NN=N[N-]1	REAL000000002897	0	39	-1.0	-48.89	342.02	5.36	-43.53
CCCC(NC(=O)COC1=CC=CC(Cl)=C1C)C1=N[N-]N=N1	REAL000000002897	1	39	-1.0	-48.89	341.96	5.36	-43.52
CCCC(NC(=O)COC1=CC=CC(Cl)=C1C)C1=NNN=N1	REAL000000002897	1	40	0.0	-14.68	345.39	5.37	-9.31
CCCC(NC(=O)CCSC1=CC=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL000000002898	0	47	-1.0	-47.01	397.87	4.83	-42.18
CCCC(NC(=O)CCSC1=CC=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL000000002898	1	47	-1.0	-47.01	397.81	4.82	-42.19
CCCC(NC(=O)CCSC1=CC=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000002898	1	48	0.0	-13.78	401.24	4.84	-8.94
CCCC(NC(=O)C(C)CC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000002899	0	44	-1.0	-44.19	374.49	6.59	-37.59
CCCC(NC(=O)C(C)CC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000002899	1	44	-1.0	-44.18	374.43	6.59	-37.59
CCCC(NC(=O)C(C)CC1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000002899	1	45	0.0	-10.36	377.82	6.60	-3.76
CCCC(NC(=O)C1=CC(=O)NC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL000000002900	0	38	-1.0	-48.18	327.71	2.78	-45.40
CCCC(NC(=O)C1=CC(=O)NC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL000000002900	1	38	-1.0	-48.18	327.65	2.78	-45.40
CCCC(NC(=O)C1=CC(=O)NC2=CC=C(F)C=C21)C1=NNN=N1	REAL000000002900	1	39	0.0	-13.37	330.94	2.80	-10.58
CCCC(NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000002901	0	54	-1.0	-46.49	413.52	2.82	-43.66
CCCC(NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000002901	1	54	-1.0	-46.48	413.47	2.82	-43.67
CCCC(NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000002901	1	55	0.0	-12.93	416.90	2.83	-10.09
CCCC(NC(=O)CCS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL000000002902	0	49	-1.0	-51.59	418.37	1.39	-50.20
CCCC(NC(=O)CCS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL000000002902	1	49	-1.0	-51.59	418.31	1.38	-50.21
CCCC(NC(=O)CCS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000002902	1	50	0.0	-17.07	414.57	1.06	-16.01
CCCC(NC(=O)C(C)CC1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000002903	0	44	-1.0	-44.07	374.77	6.60	-37.47
CCCC(NC(=O)C(C)CC1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000002903	1	44	-1.0	-44.08	374.72	6.60	-37.48
CCCC(NC(=O)C(C)CC1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000002903	1	45	0.0	-11.18	378.15	6.61	-4.57
CCCC(NC(=O)C1=CC=NC(N2C=CC([N+](=O)[O-])=N2)=C1)C1=NN=N[N-]1	REAL000000002904	0	40	-1.0	-55.98	360.72	5.83	-50.15
CCCC(NC(=O)C1=CC=NC(N2C=CC([N+](=O)[O-])=N2)=C1)C1=N[N-]N=N1	REAL000000002904	1	40	-1.0	-55.98	360.66	5.83	-50.15
CCCC(NC(=O)C1=CC=NC(N2C=CC([N+](=O)[O-])=N2)=C1)C1=NNN=N1	REAL000000002904	1	41	0.0	-21.38	364.10	5.84	-15.54
CCCC(NC(=O)C1=COC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL000000002905	0	38	-1.0	-46.08	334.55	2.10	-43.98
CCCC(NC(=O)C1=COC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL000000002905	1	38	-1.0	-46.08	334.49	2.09	-43.99
CCCC(NC(=O)C1=COC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000002905	1	39	0.0	-10.41	337.93	2.11	-8.30
CCCC(NC(=O)C1=CC=CC(NC(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL000000002906	0	44	-1.0	-61.40	361.96	3.44	-57.96
CCCC(NC(=O)C1=CC=CC(NC(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL000000002906	1	44	-1.0	-61.41	361.90	3.43	-57.98
CCCC(NC(=O)C1=CC=CC(NC(=O)N(C)C)=C1)C1=NNN=N1	REAL000000002906	1	45	0.0	-18.76	359.16	3.09	-15.68
CCCC(NC(=O)CC1=CSC(C2=COC=C2)=N1)C1=NN=N[N-]1	REAL000000002907	0	38	-1.0	-54.53	345.74	3.29	-51.24
CCCC(NC(=O)CC1=CSC(C2=COC=C2)=N1)C1=N[N-]N=N1	REAL000000002907	1	38	-1.0	-54.53	345.68	3.28	-51.24
CCCC(NC(=O)CC1=CSC(C2=COC=C2)=N1)C1=NNN=N1	REAL000000002907	1	39	0.0	-16.46	349.15	3.30	-13.16
CCCC(NC(=O)C1=CN(C2=CC=CC(C(F)(F)F)=C2)N=N1)C1=NN=N[N-]1	REAL000000002908	0	41	-1.0	-47.06	370.75	4.34	-42.72
CCCC(NC(=O)C1=CN(C2=CC=CC(C(F)(F)F)=C2)N=N1)C1=N[N-]N=N1	REAL000000002908	1	41	-1.0	-47.06	370.69	4.34	-42.73
CCCC(NC(=O)C1=CN(C2=CC=CC(C(F)(F)F)=C2)N=N1)C1=NNN=N1	REAL000000002908	1	42	0.0	-13.56	373.80	4.34	-9.22
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C1=NN=N[N-]1	REAL000000002909	0	34	-1.0	-43.43	318.79	4.94	-38.49
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C1=N[N-]N=N1	REAL000000002909	1	34	-1.0	-43.43	318.73	4.95	-38.48
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C1=NNN=N1	REAL000000002909	1	35	0.0	-13.01	322.17	4.95	-8.05
CCCC(NC(=O)C1=CC=C(OCC2=CN(C)N=C2)C(OC)=C1)C1=NN=N[N-]1	REAL000000002910	0	50	-1.0	-53.41	417.55	4.65	-48.76
CCCC(NC(=O)C1=CC=C(OCC2=CN(C)N=C2)C(OC)=C1)C1=N[N-]N=N1	REAL000000002910	1	50	-1.0	-53.41	417.49	4.64	-48.77
CCCC(NC(=O)C1=CC=C(OCC2=CN(C)N=C2)C(OC)=C1)C1=NNN=N1	REAL000000002910	1	51	0.0	-19.00	420.93	4.66	-14.34
CCCC(NC(=O)CCC1=NC(C2=COC=C2)=NO1)C1=NN=N[N-]1	REAL000000002911	0	40	-1.0	-46.88	353.22	1.73	-45.15
CCCC(NC(=O)CCC1=NC(C2=COC=C2)=NO1)C1=N[N-]N=N1	REAL000000002911	1	40	-1.0	-46.87	353.17	1.73	-45.14
CCCC(NC(=O)CCC1=NC(C2=COC=C2)=NO1)C1=NNN=N1	REAL000000002911	1	41	0.0	-14.42	356.60	1.75	-12.67
CCCC(NC(=O)C1=CC=NC(N2C=CC=N2)=C1)C1=NN=N[N-]1	REAL000000002912	0	38	-1.0	-52.70	330.26	4.15	-48.56
CCCC(NC(=O)C1=CC=NC(N2C=CC=N2)=C1)C1=N[N-]N=N1	REAL000000002912	1	38	-1.0	-52.70	330.20	4.14	-48.56
CCCC(NC(=O)C1=CC=NC(N2C=CC=N2)=C1)C1=NNN=N1	REAL000000002912	1	39	0.0	-18.02	333.63	4.16	-13.86
CCCC(NC(=O)C1CC2COCC(C1)C2=O)C1=NN=N[N-]1	REAL000000002913	0	42	-1.0	-46.57	326.98	3.32	-43.25
CCCC(NC(=O)C1CC2COCC(C1)C2=O)C1=N[N-]N=N1	REAL000000002913	1	42	-1.0	-46.57	326.92	3.32	-43.24
CCCC(NC(=O)C1CC2COCC(C1)C2=O)C1=NNN=N1	REAL000000002913	1	43	0.0	-12.38	330.35	3.33	-9.05
CCCC(NC(=O)C1=CSC(CC2=CC=CC=C2F)=N1)C1=NN=N[N-]1	REAL000000002914	0	41	-1.0	-46.51	370.39	5.16	-41.35
CCCC(NC(=O)C1=CSC(CC2=CC=CC=C2F)=N1)C1=N[N-]N=N1	REAL000000002914	1	41	-1.0	-46.51	370.34	5.16	-41.35
CCCC(NC(=O)C1=CSC(CC2=CC=CC=C2F)=N1)C1=NNN=N1	REAL000000002914	1	42	0.0	-10.59	373.77	5.17	-5.41
CCCC(NC(=O)CC1=CC=C([N+](=O)[O-])C=C1Cl)C1=NN=N[N-]1	REAL000000002915	0	37	-1.0	-49.46	341.05	5.39	-44.07
CCCC(NC(=O)CC1=CC=C([N+](=O)[O-])C=C1Cl)C1=N[N-]N=N1	REAL000000002915	1	37	-1.0	-49.46	340.99	5.39	-44.07
CCCC(NC(=O)CC1=CC=C([N+](=O)[O-])C=C1Cl)C1=NNN=N1	REAL000000002915	1	38	0.0	-15.93	344.43	5.40	-10.53
CCCC(NC(=O)CC1CN(CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL000000002916	0	51	-1.0	-48.82	405.50	4.15	-44.67
CCCC(NC(=O)CC1CN(CC2=CC=CC=C2)CCO1)C1=N[N-]N=N1	REAL000000002916	1	51	-1.0	-48.81	405.44	4.14	-44.67
CCCC(NC(=O)C1=CSC(NC2=CC=C(OC)C=C2)=N1)C1=NN=N[N-]1	REAL000000002917	0	44	-1.0	-46.88	382.74	3.43	-43.45
CCCC(NC(=O)C1=CSC(NC2=CC=C(OC)C=C2)=N1)C1=N[N-]N=N1	REAL000000002917	1	44	-1.0	-46.88	382.68	3.43	-43.45
CCCC(NC(=O)C1=CSC(NC2=CC=C(OC)C=C2)=N1)C1=NNN=N1	REAL000000002917	1	45	0.0	-8.95	378.94	3.12	-5.83
CCCC(NC(=O)CC1=CNC2=CC=C(Cl)C=C12)C1=NN=N[N-]1	REAL000000002918	0	39	-1.0	-47.41	347.69	4.90	-42.52
CCCC(NC(=O)CC1=CNC2=CC=C(Cl)C=C12)C1=N[N-]N=N1	REAL000000002918	1	39	-1.0	-47.41	347.63	4.90	-42.51
CCCC(NC(=O)CC1=CNC2=CC=C(Cl)C=C12)C1=NNN=N1	REAL000000002918	1	40	0.0	-15.14	351.07	4.90	-10.23
CCCC(NC(=O)C1=CC=CC(N2C=CN=C2)=C1)C1=NN=N[N-]1	REAL000000002919	0	39	-1.0	-51.09	330.28	6.05	-45.04
CCCC(NC(=O)C1=CC=CC(N2C=CN=C2)=C1)C1=N[N-]N=N1	REAL000000002919	1	39	-1.0	-51.08	330.22	6.04	-45.05
CCCC(NC(=O)C1=CC=CC(N2C=CN=C2)=C1)C1=NNN=N1	REAL000000002919	1	40	0.0	-16.20	333.66	6.06	-10.14
CCCC(NC(=O)CCSCC1=NC2=CC=CC=C2C(=O)N1)C1=NN=N[N-]1	REAL000000002920	0	47	-1.0	-50.21	409.57	5.00	-45.21
CCCC(NC(=O)CCSCC1=NC2=CC=CC=C2C(=O)N1)C1=N[N-]N=N1	REAL000000002920	1	47	-1.0	-50.21	409.51	5.00	-45.21
CCCC(NC(=O)CCSCC1=NC2=CC=CC=C2C(=O)N1)C1=NNN=N1	REAL000000002920	1	48	0.0	-17.12	412.95	5.01	-12.11
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(CC)=N1)C1=NN=N[N-]1	REAL000000002921	0	44	-1.0	-53.59	371.47	5.72	-47.88
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(CC)=N1)C1=N[N-]N=N1	REAL000000002921	1	44	-1.0	-53.59	371.41	5.72	-47.88
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(CC)=N1)C1=NNN=N1	REAL000000002921	1	45	0.0	-15.61	374.81	5.72	-9.89
CCCC(NC(=O)C1=CC2=CC(F)=CC=C2O1)C1=NN=N[N-]1	REAL000000002922	0	35	-1.0	-43.27	312.07	4.10	-39.17
CCCC(NC(=O)C1=CC2=CC(F)=CC=C2O1)C1=N[N-]N=N1	REAL000000002922	1	35	-1.0	-43.27	312.02	4.10	-39.18
CCCC(NC(=O)C1=CC2=CC(F)=CC=C2O1)C1=NNN=N1	REAL000000002922	1	36	0.0	-9.52	315.45	4.11	-5.40
CCCC(NC(=O)CCCC1=NC(C2CC2)=NO1)C1=NN=N[N-]1	REAL000000002923	0	43	-1.0	-52.33	364.84	3.03	-49.30
CCCC(NC(=O)CCCC1=NC(C2CC2)=NO1)C1=N[N-]N=N1	REAL000000002923	1	43	-1.0	-52.33	364.78	3.02	-49.31
CCCC(NC(=O)CCCC1=NC(C2CC2)=NO1)C1=NNN=N1	REAL000000002923	1	44	0.0	-17.15	368.21	3.03	-14.12
CCCC(NC(=O)C1=CC=CC(C2=NC(C)=CS2)=C1)C1=NN=N[N-]1	REAL000000002924	0	41	-1.0	-48.55	360.59	5.13	-43.43
CCCC(NC(=O)C1=CC=CC(C2=NC(C)=CS2)=C1)C1=N[N-]N=N1	REAL000000002924	1	41	-1.0	-48.56	360.53	5.12	-43.44
CCCC(NC(=O)C1=CC=CC(C2=NC(C)=CS2)=C1)C1=NNN=N1	REAL000000002924	1	42	0.0	-13.64	363.97	5.14	-8.50
CCCC(NC(=O)CNC(C1=CC=CC=C1)C(F)(F)F)C1=NN=N[N-]1	REAL000000002925	0	43	-1.0	-44.66	369.15	3.60	-41.06
CCCC(NC(=O)CNC(C1=CC=CC=C1)C(F)(F)F)C1=N[N-]N=N1	REAL000000002925	1	43	-1.0	-44.66	369.10	3.60	-41.06
CCCC(NC(=O)CNC(C1=CC=CC=C1)C(F)(F)F)C1=NNN=N1	REAL000000002925	1	44	0.0	-9.30	365.34	3.29	-6.01
CCCC(NC(=O)C1=CC2=C(CCC2)C(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000002926	0	44	-1.0	-52.88	372.80	0.50	-52.38
CCCC(NC(=O)C1=CC2=C(CCC2)C(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000002926	1	44	-1.0	-52.89	372.74	0.50	-52.39
CCCC(NC(=O)C1=CC2=C(CCC2)C(S(N)(=O)=O)=C1)C1=NNN=N1	REAL000000002926	1	45	0.0	-15.53	376.12	0.51	-15.01
CCCC(NC(=O)CN1CCN(C2=CC=CC=N2)CC1)C1=NN=N[N-]1	REAL000000002927	0	48	-1.0	-48.13	380.69	2.05	-46.08
CCCC(NC(=O)CN1CCN(C2=CC=CC=N2)CC1)C1=N[N-]N=N1	REAL000000002927	1	48	-1.0	-48.13	380.63	2.04	-46.09
CCCC(NC(=O)CN1CCN(C2=CC=CC=N2)CC1)C1=NNN=N1	REAL000000002927	1	49	0.0	-15.38	384.47	2.07	-13.31
CCCC(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000002928	0	51	-1.0	-47.74	389.99	2.21	-45.53
CCCC(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000002928	1	51	-1.0	-47.75	389.93	2.21	-45.54
CCCC(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000002928	1	52	0.0	-10.81	386.19	1.89	-8.92
CCCC(NC(=O)C(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL000000002929	0	41	-1.0	-45.30	355.81	4.67	-40.63
CCCC(NC(=O)C(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL000000002929	1	41	-1.0	-45.31	355.75	4.67	-40.63
CCCC(NC(=O)C(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000002929	1	42	0.0	-11.38	359.19	4.69	-6.69
CCCC(NC(=O)C1=CC(=O)NC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL000000002930	0	38	-1.0	-42.48	327.19	2.76	-39.72
CCCC(NC(=O)C1=CC(=O)NC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL000000002930	1	38	-1.0	-42.48	327.14	2.76	-39.72
CCCC(NC(=O)C1=CC(=O)NC2=CC(F)=CC=C21)C1=NNN=N1	REAL000000002930	1	39	0.0	-11.12	330.72	2.76	-8.36
CCCC(NC(=O)C1=CC(C)=C2C(=O)[N-]C(=O)N=C2N1)C1=NN=N[N-]1	REAL000000002931	0	39	-2.0	-97.85	338.51	-2.61	-100.46
CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C(C(C)C)=N1)C1=NN=N[N-]1	REAL000000002932	0	47	-1.0	-55.66	397.68	6.19	-49.47
CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C(C(C)C)=N1)C1=N[N-]N=N1	REAL000000002932	1	47	-1.0	-55.67	397.62	6.19	-49.48
CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C(C(C)C)=N1)C1=NNN=N1	REAL000000002932	1	48	0.0	-16.13	401.12	6.21	-9.92
CCCC(NC(=O)C1=CC=NC(N2CCCCC2)=N1)C1=NN=N[N-]1	REAL000000002933	0	45	-1.0	-44.16	364.04	4.59	-39.57
CCCC(NC(=O)C1=CC=NC(N2CCCCC2)=N1)C1=N[N-]N=N1	REAL000000002933	1	45	-1.0	-44.16	363.99	4.58	-39.58
CCCC(NC(=O)C1=CC=NC(N2CCCCC2)=N1)C1=NNN=N1	REAL000000002933	1	46	0.0	-9.85	367.40	4.61	-5.24
CCCC(NC(=O)C(C)CC1=C(C)ON=C1C)C1=NN=N[N-]1	REAL000000002934	0	43	-1.0	-44.06	347.89	4.18	-39.88
CCCC(NC(=O)C(C)CC1=C(C)ON=C1C)C1=N[N-]N=N1	REAL000000002934	1	43	-1.0	-44.05	347.84	4.18	-39.87
CCCC(NC(=O)C(C)CC1=C(C)ON=C1C)C1=NNN=N1	REAL000000002934	1	44	0.0	-12.08	351.27	4.19	-7.89
CCCC(NC(=O)C1=C2N=C(C)C=CC2=CC=C1)C1=NN=N[N-]1	REAL000000002935	0	40	-1.0	-58.92	335.03	5.07	-53.86
CCCC(NC(=O)C1=C2N=C(C)C=CC2=CC=C1)C1=N[N-]N=N1	REAL000000002935	1	40	-1.0	-58.92	334.97	5.06	-53.86
CCCC(NC(=O)C1=C2N=C(C)C=CC2=CC=C1)C1=NNN=N1	REAL000000002935	1	41	0.0	-14.61	331.21	4.75	-9.87
CCCC(NC(=O)C1CC2=CC(F)=CC=C2O1)C1=NN=N[N-]1	REAL000000002936	0	37	-1.0	-47.52	320.02	4.58	-42.94
CCCC(NC(=O)C1CC2=CC(F)=CC=C2O1)C1=N[N-]N=N1	REAL000000002936	1	37	-1.0	-47.52	319.96	4.58	-42.94
CCCC(NC(=O)C1CC2=CC(F)=CC=C2O1)C1=NNN=N1	REAL000000002936	1	38	0.0	-10.70	316.21	4.17	-6.53
CCCC(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C1=NN=N[N-]1	REAL000000002937	0	44	0.0	-65.50	352.71	5.55	-59.96
CCCC(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C1=N[N-]N=N1	REAL000000002937	1	44	0.0	-65.50	352.65	5.55	-59.95
CCCC(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C1=NNN=N1	REAL000000002937	1	45	1.0	-42.67	356.08	5.56	-37.11
CCCC(NC(=O)CCN1CC[NH+](CC)CC1)C1=NN=N[N-]1	REAL000000002938	0	49	0.0	-65.25	372.65	2.70	-62.55
CCCC(NC(=O)C1CCN(C2=CC=C(C)C=N2)CC1)C1=NN=N[N-]1	REAL000000002939	0	49	-1.0	-48.32	387.79	4.88	-43.45
CCCC(NC(=O)C1CCN(C2=CC=C(C)C=N2)CC1)C1=N[N-]N=N1	REAL000000002939	1	49	-1.0	-48.32	387.73	4.88	-43.44
CCCC(NC(=O)C1=CC(S(=O)(=O)NCCOC)=CN1)C1=NN=N[N-]1	REAL000000002940	0	45	-1.0	-52.07	394.69	-2.52	-54.59
CCCC(NC(=O)C1=CC(S(=O)(=O)NCCOC)=CN1)C1=N[N-]N=N1	REAL000000002940	1	45	-1.0	-52.07	394.63	-2.52	-54.59
CCCC(NC(=O)C1=CC(S(=O)(=O)NCCOC)=CN1)C1=NNN=N1	REAL000000002940	1	46	0.0	-15.69	390.86	-2.83	-18.52
CCCC(NC(=O)C1=CC(S(=O)(=O)NC(C)C)=CN1)C1=NN=N[N-]1	REAL000000002941	0	44	-1.0	-51.58	378.61	-1.05	-52.63
CCCC(NC(=O)C1=CC(S(=O)(=O)NC(C)C)=CN1)C1=N[N-]N=N1	REAL000000002941	1	44	-1.0	-51.57	378.55	-1.05	-52.62
CCCC(NC(=O)C1=CC(S(=O)(=O)NC(C)C)=CN1)C1=NNN=N1	REAL000000002941	1	45	0.0	-18.64	381.99	-1.04	-19.68
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NCC(N)=O)O1)C1=NN=N[N-]1	REAL000000002942	0	41	-1.0	-47.74	374.29	-5.11	-52.86
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NCC(N)=O)O1)C1=N[N-]N=N1	REAL000000002942	1	41	-1.0	-47.74	374.23	-5.12	-52.86
CCCC(NC(=O)C1=CC=C(CC2CC(=O)NC2=O)C=C1)C1=NN=N[N-]1	REAL000000002943	0	45	-1.0	-55.11	376.13	2.78	-52.33
CCCC(NC(=O)C1=CC=C(CC2CC(=O)NC2=O)C=C1)C1=N[N-]N=N1	REAL000000002943	1	45	-1.0	-55.12	376.07	2.77	-52.35
CCCC(NC(=O)C1=CC=C(CC2CC(=O)NC2=O)C=C1)C1=NNN=N1	REAL000000002943	1	46	0.0	-18.63	379.45	2.79	-15.85
CCCC(NC(=O)C1=C(C)OC(C2=CC=CC=C2F)=N1)C1=NN=N[N-]1	REAL000000002944	0	41	-1.0	-49.71	358.58	3.29	-46.41
CCCC(NC(=O)C1=C(C)OC(C2=CC=CC=C2F)=N1)C1=N[N-]N=N1	REAL000000002944	1	41	-1.0	-49.70	358.53	3.29	-46.42
CCCC(NC(=O)C1=C(C)OC(C2=CC=CC=C2F)=N1)C1=NNN=N1	REAL000000002944	1	42	0.0	-12.45	361.96	3.30	-9.15
CCCC(NC(=O)CN(C)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000002945	0	45	-1.0	-43.67	400.76	2.72	-40.95
CCCC(NC(=O)CN(C)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000002945	1	45	-1.0	-43.66	400.71	2.71	-40.96
CCCC(NC(=O)CN(C)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000002945	1	46	0.0	-15.67	396.94	2.40	-13.27
CCCC(NC(=O)CCSC1=CC=C2OCCCOC2=C1)C1=NN=N[N-]1	REAL000000002946	0	48	-1.0	-46.41	401.99	5.53	-40.88
CCCC(NC(=O)CCSC1=CC=C2OCCCOC2=C1)C1=N[N-]N=N1	REAL000000002946	1	48	-1.0	-46.40	401.93	5.53	-40.87
CCCC(NC(=O)CCSC1=CC=C2OCCCOC2=C1)C1=NNN=N1	REAL000000002946	1	49	0.0	-13.41	405.35	5.54	-7.87
CCCC(NC(=O)C(C)CCC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL000000002947	0	44	-1.0	-48.98	364.46	6.51	-42.47
CCCC(NC(=O)C(C)CCC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL000000002947	1	44	-1.0	-48.98	364.40	6.50	-42.48
CCCC(NC(=O)C(C)CCC1=CC=CC(F)=C1)C1=NNN=N1	REAL000000002947	1	45	0.0	-12.37	367.83	6.52	-5.85
CCCC(NC(=O)CCC1=C(C)N=C2C(=C1C)C(=O)NN2C)C1=NN=N[N-]1	REAL000000002948	0	50	-1.0	-48.81	407.00	3.46	-45.35
CCCC(NC(=O)CCC1=C(C)N=C2C(=C1C)C(=O)NN2C)C1=N[N-]N=N1	REAL000000002948	1	50	-1.0	-48.80	406.94	3.45	-45.35
CCCC(NC(=O)CCC1=C(C)N=C2C(=C1C)C(=O)NN2C)C1=NNN=N1	REAL000000002948	1	51	0.0	-17.38	410.38	3.47	-13.92
CCCC(NC(=O)C1CCCC(C(=O)OC)C1)C1=NN=N[N-]1	REAL000000002949	0	44	-1.0	-52.15	354.78	4.53	-47.62
CCCC(NC(=O)C1CCCC(C(=O)OC)C1)C1=N[N-]N=N1	REAL000000002949	1	44	-1.0	-52.14	354.73	4.53	-47.61
CCCC(NC(=O)C1CCCC(C(=O)OC)C1)C1=NNN=N1	REAL000000002949	1	45	0.0	-12.59	351.02	4.21	-8.39
CCCC(NC(=O)C1=CC(=O)N(C2=CC=C(C)C=C2)[N-]1)C1=NN=N[N-]1	REAL000000002950	0	42	-2.0	-99.97	362.59	3.99	-95.98
CCCC(NC(=O)C1=CC(=O)N(C2=CC=C(C)C=C2)[N-]1)C1=N[N-]N=N1	REAL000000002950	1	42	-2.0	-99.98	362.53	3.98	-96.00
CCCC(NC(=O)C1=CC(=O)N(C2=CC=C(C)C=C2)[N-]1)C1=NNN=N1	REAL000000002950	1	43	-1.0	-47.34	365.96	4.00	-43.34
CCCC(NC(=O)C1=NOC(C2=CC=CC(F)=C2)=N1)C1=NN=N[N-]1	REAL000000002951	0	37	-1.0	-45.59	335.65	2.29	-43.30
CCCC(NC(=O)C1=NOC(C2=CC=CC(F)=C2)=N1)C1=N[N-]N=N1	REAL000000002951	1	37	-1.0	-45.59	335.59	2.28	-43.31
CCCC(NC(=O)C1=NOC(C2=CC=CC(F)=C2)=N1)C1=NNN=N1	REAL000000002951	1	38	0.0	-11.14	339.02	2.30	-8.83
CCCC(NC(=O)C1=CC2=C(C=C1Cl)NC(=O)C2)C1=NN=N[N-]1	REAL000000002952	0	37	-1.0	-48.23	328.83	2.62	-45.61
CCCC(NC(=O)C1=CC2=C(C=C1Cl)NC(=O)C2)C1=N[N-]N=N1	REAL000000002952	1	37	-1.0	-48.22	328.77	2.62	-45.59
CCCC(NC(=O)C1=CC2=C(C=C1Cl)NC(=O)C2)C1=NNN=N1	REAL000000002952	1	38	0.0	-11.60	325.02	2.31	-9.29
CCCC(NC(=O)C(C)OC1=CC=C(SC)C=C1)C1=NN=N[N-]1	REAL000000002953	0	43	-1.0	-48.87	365.51	5.81	-43.06
CCCC(NC(=O)C(C)OC1=CC=C(SC)C=C1)C1=N[N-]N=N1	REAL000000002953	1	43	-1.0	-48.86	365.45	5.80	-43.06
CCCC(NC(=O)C(C)OC1=CC=C(SC)C=C1)C1=NNN=N1	REAL000000002953	1	44	0.0	-10.68	360.90	5.43	-5.24
CCCNC(=O)C1=CC=CC(C(=O)NC(CCC)C2=NN=N[N-]2)=C1	REAL000000002954	0	45	-1.0	-58.31	373.77	3.54	-54.76
CCCNC(=O)C1=CC=CC(C(=O)NC(CCC)C2=N[N-]N=N2)=C1	REAL000000002954	1	45	-1.0	-58.31	373.71	3.55	-54.76
CCCNC(=O)C1=CC=CC(C(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000002954	1	46	0.0	-21.12	377.15	3.55	-17.56
CCCC(NC(=O)C1=CC=CC(C2=NN=C(C)O2)=C1)C1=NN=N[N-]1	REAL000000002955	0	40	-1.0	-56.42	347.25	0.30	-56.12
CCCC(NC(=O)C1=CC=CC(C2=NN=C(C)O2)=C1)C1=N[N-]N=N1	REAL000000002955	1	40	-1.0	-56.43	347.19	0.29	-56.13
CCCC(NC(=O)C1=CC=CC(C2=NN=C(C)O2)=C1)C1=NNN=N1	REAL000000002955	1	41	0.0	-20.23	350.63	0.31	-19.92
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)C(F)F)C=C1)C1=NN=N[N-]1	REAL000000002956	0	41	-1.0	-52.80	372.86	2.25	-50.55
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)C(F)F)C=C1)C1=N[N-]N=N1	REAL000000002956	1	41	-1.0	-52.79	372.81	2.24	-50.55
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)C(F)F)C=C1)C1=NNN=N1	REAL000000002956	1	42	0.0	-18.26	376.24	2.26	-16.00
CCCC(NC(=O)CCCOC1=CC=CN=C1)C1=NN=N[N-]1	REAL000000002957	0	41	-1.0	-49.45	345.22	2.92	-46.53
CCCC(NC(=O)CCCOC1=CC=CN=C1)C1=N[N-]N=N1	REAL000000002957	1	41	-1.0	-49.45	345.17	2.93	-46.52
CCCC(NC(=O)CCCOC1=CC=CN=C1)C1=NNN=N1	REAL000000002957	1	42	0.0	-14.68	348.60	2.93	-11.75
CCCC(NC(=O)CC(C)C1=CC=C(CC)C=C1)C1=NN=N[N-]1	REAL000000002958	0	47	-1.0	-45.32	376.71	6.98	-38.34
CCCC(NC(=O)CC(C)C1=CC=C(CC)C=C1)C1=N[N-]N=N1	REAL000000002958	1	47	-1.0	-45.32	376.65	6.99	-38.34
CCCC(NC(=O)CC(C)C1=CC=C(CC)C=C1)C1=NNN=N1	REAL000000002958	1	48	0.0	-9.36	380.09	7.00	-2.36
CCCC(NC(=O)CC(CC)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000002959	0	47	-1.0	-45.55	375.60	6.88	-38.68
CCCC(NC(=O)CC(CC)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000002959	1	47	-1.0	-45.54	375.54	6.87	-38.68
CCCC(NC(=O)CC(CC)C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000002959	1	48	0.0	-9.79	378.30	6.89	-2.90
CCCC(NC(=O)C1=CC=CC(C(=O)N2CCCC2)=N1)C1=NN=N[N-]1	REAL000000002960	0	45	-1.0	-46.11	370.46	3.86	-42.25
CCCC(NC(=O)C1=CC=CC(C(=O)N2CCCC2)=N1)C1=N[N-]N=N1	REAL000000002960	1	45	-1.0	-46.11	370.41	3.86	-42.25
CCCC(NC(=O)C1=CC=CC(C(=O)N2CCCC2)=N1)C1=NNN=N1	REAL000000002960	1	46	0.0	-12.84	373.85	3.86	-8.98
CCCC(NC(=O)C1=CC=NC(OCC(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000002961	0	38	-1.0	-47.29	343.16	1.76	-45.53
CCCC(NC(=O)C1=CC=NC(OCC(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000002961	1	38	-1.0	-47.29	343.10	1.75	-45.55
CCCC(NC(=O)C1=CC=NC(OCC(F)(F)F)=C1)C1=NNN=N1	REAL000000002961	1	39	0.0	-14.06	346.54	1.77	-12.29
CCCC(NC(=O)CC1CCCN(C(=O)NCC(C)C)C1)C1=NN=N[N-]1	REAL000000002962	0	56	-1.0	-60.12	430.30	4.68	-55.44
CCCC(NC(=O)CC1CCCN(C(=O)NCC(C)C)C1)C1=N[N-]N=N1	REAL000000002962	1	56	-1.0	-60.12	430.24	4.67	-55.45
CCCC(NC(=O)CC1CCCN(C(=O)NCC(C)C)C1)C1=NNN=N1	REAL000000002962	1	57	0.0	-20.62	433.68	4.68	-15.94
CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C1=NN=N[N-]1	REAL000000002963	0	56	0.0	-62.89	428.75	6.07	-56.82
CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C1=N[N-]N=N1	REAL000000002963	1	56	0.0	-62.87	428.70	6.07	-56.80
CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL000000002964	0	53	0.0	-62.52	407.36	5.40	-57.12
CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL000000002964	1	53	0.0	-62.50	407.30	5.40	-57.10
CCCC(NC(=O)CSCC[NH+](CC)CC)C1=NN=N[N-]1	REAL000000002965	0	47	0.0	-65.46	377.14	5.36	-60.10
CCCC(NC(=O)CSCC[NH+](CC)CC)C1=N[N-]N=N1	REAL000000002965	1	47	0.0	-65.45	377.09	5.35	-60.10
CCCC(NC(=O)CSCC[NH+](CC)CC)C1=NNN=N1	REAL000000002965	1	48	1.0	-42.96	380.52	5.37	-37.59
CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1=NN=N[N-]1	REAL000000002966	0	52	0.0	-62.14	405.08	4.80	-57.33
CCCC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C1=NN=N[N-]1	REAL000000002967	0	53	0.0	-66.74	411.39	5.00	-61.74
CCCC(NC(=O)C1CCCN(C(=O)COC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000002968	0	53	-1.0	-53.23	425.03	6.40	-46.83
CCCC(NC(=O)C1CCCN(C(=O)COC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000002968	1	53	-1.0	-53.23	424.98	6.39	-46.84
CCCC(NC(=O)C1CCCN(C(=O)COC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000002968	1	54	0.0	-17.15	428.41	6.41	-10.74
CCCC(NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C1=NN=N[N-]1	REAL000000002969	0	53	-1.0	-53.81	422.58	3.33	-50.48
CCCC(NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C1=N[N-]N=N1	REAL000000002969	1	53	-1.0	-53.81	422.52	3.33	-50.48
CCCC(NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C1=NNN=N1	REAL000000002969	1	54	0.0	-20.91	425.77	3.33	-17.58
CCCC(NC(=O)CC1=CNC2=C(C)C=CC=C12)C1=NN=N[N-]1	REAL000000002970	0	42	-1.0	-48.68	352.12	5.04	-43.64
CCCC(NC(=O)CC1=CNC2=C(C)C=CC=C12)C1=N[N-]N=N1	REAL000000002970	1	42	-1.0	-48.68	352.06	5.03	-43.65
CCCC(NC(=O)CC1=CNC2=C(C)C=CC=C12)C1=NNN=N1	REAL000000002970	1	43	0.0	-11.45	348.31	4.72	-6.73
CCCC(NC(=O)C1=CC(N2CCNC2=O)=CC=C1F)C1=NN=N[N-]1	REAL000000002971	0	42	-1.0	-53.99	351.34	2.47	-51.52
CCCC(NC(=O)C1=CC(N2CCNC2=O)=CC=C1F)C1=N[N-]N=N1	REAL000000002971	1	42	-1.0	-53.99	351.29	2.46	-51.53
CCCC(NC(=O)C1=CC(N2CCNC2=O)=CC=C1F)C1=NNN=N1	REAL000000002971	1	43	0.0	-20.43	354.72	2.47	-17.96
CCCC(NC(=O)C=C(CC)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000002972	0	45	-1.0	-44.41	368.80	7.04	-37.37
CCCC(NC(=O)C=C(CC)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000002972	1	45	-1.0	-44.40	368.74	7.04	-37.36
CCCC(NC(=O)C=C(CC)C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000002972	1	46	0.0	-8.45	368.58	6.96	-1.49
CCCC(NC(=O)C1=CC=C2[N-]C(=S)OC2=C1)C1=NN=N[N-]1	REAL000000002973	0	34	-2.0	-90.36	314.79	0.96	-89.40
CCCC(NC(=O)C1=CC=C2[N-]C(=S)OC2=C1)C1=N[N-]N=N1	REAL000000002973	1	34	-2.0	-90.36	314.74	0.96	-89.40
CCCC(NC(=O)C1=CC=C2[N-]C(=S)OC2=C1)C1=NNN=N1	REAL000000002973	1	35	-1.0	-48.24	318.17	0.97	-47.28
CCCC(NC(=O)C1=CC=C(OC2=CC=C(C(C)(C)C)C=C2)N=C1)C1=NN=N[N-]1	REAL000000002974	0	54	-1.0	-44.88	437.27	6.34	-38.55
CCCC(NC(=O)C1=CC=C(OC2=CC=C(C(C)(C)C)C=C2)N=C1)C1=N[N-]N=N1	REAL000000002974	1	54	-1.0	-44.88	437.22	6.34	-38.54
CCCC(NC(=O)C1=CC=C(OC2=CC=C(C(C)(C)C)C=C2)N=C1)C1=NNN=N1	REAL000000002974	1	55	0.0	-11.23	440.65	6.35	-4.89
CCCC(NC(=O)C1=CC(Br)=C(C=O)N1C)C1=NN=N[N-]1	REAL000000002975	0	35	-1.0	-44.90	320.83	3.23	-41.67
CCCC(NC(=O)C1=CC(Br)=C(C=O)N1C)C1=N[N-]N=N1	REAL000000002975	1	35	-1.0	-44.90	320.77	3.23	-41.67
CCCC(NC(=O)C1=CC(Br)=C(C=O)N1C)C1=NNN=N1	REAL000000002975	1	36	0.0	-12.79	324.20	3.24	-9.55
CCCC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=NN=N[N-]1	REAL000000002976	0	52	0.0	-61.09	367.47	3.73	-57.36
CCCC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=N[N-]N=N1	REAL000000002976	1	52	0.0	-61.08	367.42	3.74	-57.35
CCCC(NC(=O)C(C)SCC1=NC2=CC=CC=C2C(=O)N1)C1=NN=N[N-]1	REAL000000002977	0	47	-1.0	-56.31	406.45	4.77	-51.54
CCCC(NC(=O)C(C)SCC1=NC2=CC=CC=C2C(=O)N1)C1=N[N-]N=N1	REAL000000002977	1	47	-1.0	-56.32	406.39	4.76	-51.56
CCCC(NC(=O)C(C)SCC1=NC2=CC=CC=C2C(=O)N1)C1=NNN=N1	REAL000000002977	1	48	0.0	-17.33	402.63	4.44	-12.89
CCCC(NC(=O)CC(NC(C)=O)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL000000002978	0	45	-1.0	-43.36	379.71	3.56	-39.80
CCCC(NC(=O)CC(NC(C)=O)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL000000002978	1	45	-1.0	-43.36	379.65	3.55	-39.81
CCCC(NC(=O)CC(NC(C)=O)C1=CC=C(F)C=C1F)C1=NNN=N1	REAL000000002978	1	46	0.0	-11.35	383.36	3.56	-7.80
CCCC(NC(=O)C1CN(CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL000000002979	0	48	-1.0	-47.62	386.33	3.81	-43.81
CCCC(NC(=O)C1CN(CC2=CC=CC=C2)CCO1)C1=N[N-]N=N1	REAL000000002979	1	48	-1.0	-47.62	386.27	3.80	-43.82
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)NC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000002980	0	51	-1.0	-64.55	419.39	5.80	-58.75
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)NC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000002980	1	51	-1.0	-64.55	419.33	5.80	-58.75
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)NC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000002980	1	52	0.0	-18.57	415.58	5.48	-13.09
CCCC(NC(=O)C1=CN(CCC(C)C)N=N1)C1=NN=N[N-]1	REAL000000002981	0	43	-1.0	-45.76	357.56	2.88	-42.88
CCCC(NC(=O)C1=CN(CCC(C)C)N=N1)C1=N[N-]N=N1	REAL000000002981	1	43	-1.0	-45.76	357.50	2.88	-42.88
CCCC(NC(=O)C1=CN(CCC(C)C)N=N1)C1=NNN=N1	REAL000000002981	1	44	0.0	-9.95	353.75	2.55	-7.40
CCCC(NC(=O)CCN1C(=O)CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000002982	0	46	-1.0	-52.89	375.17	5.48	-47.42
CCCC(NC(=O)CCN1C(=O)CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000002982	1	46	-1.0	-52.90	375.11	5.47	-47.43
CCCC(NC(=O)CCN1C(=O)CCC2=CC=CC=C21)C1=NNN=N1	REAL000000002982	1	47	0.0	-11.42	371.31	5.15	-6.27
CCCC(NC(=O)C1=CC(NC(=O)NC(C)(C)C)=CC=C1Cl)C1=NN=N[N-]1	REAL000000002983	0	50	-1.0	-56.85	413.40	3.77	-53.08
CCCC(NC(=O)C1=CC(NC(=O)NC(C)(C)C)=CC=C1Cl)C1=N[N-]N=N1	REAL000000002983	1	50	-1.0	-56.85	413.34	3.76	-53.09
CCCC(NC(=O)C1=CC(NC(=O)NC(C)(C)C)=CC=C1Cl)C1=NNN=N1	REAL000000002983	1	51	0.0	-14.51	416.77	3.77	-10.74
CCCC(NC(=O)C1CCN(C2=CC=C(C(C)C)C=C2)C1=O)C1=NN=N[N-]1	REAL000000002984	0	52	-1.0	-46.60	412.50	6.68	-39.92
CCCC(NC(=O)C1CCN(C2=CC=C(C(C)C)C=C2)C1=O)C1=N[N-]N=N1	REAL000000002984	1	52	-1.0	-46.60	412.44	6.68	-39.92
CCCC(NC(=O)C1CCN(C2=CC=C(C(C)C)C=C2)C1=O)C1=NNN=N1	REAL000000002984	1	53	0.0	-11.86	408.36	6.40	-5.46
CCCC(NC(=O)C1=CC=CC(NC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000002985	0	44	-1.0	-51.60	365.23	5.97	-45.63
CCCC(NC(=O)C1=CC=CC(NC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000002985	1	44	-1.0	-51.60	365.17	5.97	-45.63
CCCC(NC(=O)C1=CC=CC(NC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000002985	1	45	0.0	-13.74	369.07	5.99	-7.74
CCCC(NC(=O)CN(CC1=CC=CN=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002986	0	49	-1.0	-47.11	401.45	6.50	-40.61
CCCC(NC(=O)CN(CC1=CC=CN=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002986	1	49	-1.0	-47.10	401.39	6.50	-40.60
CCCC(NC(=O)CN(CC1=CC=CN=C1)C1=CC=CC=C1)C1=NNN=N1	REAL000000002986	1	50	0.0	-12.12	397.64	6.18	-5.93
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000002987	0	48	-1.0	-51.36	416.37	5.10	-46.26
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000002987	1	48	-1.0	-51.36	416.32	5.09	-46.27
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000002987	1	49	0.0	-19.18	419.75	5.11	-14.07
CCCC(NC(=O)C1CCCN(C(=O)NCC(C)C)C1)C1=NN=N[N-]1	REAL000000002988	0	53	-1.0	-48.87	411.78	3.97	-44.90
CCCC(NC(=O)C1CCCN(C(=O)NCC(C)C)C1)C1=N[N-]N=N1	REAL000000002988	1	53	-1.0	-48.87	411.72	3.97	-44.90
CCCC(NC(=O)C1CCCN(C(=O)NCC(C)C)C1)C1=NNN=N1	REAL000000002988	1	54	0.0	-13.10	415.15	3.98	-9.11
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC([N+](=O)[O-])=C1C)C1=NN=N[N-]1	REAL000000002989	0	42	-1.0	-46.71	366.89	-0.21	-46.92
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC([N+](=O)[O-])=C1C)C1=N[N-]N=N1	REAL000000002989	1	42	-1.0	-46.69	366.83	-0.21	-46.90
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC([N+](=O)[O-])=C1C)C1=NNN=N1	REAL000000002989	1	43	0.0	-17.48	370.21	-0.20	-17.68
CCCC(NC(=O)C1=CC(N2CCOC2=O)=CC=C1F)C1=NN=N[N-]1	REAL000000002991	0	41	-1.0	-61.58	347.56	3.81	-57.78
CCCC(NC(=O)C1=CC(N2CCOC2=O)=CC=C1F)C1=N[N-]N=N1	REAL000000002991	1	41	-1.0	-61.58	347.51	3.80	-57.78
CCCC(NC(=O)C1=CC(N2CCOC2=O)=CC=C1F)C1=NNN=N1	REAL000000002991	1	42	0.0	-18.94	343.77	3.48	-15.45
CCCC(NC(=O)CCC1=CNC2=C(C)C=CC=C12)C1=NN=N[N-]1	REAL000000002992	0	45	-1.0	-46.92	373.52	5.84	-41.08
CCCC(NC(=O)CCC1=CNC2=C(C)C=CC=C12)C1=N[N-]N=N1	REAL000000002992	1	45	-1.0	-46.92	373.46	5.84	-41.08
CCCC(NC(=O)CCC1=CNC2=C(C)C=CC=C12)C1=NNN=N1	REAL000000002992	1	46	0.0	-13.14	376.89	5.85	-7.29
CCCC(NC(=O)C1=CN=C(N2CCN(C)CC2)S1)C1=NN=N[N-]1	REAL000000002993	0	45	-1.0	-45.55	374.70	0.77	-44.78
CCCC(NC(=O)C1=CN=C(N2CCN(C)CC2)S1)C1=N[N-]N=N1	REAL000000002993	1	45	-1.0	-45.54	374.64	0.76	-44.78
CCCC(NC(=O)C1=CC=C(CNC(=O)C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000002994	0	51	-1.0	-48.39	415.27	4.71	-43.68
CCCC(NC(=O)C1=CC=C(CNC(=O)C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000002994	1	51	-1.0	-48.39	415.21	4.70	-43.69
CCCC(NC(=O)C1=CC=C(CNC(=O)C(C)(C)C)C=C1)C1=NNN=N1	REAL000000002994	1	52	0.0	-15.25	418.65	4.72	-10.52
CCCCCCCCOCC(=O)NC(CCC)C1=NN=N[N-]1	REAL000000002995	0	50	-1.0	-47.82	402.53	6.38	-41.44
CCCCCCCCOCC(=O)NC(CCC)C1=N[N-]N=N1	REAL000000002995	1	50	-1.0	-47.82	402.47	6.38	-41.44
CCCCCCCCOCC(=O)NC(CCC)C1=NNN=N1	REAL000000002995	1	51	0.0	-12.59	405.91	6.39	-6.20
CCCC(NC(=O)C1=CC=C(CNS(=O)(=O)CC)C=C1)C1=NN=N[N-]1	REAL000000002996	0	46	-1.0	-55.44	395.74	1.34	-54.09
CCCC(NC(=O)C1=CC=C(CNS(=O)(=O)CC)C=C1)C1=N[N-]N=N1	REAL000000002996	1	46	-1.0	-55.43	395.69	1.35	-54.08
CCCC(NC(=O)C1=CC=C(CNS(=O)(=O)CC)C=C1)C1=NNN=N1	REAL000000002996	1	47	0.0	-19.04	399.12	1.35	-17.68
CCCC(NC(=O)CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C1=NN=N[N-]1	REAL000000002997	0	43	-1.0	-58.40	364.11	3.81	-54.60
CCCC(NC(=O)CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C1=N[N-]N=N1	REAL000000002997	1	43	-1.0	-58.40	364.05	3.81	-54.59
CCCC(NC(=O)CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C1=NNN=N1	REAL000000002997	1	44	0.0	-18.38	367.50	3.82	-14.56
CCCC(NC(=O)C1=CC=C(F)C(Br)=C1)C1=NN=N[N-]1	REAL000000002998	0	32	-1.0	-41.83	301.33	4.31	-37.52
CCCC(NC(=O)C1=CC=C(F)C(Br)=C1)C1=N[N-]N=N1	REAL000000002998	1	32	-1.0	-41.83	301.27	4.31	-37.52
CCCC(NC(=O)C1=CC=C(F)C(Br)=C1)C1=NNN=N1	REAL000000002998	1	33	0.0	-9.09	304.71	4.32	-4.77
CCCC(NC(=O)COC1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000002999	0	36	-1.0	-46.10	341.36	5.24	-40.86
CCCC(NC(=O)COC1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000002999	1	36	-1.0	-46.10	341.30	5.24	-40.86
CCCC(NC(=O)COC1=CC(Cl)=CC(Cl)=C1)C1=NNN=N1	REAL000000002999	1	37	0.0	-9.52	337.51	4.82	-4.69
CCCC(NC(=O)C1=CC=CC(C2=CSC(C)=N2)=C1)C1=NN=N[N-]1	REAL000000003000	0	41	-1.0	-55.29	358.86	5.09	-50.20
CCCC(NC(=O)C1=CC=CC(C2=CSC(C)=N2)=C1)C1=N[N-]N=N1	REAL000000003000	1	41	-1.0	-55.29	358.81	5.08	-50.21
CCCC(NC(=O)C1=CC=CC(C2=CSC(C)=N2)=C1)C1=NNN=N1	REAL000000003000	1	42	0.0	-17.11	362.24	5.10	-12.01
CCCC(NC(=O)CCN1C(=O)C2C3CCC(O3)C2C1=O)C1=NN=N[N-]1	REAL000000003001	0	47	-1.0	-53.70	383.83	2.07	-51.63
CCCC(NC(=O)CCN1C(=O)C2C3CCC(O3)C2C1=O)C1=N[N-]N=N1	REAL000000003001	1	47	-1.0	-53.70	383.78	2.06	-51.63
CCCC(NC(=O)CCN1C(=O)C2C3CCC(O3)C2C1=O)C1=NNN=N1	REAL000000003001	1	48	0.0	-16.47	387.21	2.08	-14.39
CCCC(NC(=O)C1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1)C1=NN=N[N-]1	REAL000000003002	0	42	-1.0	-47.65	367.42	7.28	-40.37
CCCC(NC(=O)C1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1)C1=N[N-]N=N1	REAL000000003002	1	42	-1.0	-47.65	367.36	7.27	-40.37
CCCC(NC(=O)C1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1)C1=NNN=N1	REAL000000003002	1	43	0.0	-14.03	370.80	7.29	-6.74
CCCC(NC(=O)C1CCCN(C(=O)NC2CCCC2)C1)C1=NN=N[N-]1	REAL000000003003	0	54	-1.0	-50.48	415.52	4.61	-45.87
CCCC(NC(=O)C1CCCN(C(=O)NC2CCCC2)C1)C1=N[N-]N=N1	REAL000000003003	1	54	-1.0	-50.49	415.46	4.60	-45.89
CCCC(NC(=O)C1CCCN(C(=O)NC2CCCC2)C1)C1=NNN=N1	REAL000000003003	1	55	0.0	-13.21	418.87	4.63	-8.59
CCCC(NC(=O)C1=CN(CC2=CC=CC=N2)N=N1)C1=NN=N[N-]1	REAL000000003004	0	40	-1.0	-50.13	351.56	2.00	-48.13
CCCC(NC(=O)C1=CN(CC2=CC=CC=N2)N=N1)C1=N[N-]N=N1	REAL000000003004	1	40	-1.0	-50.13	351.50	1.99	-48.14
CCCC(NC(=O)C1=CN(CC2=CC=CC=N2)N=N1)C1=NNN=N1	REAL000000003004	1	41	0.0	-15.36	354.93	2.01	-13.35
CCCC(NC(=O)C1=CC2=CC(C)=C(C)C=C2O1)C1=NN=N[N-]1	REAL000000003005	0	41	-1.0	-45.66	344.53	5.27	-40.38
CCCC(NC(=O)C1=CC2=CC(C)=C(C)C=C2O1)C1=N[N-]N=N1	REAL000000003005	1	41	-1.0	-45.66	344.47	5.26	-40.40
CCCC(NC(=O)C1=CC2=CC(C)=C(C)C=C2O1)C1=NNN=N1	REAL000000003005	1	42	0.0	-10.09	347.93	5.28	-4.80
CCCC(NC(=O)C1=CC(NC(C)=O)=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL000000003006	0	47	-1.0	-55.28	392.03	2.02	-53.26
CCCC(NC(=O)C1=CC(NC(C)=O)=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL000000003006	1	47	-1.0	-55.28	391.98	2.01	-53.27
CCCC(NC(=O)C1=CC(NC(C)=O)=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000003006	1	48	0.0	-19.00	395.41	2.02	-16.98
CCCC(NC(=O)C(C)CCC1=CC=CC=C1F)C1=NN=N[N-]1	REAL000000003007	0	44	-1.0	-47.44	363.62	6.48	-40.96
CCCC(NC(=O)C(C)CCC1=CC=CC=C1F)C1=N[N-]N=N1	REAL000000003007	1	44	-1.0	-47.44	363.56	6.48	-40.96
CCCC(NC(=O)C(C)CCC1=CC=CC=C1F)C1=NNN=N1	REAL000000003007	1	45	0.0	-13.36	367.00	6.49	-6.87
CCCC(NC(=O)C(C)C1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL000000003008	0	41	-1.0	-43.90	347.75	5.68	-38.22
CCCC(NC(=O)C(C)C1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL000000003008	1	41	-1.0	-43.91	347.69	5.68	-38.23
CCCC(NC(=O)C(C)C1=CC=CC=C1C(F)(F)F)C1=NNN=N1	REAL000000003008	1	42	0.0	-7.82	343.95	5.36	-2.45
CCCC(NC(=O)C(C)NC(=O)C1=CC2=C(S1)N(C)N=C2C)C1=NN=N[N-]1	REAL000000003009	0	48	-1.0	-48.05	416.52	2.70	-45.36
CCCC(NC(=O)C(C)NC(=O)C1=CC2=C(S1)N(C)N=C2C)C1=N[N-]N=N1	REAL000000003009	1	48	-1.0	-48.05	416.46	2.69	-45.36
CCCC(NC(=O)C(C)NC(=O)C1=CC2=C(S1)N(C)N=C2C)C1=NNN=N1	REAL000000003009	1	49	0.0	-12.07	412.71	2.37	-9.70
CCCC(NC(=O)C(C)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL000000003010	0	38	-1.0	-42.16	326.36	4.97	-37.19
CCCC(NC(=O)C(C)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL000000003010	1	38	-1.0	-42.16	326.29	4.97	-37.19
CCCC(NC(=O)C(C)C1=CC=C(F)C=C1F)C1=NNN=N1	REAL000000003010	1	39	0.0	-9.27	329.74	4.98	-4.28
CCCC(NC(=O)C1CCN(C2=CC=CC(Cl)=C2)C1=O)C1=NN=N[N-]1	REAL000000003011	0	43	-1.0	-51.71	367.96	5.31	-46.40
CCCC(NC(=O)C1CCN(C2=CC=CC(Cl)=C2)C1=O)C1=N[N-]N=N1	REAL000000003011	1	43	-1.0	-51.72	367.90	5.31	-46.41
CCCC(NC(=O)C1CCN(C2=CC=CC(Cl)=C2)C1=O)C1=NNN=N1	REAL000000003011	1	44	0.0	-16.19	371.32	5.32	-10.88
CCCC(NC(=O)C1=CN(C2=CC=C(Cl)C=C2)N=C1C)C1=NN=N[N-]1	REAL000000003012	0	42	-1.0	-47.05	370.15	5.91	-41.14
CCCC(NC(=O)C1=CN(C2=CC=C(Cl)C=C2)N=C1C)C1=N[N-]N=N1	REAL000000003012	1	42	-1.0	-47.05	370.09	5.91	-41.13
CCCC(NC(=O)C1=CN(C2=CC=C(Cl)C=C2)N=C1C)C1=NNN=N1	REAL000000003012	1	43	0.0	-14.09	373.53	5.92	-8.18
CCCC(NC(=O)C(C)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL000000003013	0	38	-1.0	-46.10	327.62	5.01	-41.09
CCCC(NC(=O)C(C)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL000000003013	1	38	-1.0	-46.09	327.56	5.00	-41.09
CCCC(NC(=O)C(C)C1=CC=C(F)C(F)=C1)C1=NNN=N1	REAL000000003013	1	39	0.0	-11.21	323.76	4.69	-6.51
CCCC1=NC(C(=O)NC(CCC)C2=NN=N[N-]2)=NN1C1=CC=CC=C1F	REAL000000003014	0	47	-1.0	-59.11	399.54	6.65	-52.45
CCCC1=NC(C(=O)NC(CCC)C2=N[N-]N=N2)=NN1C1=CC=CC=C1F	REAL000000003014	1	47	-1.0	-59.11	399.48	6.65	-52.46
CCCC1=NC(C(=O)NC(CCC)C2=NNN=N2)=NN1C1=CC=CC=C1F	REAL000000003014	1	48	0.0	-18.88	402.92	6.67	-12.21
CCCC(NC(=O)C1CN(C(=O)C(C)(C)C)CCO1)C1=NN=N[N-]1	REAL000000003015	0	49	-1.0	-52.80	379.28	2.97	-49.83
CCCC(NC(=O)C1CN(C(=O)C(C)(C)C)CCO1)C1=N[N-]N=N1	REAL000000003015	1	49	-1.0	-52.80	379.22	2.97	-49.83
CCCC(NC(=O)C1CN(C(=O)C(C)(C)C)CCO1)C1=NNN=N1	REAL000000003015	1	50	0.0	-15.63	382.66	2.98	-12.65
CCCC(NC(=O)C(C)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000003016	0	38	-1.0	-44.68	331.64	5.38	-39.30
CCCC(NC(=O)C(C)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000003016	1	38	-1.0	-44.68	331.58	5.39	-39.29
CCCC(NC(=O)C(C)C1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000003016	1	39	0.0	-10.46	334.98	5.40	-5.07
CCCC(NC(=O)C1=CC=C(C2=CC=C(C(C)(C)C)C=C2)O1)C1=NN=N[N-]1	REAL000000003017	0	51	-1.0	-45.66	414.15	7.73	-37.93
CCCC(NC(=O)C1=CC=C(C2=CC=C(C(C)(C)C)C=C2)O1)C1=N[N-]N=N1	REAL000000003017	1	51	-1.0	-45.66	414.09	7.72	-37.94
CCCC(NC(=O)C1=CC=C(C2=CC=C(C(C)(C)C)C=C2)O1)C1=NNN=N1	REAL000000003017	1	52	0.0	-7.66	410.35	7.41	-0.26
CCCC(NC(=O)C1=CC=C(C2=CC=C(CC)C=C2)O1)C1=NN=N[N-]1	REAL000000003018	0	45	-1.0	-45.91	380.93	6.83	-39.08
CCCC(NC(=O)C1=CC=C(C2=CC=C(CC)C=C2)O1)C1=N[N-]N=N1	REAL000000003018	1	45	-1.0	-45.91	380.87	6.82	-39.09
CCCC(NC(=O)C1=CC=C(C2=CC=C(CC)C=C2)O1)C1=NNN=N1	REAL000000003018	1	46	0.0	-9.96	384.30	6.84	-3.12
CCCC(NC(=O)C1=CC=C(OC2CCC2)C=C1)C1=NN=N[N-]1	REAL000000003019	0	43	-1.0	-46.27	352.23	5.26	-41.01
CCCC(NC(=O)C1=CC=C(OC2CCC2)C=C1)C1=N[N-]N=N1	REAL000000003019	1	43	-1.0	-46.27	352.17	5.26	-41.01
CCCC(NC(=O)C1=CC=C(OC2CCC2)C=C1)C1=NNN=N1	REAL000000003019	1	44	0.0	-10.82	355.60	5.27	-5.55
CCCC(NC(=O)C1=CC(Br)=CC=C1C)C1=NN=N[N-]1	REAL000000003020	0	35	-1.0	-43.67	311.72	4.95	-38.72
CCCC(NC(=O)C1=CC(Br)=CC=C1C)C1=N[N-]N=N1	REAL000000003020	1	35	-1.0	-43.67	311.66	4.95	-38.72
CCCC(NC(=O)C1=CC(Br)=CC=C1C)C1=NNN=N1	REAL000000003020	1	36	0.0	-8.44	315.10	4.96	-3.48
CCCC(NC(=O)C=CC1=CN(C)C2=CC=CC=C12)C1=NN=N[N-]1	REAL000000003021	0	43	-1.0	-52.81	363.71	6.62	-46.18
CCCC(NC(=O)C=CC1=CN(C)C2=CC=CC=C12)C1=N[N-]N=N1	REAL000000003021	1	43	-1.0	-52.82	363.66	6.62	-46.20
CCCC(NC(=O)C=CC1=CN(C)C2=CC=CC=C12)C1=NNN=N1	REAL000000003021	1	44	0.0	-15.62	367.09	6.63	-8.99
CCCC(NC(=O)C1=CN=C2C=CSC2=C1)C1=NN=N[N-]1	REAL000000003022	0	34	-1.0	-46.10	306.02	3.09	-43.01
CCCC(NC(=O)C1=CN=C2C=CSC2=C1)C1=N[N-]N=N1	REAL000000003022	1	34	-1.0	-46.10	305.96	3.08	-43.02
CCCC(NC(=O)C1=CN=C2C=CSC2=C1)C1=NNN=N1	REAL000000003022	1	35	0.0	-11.74	309.40	3.10	-8.64
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CC(N)=O)C=C1)C1=NN=N[N-]1	REAL000000003023	0	42	-1.0	-57.61	372.48	-1.85	-59.46
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CC(N)=O)C=C1)C1=N[N-]N=N1	REAL000000003023	1	42	-1.0	-57.59	372.42	-1.85	-59.44
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CC(N)=O)C=C1)C1=NNN=N1	REAL000000003023	1	43	0.0	-27.23	375.85	-1.84	-29.07
CCCC(NC(=O)COC1=CC=C(C=O)C=C1Br)C1=NN=N[N-]1	REAL000000003024	0	38	-1.0	-56.63	351.47	4.60	-52.03
CCCC(NC(=O)COC1=CC=C(C=O)C=C1Br)C1=N[N-]N=N1	REAL000000003024	1	38	-1.0	-56.62	351.42	4.60	-52.02
CCCC(NC(=O)COC1=CC=C(C=O)C=C1Br)C1=NNN=N1	REAL000000003024	1	39	0.0	-19.01	347.63	4.19	-14.83
CCCC(NC(=O)C1=CC(C2=CC=CC=N2)=NO1)C1=NN=N[N-]1	REAL000000003025	0	37	-1.0	-45.24	329.50	2.91	-42.33
CCCC(NC(=O)C1=CC(C2=CC=CC=N2)=NO1)C1=N[N-]N=N1	REAL000000003025	1	37	-1.0	-45.24	329.44	2.90	-42.34
CCCC(NC(=O)C1=CC(C2=CC=CC=N2)=NO1)C1=NNN=N1	REAL000000003025	1	38	0.0	-9.48	325.69	2.59	-6.89
CCCC(NC(=O)C1=CN(CC(=O)C(C)(C)C)N=N1)C1=NN=N[N-]1	REAL000000003026	0	45	-1.0	-52.76	376.90	2.70	-50.06
CCCC(NC(=O)C1=CN(CC(=O)C(C)(C)C)N=N1)C1=N[N-]N=N1	REAL000000003026	1	45	-1.0	-52.77	376.84	2.69	-50.08
CCCC(NC(=O)C1=CN(CC(=O)C(C)(C)C)N=N1)C1=NNN=N1	REAL000000003026	1	46	0.0	-19.09	380.27	2.71	-16.38
CCCC(NC(=O)CNS(=O)(=O)C1=CNC(C(N)=O)=C1)C1=NN=N[N-]1	REAL000000003027	0	42	-1.0	-61.72	376.96	-5.45	-67.18
CCCC(NC(=O)CNS(=O)(=O)C1=CNC(C(N)=O)=C1)C1=N[N-]N=N1	REAL000000003027	1	42	-1.0	-61.72	376.90	-5.45	-67.17
CCCC(NC(=O)CNS(=O)(=O)C1=CNC(C(N)=O)=C1)C1=NNN=N1	REAL000000003027	1	43	0.0	-24.77	373.14	-5.77	-30.54
CCCC(NC(=O)C1CCSC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000003028	0	40	-1.0	-47.12	335.88	5.86	-41.26
CCCC(NC(=O)C1CCSC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000003028	1	40	-1.0	-47.12	335.83	5.85	-41.27
CCCC(NC(=O)C1CCSC2=CC=CC=C21)C1=NNN=N1	REAL000000003028	1	41	0.0	-11.52	339.26	5.87	-5.65
CCCC(NC(=O)CN(CC1CCCO1)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000003029	0	56	-1.0	-48.98	441.02	5.01	-43.98
CCCC(NC(=O)CN(CC1CCCO1)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000003029	1	56	-1.0	-48.98	440.96	5.00	-43.98
CCCC(NC(=O)CN(CC1CCCO1)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003029	1	57	0.0	-16.43	438.82	4.91	-11.52
CCCC(NC(=O)CC1=NN(C2=CC=C(F)C=C2)C=C1)C1=NN=N[N-]1	REAL000000003030	0	42	-1.0	-57.71	363.45	5.56	-52.15
CCCC(NC(=O)CC1=NN(C2=CC=C(F)C=C2)C=C1)C1=N[N-]N=N1	REAL000000003030	1	42	-1.0	-57.72	363.40	5.55	-52.17
CCCC(NC(=O)CC1=NN(C2=CC=C(F)C=C2)C=C1)C1=NNN=N1	REAL000000003030	1	43	0.0	-14.22	359.67	5.23	-8.99
CCCC(NC(=O)CN(C)C1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000003031	0	42	-1.0	-60.45	354.70	5.13	-55.32
CCCC(NC(=O)CN(C)C1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000003031	1	42	-1.0	-60.44	354.64	5.13	-55.32
CCCC(NC(=O)CN(C)C1=CC=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000003031	1	43	0.0	-15.67	350.88	4.81	-10.85
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)N1C)C1=NN=N[N-]1	REAL000000003032	0	43	-1.0	-47.50	352.15	6.26	-41.24
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)N1C)C1=N[N-]N=N1	REAL000000003032	1	43	-1.0	-47.49	352.09	6.26	-41.23
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)N1C)C1=NNN=N1	REAL000000003032	1	44	0.0	-8.52	348.70	5.93	-2.59
CCCC(NC(=O)C1=CC=C(N2C=NC=N2)C(C)=C1)C1=NN=N[N-]1	REAL000000003033	0	41	-1.0	-48.10	348.49	7.19	-40.91
CCCC(NC(=O)C1=CC=C(N2C=NC=N2)C(C)=C1)C1=N[N-]N=N1	REAL000000003033	1	41	-1.0	-48.10	348.43	7.19	-40.92
CCCC(NC(=O)C1=CC=C(N2C=NC=N2)C(C)=C1)C1=NNN=N1	REAL000000003033	1	42	0.0	-16.64	346.50	7.12	-9.52
CCCC(NC(=O)C1=CC=C(N2C=NC=N2)C=C1C)C1=NN=N[N-]1	REAL000000003034	0	41	-1.0	-49.13	343.56	6.85	-42.28
CCCC(NC(=O)C1=CC=C(N2C=NC=N2)C=C1C)C1=N[N-]N=N1	REAL000000003034	1	41	-1.0	-49.13	343.50	6.85	-42.28
CCCC(NC(=O)C1=CC=C(N2C=NC=N2)C=C1C)C1=NNN=N1	REAL000000003034	1	42	0.0	-16.07	346.99	6.86	-9.21
CCCC(NC(=O)C(C)N1N=NC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL000000003035	0	43	-1.0	-52.98	369.19	4.00	-48.98
CCCC(NC(=O)C(C)N1N=NC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL000000003035	1	43	-1.0	-52.98	369.14	3.99	-48.99
CCCC(NC(=O)C(C)N1N=NC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000003035	1	44	0.0	-18.67	372.57	4.00	-14.67
CCCC(NC(=O)C1=C2C=C(F)C=CC2=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL000000003036	0	44	-1.0	-47.83	366.59	6.13	-41.71
CCCC(NC(=O)C1=C2C=C(F)C=CC2=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL000000003036	1	44	-1.0	-47.82	366.53	6.12	-41.70
CCCC(NC(=O)C1=C2C=C(F)C=CC2=NC(C2CC2)=C1)C1=NNN=N1	REAL000000003036	1	45	0.0	-12.61	369.97	6.14	-6.46
CCCC(NC(=O)C1CC12CCC1=CC=CC=C12)C1=NN=N[N-]1	REAL000000003037	0	43	-1.0	-50.50	347.20	6.74	-43.76
CCCC(NC(=O)C1CC12CCC1=CC=CC=C12)C1=N[N-]N=N1	REAL000000003037	1	43	-1.0	-50.49	347.15	6.73	-43.76
CCCC(NC(=O)C1CC12CCC1=CC=CC=C12)C1=NNN=N1	REAL000000003037	1	44	0.0	-11.33	350.57	6.75	-4.57
CCCC(NC(=O)C1=CC=CC(OCCCOC)=C1)C1=NN=N[N-]1	REAL000000003038	0	46	-1.0	-51.67	380.86	3.76	-47.91
CCCC(NC(=O)C1=CC=CC(OCCCOC)=C1)C1=N[N-]N=N1	REAL000000003038	1	46	-1.0	-51.67	380.80	3.76	-47.91
CCCC(NC(=O)C1=CC=CC(OCCCOC)=C1)C1=NNN=N1	REAL000000003038	1	47	0.0	-15.19	384.24	3.77	-11.43
CCCC(NC(=O)C(C)CC1=C(C)N(C)N=C1C)C1=NN=N[N-]1	REAL000000003039	0	47	-1.0	-48.05	371.84	4.17	-43.88
CCCC(NC(=O)C(C)CC1=C(C)N(C)N=C1C)C1=N[N-]N=N1	REAL000000003039	1	47	-1.0	-48.04	371.78	4.17	-43.87
CCCC(NC(=O)C(C)CC1=C(C)N(C)N=C1C)C1=NNN=N1	REAL000000003039	1	48	0.0	-13.43	375.21	4.18	-9.25
CCCC(NC(=O)C1=CC2=CC=CC(F)=C2O1)C1=NN=N[N-]1	REAL000000003040	0	35	-1.0	-46.64	312.00	4.10	-42.54
CCCC(NC(=O)C1=CC2=CC=CC(F)=C2O1)C1=N[N-]N=N1	REAL000000003040	1	35	-1.0	-46.64	311.94	4.10	-42.54
CCCC(NC(=O)C1=CC2=CC=CC(F)=C2O1)C1=NNN=N1	REAL000000003040	1	36	0.0	-11.13	315.38	4.11	-7.02
CCCC(NC(=O)C1=CC=C(NC(=O)CC(C)C)C(C)=C1)C1=NN=N[N-]1	REAL000000003041	0	51	-1.0	-51.96	407.60	5.65	-46.31
CCCC(NC(=O)C1=CC=C(NC(=O)CC(C)C)C(C)=C1)C1=N[N-]N=N1	REAL000000003041	1	51	-1.0	-51.96	407.54	5.64	-46.32
CCCC(NC(=O)C1=CC=C(NC(=O)CC(C)C)C(C)=C1)C1=NNN=N1	REAL000000003041	1	52	0.0	-14.14	410.98	5.66	-8.48
CCCC(NC(=O)CNC1=C(C)C=CC=C1C)C1=NN=N[N-]1	REAL000000003042	0	43	-1.0	-44.40	351.52	4.12	-40.28
CCCC(NC(=O)CNC1=C(C)C=CC=C1C)C1=N[N-]N=N1	REAL000000003042	1	43	-1.0	-44.39	351.46	4.12	-40.27
CCCC(NC(=O)CNC1=C(C)C=CC=C1C)C1=NNN=N1	REAL000000003042	1	44	0.0	-7.53	347.71	3.81	-3.72
CCCC(NC(=O)C1=CC(OC)=C(OC(F)F)C(OC)=C1)C1=NN=N[N-]1	REAL000000003043	0	44	-1.0	-47.79	375.86	3.22	-44.57
CCCC(NC(=O)C1=CC(OC)=C(OC(F)F)C(OC)=C1)C1=N[N-]N=N1	REAL000000003043	1	44	-1.0	-47.78	375.81	3.23	-44.55
CCCC(NC(=O)C1=CC(OC)=C(OC(F)F)C(OC)=C1)C1=NNN=N1	REAL000000003043	1	45	0.0	-15.04	379.24	3.24	-11.81
CCCC(NC(=O)C1CCN(C(=O)C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL000000003044	0	49	-1.0	-55.54	391.01	5.46	-50.08
CCCC(NC(=O)C1CCN(C(=O)C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL000000003044	1	49	-1.0	-55.53	390.96	5.45	-50.09
CCCC(NC(=O)C1CCN(C(=O)C2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000003044	1	50	0.0	-16.60	394.39	5.47	-11.13
CCCC(NC(=O)C1=CC=C(OC2CCOCC2)C=C1)C1=NN=N[N-]1	REAL000000003045	0	47	-1.0	-46.57	376.14	4.05	-42.52
CCCC(NC(=O)C1=CC=C(OC2CCOCC2)C=C1)C1=N[N-]N=N1	REAL000000003045	1	47	-1.0	-46.58	376.08	4.05	-42.53
CCCC(NC(=O)C1=CC=C(OC2CCOCC2)C=C1)C1=NNN=N1	REAL000000003045	1	48	0.0	-11.82	379.52	4.06	-7.76
CCCC(NC(=O)C1=CC=C(OC)C(N2CCNC2=O)=C1)C1=NN=N[N-]1	REAL000000003046	0	46	-1.0	-56.70	383.36	2.05	-54.64
CCCC(NC(=O)C1=CC=C(OC)C(N2CCNC2=O)=C1)C1=N[N-]N=N1	REAL000000003046	1	46	-1.0	-56.69	383.30	2.05	-54.64
CCCC(NC(=O)C1=CC=C(OC)C(N2CCNC2=O)=C1)C1=NNN=N1	REAL000000003046	1	47	0.0	-22.04	386.73	2.06	-19.97
CCCC(NC(=O)C1=CC=C(NC(=O)CC(C)C)C(F)=C1)C1=NN=N[N-]1	REAL000000003047	0	48	-1.0	-48.82	394.74	4.86	-43.95
CCCC(NC(=O)C1=CC=C(NC(=O)CC(C)C)C(F)=C1)C1=N[N-]N=N1	REAL000000003047	1	48	-1.0	-48.81	394.68	4.86	-43.95
CCCC(NC(=O)C1=CC=C(NC(=O)CC(C)C)C(F)=C1)C1=NNN=N1	REAL000000003047	1	49	0.0	-10.22	390.93	4.54	-5.68
CCCC(NC(=O)C1=CNC(=O)C(Br)=C1)C1=NN=N[N-]1	REAL000000003048	0	32	-1.0	-44.50	299.48	1.21	-43.29
CCCC(NC(=O)C1=CNC(=O)C(Br)=C1)C1=N[N-]N=N1	REAL000000003048	1	32	-1.0	-44.49	299.42	1.20	-43.29
CCCC(NC(=O)C1=CNC(=O)C(Br)=C1)C1=NNN=N1	REAL000000003048	1	33	0.0	-12.55	295.66	0.89	-11.66
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CC(=O)N(C)C)C=C1)C1=NN=N[N-]1	REAL000000003049	0	48	-1.0	-56.90	411.77	1.64	-55.26
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CC(=O)N(C)C)C=C1)C1=N[N-]N=N1	REAL000000003049	1	48	-1.0	-56.88	411.71	1.64	-55.25
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CC(=O)N(C)C)C=C1)C1=NNN=N1	REAL000000003049	1	49	0.0	-26.96	415.15	1.65	-25.31
CCCC(NC(=O)C=CC1=CC(Br)=CS1)C1=NN=N[N-]1	REAL000000003050	0	33	-1.0	-44.75	320.59	4.56	-40.19
CCCC(NC(=O)C=CC1=CC(Br)=CS1)C1=N[N-]N=N1	REAL000000003050	1	33	-1.0	-44.74	320.54	4.55	-40.20
CCCC(NC(=O)C=CC1=CC(Br)=CS1)C1=NNN=N1	REAL000000003050	1	34	0.0	-10.04	323.97	4.57	-5.47
CCCC(NC(=O)C1=CC=CC(C2=CSC=N2)=C1)C1=NN=N[N-]1	REAL000000003051	0	38	-1.0	-55.00	336.86	4.37	-50.63
CCCC(NC(=O)C1=CC=CC(C2=CSC=N2)=C1)C1=N[N-]N=N1	REAL000000003051	1	38	-1.0	-54.99	336.81	4.37	-50.62
CCCC(NC(=O)C1=CC=CC(C2=CSC=N2)=C1)C1=NNN=N1	REAL000000003051	1	39	0.0	-16.94	340.30	4.37	-12.57
CCCC(NC(=O)C1=C(C)N=C(C2CCCC2)S1)C1=NN=N[N-]1	REAL000000003052	0	44	-1.0	-44.64	365.66	4.81	-39.83
CCCC(NC(=O)C1=C(C)N=C(C2CCCC2)S1)C1=N[N-]N=N1	REAL000000003052	1	44	-1.0	-44.64	365.60	4.80	-39.84
CCCC(NC(=O)C1=C(C)N=C(C2CCCC2)S1)C1=NNN=N1	REAL000000003052	1	45	0.0	-9.82	369.05	4.82	-5.00
CCCC(NC(=O)C1CC12CCCC1=CC=CC=C12)C1=NN=N[N-]1	REAL000000003053	0	46	-1.0	-52.19	353.20	6.76	-45.43
CCCC(NC(=O)C1CC12CCCC1=CC=CC=C12)C1=N[N-]N=N1	REAL000000003053	1	46	-1.0	-52.20	353.14	6.75	-45.45
CCCC(NC(=O)C1CC12CCCC1=CC=CC=C12)C1=NNN=N1	REAL000000003053	1	47	0.0	-9.69	365.73	7.21	-2.47
CCCC(NC(=O)C(C)CC(=O)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL000000003054	0	43	-1.0	-46.45	360.50	5.66	-40.80
CCCC(NC(=O)C(C)CC(=O)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL000000003054	1	43	-1.0	-46.45	360.44	5.66	-40.79
CCCC(NC(=O)C(C)CC(=O)C1=CC=CC=C1F)C1=NNN=N1	REAL000000003054	1	44	0.0	-13.14	363.88	5.67	-7.48
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C1=NN=N[N-]1	REAL000000003055	0	40	-2.0	-102.25	346.56	1.30	-100.95
CCCC(NC(=O)C1=CC(C2=CC=CC=C2O)=NN1)C1=NN=N[N-]1	REAL000000003056	0	40	-1.0	-46.16	344.60	1.12	-45.04
CCCC(NC(=O)C1=CC(C2=CC=CC=C2O)=NN1)C1=N[N-]N=N1	REAL000000003056	1	40	-1.0	-46.15	344.54	1.11	-45.04
CCCC(NC(=O)C1=CC(C2=CC=CC=C2O)=NN1)C1=NNN=N1	REAL000000003056	1	41	0.0	-13.40	347.97	1.13	-12.28
CCCC(NC(=O)C1=CC(=O)N(C2=NC(C)=CC(C)=N2)[N-]1)C1=NN=N[N-]1	REAL000000003059	0	43	-2.0	-108.31	378.10	4.37	-103.94
CCCC(NC(=O)C1=CC(=O)N(C2=NC(C)=CC(C)=N2)[N-]1)C1=N[N-]N=N1	REAL000000003059	1	43	-2.0	-108.33	378.04	4.37	-103.96
CCCC(NC(=O)C1=CC(=O)N(C2=NC(C)=CC(C)=N2)[N-]1)C1=NNN=N1	REAL000000003059	1	44	-1.0	-55.06	381.47	4.38	-50.69
CCCC(NC(=O)C1=CN=C2C=CC(Br)=CC2=C1O)C1=NN=N[N-]1	REAL000000003060	0	38	-1.0	-46.53	344.85	3.19	-43.34
CCCC(NC(=O)C1=CN=C2C=CC(Br)=CC2=C1O)C1=N[N-]N=N1	REAL000000003060	1	38	-1.0	-46.53	344.79	3.18	-43.35
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C=C1[O-])C1=NN=N[N-]1	REAL000000003061	0	39	-2.0	-124.61	347.05	3.04	-121.57
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C=C1[O-])C1=N[N-]N=N1	REAL000000003061	1	39	-2.0	-124.62	346.99	3.05	-121.58
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C=C1[O-])C1=NNN=N1	REAL000000003061	1	40	-1.0	-63.56	350.43	3.05	-60.51
CCCC(NC(=O)C1=CN=C2C(OC(F)(F)F)=CC=CC2=C1O)C1=NN=N[N-]1	REAL000000003062	0	42	-1.0	-47.91	369.38	2.44	-45.48
CCCC(NC(=O)C1=CN=C2C(OC(F)(F)F)=CC=CC2=C1O)C1=N[N-]N=N1	REAL000000003062	1	42	-1.0	-47.92	369.32	2.44	-45.48
CCCC(NC(=O)C1=CN=C2C(OC(F)(F)F)=CC=CC2=C1O)C1=NNN=N1	REAL000000003062	1	43	0.0	-11.11	365.55	2.01	-9.10
CCCC(NC(=O)C1=CN=C2C(C)=CC(F)=CC2=C1O)C1=NN=N[N-]1	REAL000000003063	0	41	-1.0	-47.03	350.05	3.49	-43.54
CCCC(NC(=O)C1=CN=C2C(C)=CC(F)=CC2=C1O)C1=N[N-]N=N1	REAL000000003063	1	41	-1.0	-47.03	349.99	3.48	-43.55
CCCC(NC(=O)C1=CN=C2C(C)=CC(F)=CC2=C1O)C1=NNN=N1	REAL000000003063	1	42	0.0	-12.64	353.43	3.50	-9.14
CCCC(NC(=O)C(C)C1=CC=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL000000003064	0	46	-1.0	-48.69	373.64	4.10	-44.59
CCCC(NC(=O)C(C)C1=CC=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL000000003064	1	46	-1.0	-48.69	373.59	4.09	-44.59
CCCC(NC(=O)C(C)C1=CC=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000003064	1	47	0.0	-14.66	376.98	4.12	-10.54
CCCC(NC(=O)C1=CC=C(N2C=C(Br)C=N2)N=N1)C1=NN=N[N-]1	REAL000000003065	0	37	-1.0	-42.96	349.12	3.63	-39.33
CCCC(NC(=O)C1=CC=C(N2C=C(Br)C=N2)N=N1)C1=N[N-]N=N1	REAL000000003065	1	37	-1.0	-42.97	349.06	3.62	-39.34
CCCC(NC(=O)C1=CC=C(N2C=C(Br)C=N2)N=N1)C1=NNN=N1	REAL000000003065	1	38	0.0	-8.31	345.32	3.31	-5.01
CCCC(NC(=O)CC1=CC=C(NC(=O)C2CC2)C=C1)C1=NN=N[N-]1	REAL000000003066	0	46	-1.0	-54.04	386.17	4.81	-49.23
CCCC(NC(=O)CC1=CC=C(NC(=O)C2CC2)C=C1)C1=N[N-]N=N1	REAL000000003066	1	46	-1.0	-54.03	386.11	4.80	-49.23
CCCC(NC(=O)CC1=CC=C(NC(=O)C2CC2)C=C1)C1=NNN=N1	REAL000000003066	1	47	0.0	-16.80	389.55	4.82	-11.98
CCCC(NC(=O)C1CC2=CC(C)=C(C)C=C2O1)C1=NN=N[N-]1	REAL000000003067	0	43	-1.0	-49.97	352.71	5.77	-44.20
CCCC(NC(=O)C1CC2=CC(C)=C(C)C=C2O1)C1=N[N-]N=N1	REAL000000003067	1	43	-1.0	-49.97	352.65	5.76	-44.21
CCCC(NC(=O)C1CC2=CC(C)=C(C)C=C2O1)C1=NNN=N1	REAL000000003067	1	44	0.0	-15.29	355.40	5.75	-9.54
CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1N)C1=NN=N[N-]1	REAL000000003068	0	36	-1.0	-46.32	308.72	2.72	-43.60
CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1N)C1=N[N-]N=N1	REAL000000003068	1	36	-1.0	-46.32	308.67	2.72	-43.60
CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1N)C1=NNN=N1	REAL000000003068	1	37	0.0	-11.11	304.93	2.40	-8.70
CCCC(NC(=O)C1=C(C)N(C2=CC(C)=CC(C)=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000003069	0	52	-1.0	-49.32	423.78	8.94	-40.38
CCCC(NC(=O)C1=C(C)N(C2=CC(C)=CC(C)=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000003069	1	52	-1.0	-49.32	423.72	8.93	-40.39
CCCC(NC(=O)C1=C(C)N(C2=CC(C)=CC(C)=C2)C(C)=C1)C1=NNN=N1	REAL000000003069	1	53	0.0	-11.45	427.15	8.95	-2.50
CCCC(NC(=O)C1CC1C1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL000000003070	0	39	-1.0	-56.10	338.72	5.77	-50.32
CCCC(NC(=O)C1CC1C1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL000000003070	1	39	-1.0	-56.09	338.66	5.77	-50.32
CCCC(NC(=O)C1CC1C1=CC=CC(F)=C1F)C1=NNN=N1	REAL000000003070	1	40	0.0	-17.85	342.10	5.78	-12.07
CCCC(NC(=O)CCCCC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000003071	0	44	-1.0	-45.30	380.10	7.20	-38.10
CCCC(NC(=O)CCCCC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000003071	1	44	-1.0	-45.30	380.04	7.20	-38.10
CCCC(NC(=O)CCCCC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000003071	1	45	0.0	-10.98	383.48	7.21	-3.77
CCCOC1=CC=C(CCC(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000003072	0	48	-1.0	-45.31	393.24	6.17	-39.15
CCCOC1=CC=C(CCC(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000003072	1	48	-1.0	-45.31	393.18	6.17	-39.14
CCCOC1=CC=C(CCC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000003072	1	49	0.0	-11.15	396.61	6.18	-4.97
CCCC(NC(=O)C(CC)OC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL000000003073	0	45	-1.0	-49.23	361.33	6.05	-43.18
CCCC(NC(=O)C(CC)OC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL000000003073	1	45	-1.0	-49.22	361.27	6.04	-43.19
CCCC(NC(=O)C(CC)OC1=CC=CC(C)=C1)C1=NNN=N1	REAL000000003073	1	46	0.0	-14.10	365.13	6.08	-8.02
CCCC(NC(=O)C=C(C)C1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000003074	0	42	-1.0	-44.29	367.94	6.65	-37.65
CCCC(NC(=O)C=C(C)C1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000003074	1	42	-1.0	-44.29	367.89	6.64	-37.65
CCCC(NC(=O)C=C(C)C1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000003074	1	43	0.0	-7.73	364.11	6.33	-1.40
CCCC(NC(=O)C1=CC=C(NC(=O)OCC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000003075	0	43	-1.0	-50.75	382.88	3.26	-47.49
CCCC(NC(=O)C1=CC=C(NC(=O)OCC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000003075	1	43	-1.0	-50.75	382.82	3.25	-47.50
CCCC(NC(=O)C1=CC=C(NC(=O)OCC(F)(F)F)C=C1)C1=NNN=N1	REAL000000003075	1	44	0.0	-15.81	386.25	3.27	-12.54
CCCC(NC(=O)CN1C(=O)C2C3CCC(O3)C2C1=O)C1=NN=N[N-]1	REAL000000003076	0	44	-1.0	-59.95	362.81	1.67	-58.28
CCCC(NC(=O)CN1C(=O)C2C3CCC(O3)C2C1=O)C1=N[N-]N=N1	REAL000000003076	1	44	-1.0	-59.95	362.75	1.67	-58.27
CCCC(NC(=O)CN1C(=O)C2C3CCC(O3)C2C1=O)C1=NNN=N1	REAL000000003076	1	45	0.0	-20.05	366.18	1.68	-18.37
CCCC(NC(=O)C1=CC=CC(CSC2=CC(C)=CC=C2C)=C1)C1=NN=N[N-]1	REAL000000003077	0	52	-1.0	-50.56	435.86	9.79	-40.77
CCCC(NC(=O)C1=CC=CC(CSC2=CC(C)=CC=C2C)=C1)C1=N[N-]N=N1	REAL000000003077	1	52	-1.0	-50.56	435.80	9.79	-40.76
CCCC(NC(=O)C1=CC=CC(CSC2=CC(C)=CC=C2C)=C1)C1=NNN=N1	REAL000000003077	1	53	0.0	-10.06	432.04	9.48	-0.58
CCCC(NC(=O)C1CCN(C(=O)C2=CC=C(CC)O2)CC1)C1=NN=N[N-]1	REAL000000003078	0	52	-1.0	-53.05	415.92	5.45	-47.60
CCCC(NC(=O)C1CCN(C(=O)C2=CC=C(CC)O2)CC1)C1=N[N-]N=N1	REAL000000003078	1	52	-1.0	-53.04	415.86	5.44	-47.60
CCCC(NC(=O)C1CCN(C(=O)C2=CC=C(CC)O2)CC1)C1=NNN=N1	REAL000000003078	1	53	0.0	-13.65	411.70	4.99	-8.65
CCCC(NC(=O)C1SCCC2=C1C=CS2)C1=NN=N[N-]1	REAL000000003079	0	37	-1.0	-47.83	328.66	4.74	-43.09
CCCC(NC(=O)C1SCCC2=C1C=CS2)C1=N[N-]N=N1	REAL000000003079	1	37	-1.0	-47.83	328.62	4.75	-43.08
CCCC(NC(=O)C1SCCC2=C1C=CS2)C1=NNN=N1	REAL000000003079	1	38	0.0	-11.34	332.04	4.75	-6.59
CCCC(NC(=O)CC(C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000003080	0	48	-1.0	-51.00	384.83	2.39	-48.61
CCCC(NC(=O)CC(C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000003080	1	48	-1.0	-51.00	384.78	2.38	-48.62
CCCC(NC(=O)CC(C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003080	1	49	0.0	-16.88	388.21	2.40	-14.48
CCCC(NC(=O)C1=CC(Br)=CN1C(C)C)C1=NN=N[N-]1	REAL000000003081	0	39	-1.0	-43.88	341.64	5.15	-38.73
CCCC(NC(=O)C1=CC(Br)=CN1C(C)C)C1=N[N-]N=N1	REAL000000003081	1	39	-1.0	-43.88	341.58	5.14	-38.74
CCCC(NC(=O)C1=CC(Br)=CN1C(C)C)C1=NNN=N1	REAL000000003081	1	40	0.0	-6.74	338.32	4.80	-1.94
CCCC(NC(=O)CN(CC1CC1)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000003082	0	52	-1.0	-56.39	413.65	5.84	-50.55
CCCC(NC(=O)CN(CC1CC1)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000003082	1	52	-1.0	-56.38	413.59	5.84	-50.54
CCCC(NC(=O)CN(CC1CC1)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003082	1	53	0.0	-11.44	409.83	5.53	-5.91
CCCC(NC(=O)CC(C)C1=CC=CC=C1Br)C1=NN=N[N-]1	REAL000000003083	0	41	-1.0	-47.92	351.50	6.06	-41.86
CCCC(NC(=O)CC(C)C1=CC=CC=C1Br)C1=N[N-]N=N1	REAL000000003083	1	41	-1.0	-47.91	351.44	6.05	-41.86
CCCC(NC(=O)CC(C)C1=CC=CC=C1Br)C1=NNN=N1	REAL000000003083	1	42	0.0	-8.21	347.65	5.74	-2.47
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C(CC)=N1)C1=NN=N[N-]1	REAL000000003084	0	44	-1.0	-59.24	378.04	5.87	-53.37
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C(CC)=N1)C1=N[N-]N=N1	REAL000000003084	1	44	-1.0	-59.24	377.99	5.87	-53.37
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C(CC)=N1)C1=NNN=N1	REAL000000003084	1	45	0.0	-18.50	381.38	5.88	-12.62
CCCC(NC(=O)C1=CN=C(C2=CC=C(OC)C=C2)S1)C1=NN=N[N-]1	REAL000000003085	0	42	-1.0	-46.61	370.56	3.87	-42.74
CCCC(NC(=O)C1=CN=C(C2=CC=C(OC)C=C2)S1)C1=N[N-]N=N1	REAL000000003085	1	42	-1.0	-46.61	370.50	3.86	-42.75
CCCC(NC(=O)C1=CN=C(C2=CC=C(OC)C=C2)S1)C1=NNN=N1	REAL000000003085	1	43	0.0	-12.51	373.94	3.88	-8.62
CCCC(NC(=O)C1=CN(CC2=CC=CS2)N=N1)C1=NN=N[N-]1	REAL000000003086	0	38	-1.0	-46.42	347.12	2.91	-43.51
CCCC(NC(=O)C1=CN(CC2=CC=CS2)N=N1)C1=N[N-]N=N1	REAL000000003086	1	38	-1.0	-46.43	347.06	2.92	-43.51
CCCC(NC(=O)C1=CN(CC2=CC=CS2)N=N1)C1=NNN=N1	REAL000000003086	1	39	0.0	-12.22	350.51	2.93	-9.30
CCCC(NC(=O)CC(C)NC1=NS(=O)(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000003087	0	47	-1.0	-66.41	404.50	1.67	-64.74
CCCC(NC(=O)CC(C)NC1=NS(=O)(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000003087	1	47	-1.0	-66.40	404.44	1.66	-64.74
CCCC(NC(=O)CC(C)NC1=NS(=O)(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000003087	1	48	0.0	-26.62	400.67	1.35	-25.28
CCCC(NC(=O)C1=CC(NC(=O)C(C)(C)C)=CC=C1F)C1=NN=N[N-]1	REAL000000003088	0	48	-1.0	-52.43	393.76	4.69	-47.75
CCCC(NC(=O)C1=CC(NC(=O)C(C)(C)C)=CC=C1F)C1=N[N-]N=N1	REAL000000003088	1	48	-1.0	-52.43	393.70	4.68	-47.75
CCCC(NC(=O)C1=CC(NC(=O)C(C)(C)C)=CC=C1F)C1=NNN=N1	REAL000000003088	1	49	0.0	-17.20	397.13	4.70	-12.51
CCCC(NC(=O)C1CCC(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL000000003089	0	48	-1.0	-45.35	377.37	7.35	-38.01
CCCC(NC(=O)C1CCC(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL000000003089	1	48	-1.0	-45.35	377.34	7.35	-38.00
CCCC(NC(=O)C1CCC(C2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000003089	1	49	0.0	-10.73	380.77	7.36	-3.37
CCCC(NC(=O)CC1=CSC(NC(=O)C(C)(C)C)=N1)C1=NN=N[N-]1	REAL000000003090	0	47	-1.0	-52.63	397.53	3.50	-49.13
CCCC(NC(=O)CC1=CSC(NC(=O)C(C)(C)C)=N1)C1=N[N-]N=N1	REAL000000003090	1	47	-1.0	-52.63	397.47	3.50	-49.13
CCCC(NC(=O)CC1=CSC(NC(=O)C(C)(C)C)=N1)C1=NNN=N1	REAL000000003090	1	48	0.0	-16.93	400.91	3.51	-13.41
CCCC(NC(=O)C1CCCN(C2=C3C=CSC3=NC=N2)C1)C1=NN=N[N-]1	REAL000000003091	0	48	-1.0	-53.51	394.26	5.11	-48.40
CCCC(NC(=O)C1CCCN(C2=C3C=CSC3=NC=N2)C1)C1=N[N-]N=N1	REAL000000003091	1	48	-1.0	-53.51	394.21	5.11	-48.41
CCCC(NC(=O)C1CCCN(C2=C3C=CSC3=NC=N2)C1)C1=NNN=N1	REAL000000003091	1	49	0.0	-13.56	390.47	4.79	-8.77
CCCC(NC(=O)C(C)CSC(F)(F)F)C1=NN=N[N-]1	REAL000000003092	0	35	-1.0	-42.49	320.85	3.76	-38.72
CCCC(NC(=O)C(C)CSC(F)(F)F)C1=N[N-]N=N1	REAL000000003092	1	35	-1.0	-42.48	320.79	3.76	-38.72
CCCC(NC(=O)C(C)CSC(F)(F)F)C1=NNN=N1	REAL000000003092	1	36	0.0	-9.50	324.22	3.77	-5.73
CCCC(NC(=O)C1SCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000003093	0	40	-1.0	-49.39	336.27	5.59	-43.79
CCCC(NC(=O)C1SCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000003093	1	40	-1.0	-49.38	336.21	5.58	-43.80
CCCC(NC(=O)C1SCCC2=CC=CC=C21)C1=NNN=N1	REAL000000003093	1	41	0.0	-11.79	339.64	5.60	-6.20
CCCC(NC(=O)CCC1=NN=CN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000003094	0	44	-1.0	-46.71	371.84	7.34	-39.37
CCCC(NC(=O)CCC1=NN=CN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000003094	1	44	-1.0	-46.71	371.78	7.33	-39.38
CCCC(NC(=O)CCC1=NN=CN1C1=CC=CC=C1)C1=NNN=N1	REAL000000003094	1	45	0.0	-12.89	367.99	7.02	-5.87
CCCC(NC(=O)C1=CC=C(Cl)C(N2CCNC2=O)=C1)C1=NN=N[N-]1	REAL000000003095	0	42	-1.0	-52.82	370.17	3.42	-49.40
CCCC(NC(=O)C1=CC=C(Cl)C(N2CCNC2=O)=C1)C1=N[N-]N=N1	REAL000000003095	1	42	-1.0	-52.82	370.11	3.41	-49.41
CCCC(NC(=O)C1=CC=C(Cl)C(N2CCNC2=O)=C1)C1=NNN=N1	REAL000000003095	1	43	0.0	-19.48	373.54	3.42	-16.06
CCCC(NC(=O)CC1CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000003096	0	49	-1.0	-50.56	394.07	3.71	-46.85
CCCC(NC(=O)CC1CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000003096	1	49	-1.0	-50.56	394.01	3.70	-46.86
CCCC(NC(=O)CC1CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000003096	1	50	0.0	-16.84	397.24	3.63	-13.22
CCCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000003097	0	51	0.0	-65.45	399.59	7.31	-58.15
CCCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000003097	1	51	0.0	-65.73	400.02	7.32	-58.41
CCCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000003097	1	51	0.0	-65.45	399.53	7.30	-58.15
CCCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000003097	1	51	0.0	-65.72	399.96	7.32	-58.40
CCCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000003097	1	52	1.0	-42.44	393.65	6.92	-35.52
CCCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000003097	1	52	1.0	-43.09	396.33	6.96	-36.13
CCCC(NC(=O)CC(C)C1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL000000003098	0	44	-1.0	-51.31	366.65	6.37	-44.94
CCCC(NC(=O)CC(C)C1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL000000003098	1	44	-1.0	-51.31	366.59	6.36	-44.94
CCCC(NC(=O)CC(C)C1=CC=CC=C1C(F)(F)F)C1=NNN=N1	REAL000000003098	1	45	0.0	-9.68	362.84	6.05	-3.63
CCCC(NC(=O)C1=CC=C(C2=NOC(CC(C)(C)C)=N2)C=C1)C1=NN=N[N-]1	REAL000000003099	0	52	-1.0	-48.21	424.77	5.66	-42.55
CCCC(NC(=O)C1=CC=C(C2=NOC(CC(C)(C)C)=N2)C=C1)C1=N[N-]N=N1	REAL000000003099	1	52	-1.0	-48.21	424.72	5.66	-42.55
CCCC(NC(=O)C1=CC=C(C2=NOC(CC(C)(C)C)=N2)C=C1)C1=NNN=N1	REAL000000003099	1	53	0.0	-10.40	420.98	5.34	-5.06
CCCC(NC(=O)C1=CC=CC(C2=CN(C)N=C2)=C1)C1=NN=N[N-]1	REAL000000003100	0	42	-1.0	-54.69	354.43	4.95	-49.75
CCCC(NC(=O)C1=CC=CC(C2=CN(C)N=C2)=C1)C1=N[N-]N=N1	REAL000000003100	1	42	-1.0	-54.69	354.37	4.95	-49.75
CCCC(NC(=O)C1=CC=CC(C2=CN(C)N=C2)=C1)C1=NNN=N1	REAL000000003100	1	43	0.0	-17.15	357.81	4.96	-12.19
CCCC(NC(=O)C1=CC2=C(S1)N(C)N=C2C(C)C)C1=NN=N[N-]1	REAL000000003101	0	44	-1.0	-46.24	380.28	4.68	-41.56
CCCC(NC(=O)C1=CC([N-]S(C)(=O)=O)=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL000000003102	0	47	-2.0	-110.11	406.94	-0.17	-110.28
CCCC(NC(=O)C1=CC([N-]S(C)(=O)=O)=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL000000003102	1	47	-2.0	-110.12	406.88	-0.17	-110.29
CCCC(NC(=O)CCC1=CNC2=CC(C)=CC=C12)C1=NN=N[N-]1	REAL000000003103	0	45	-1.0	-46.84	373.66	5.85	-40.99
CCCC(NC(=O)CCC1=CNC2=CC(C)=CC=C12)C1=N[N-]N=N1	REAL000000003103	1	45	-1.0	-46.84	373.60	5.85	-40.99
CCCC(NC(=O)CCC1=CNC2=CC(C)=CC=C12)C1=NNN=N1	REAL000000003103	1	46	0.0	-13.03	377.04	5.86	-7.17
CCCC(NC(=O)C1=CN=C(C(C)OCC)S1)C1=NN=N[N-]1	REAL000000003104	0	41	-1.0	-46.51	358.45	2.25	-44.26
CCCC(NC(=O)C1=CN=C(C(C)OCC)S1)C1=N[N-]N=N1	REAL000000003104	1	41	-1.0	-46.51	358.40	2.25	-44.26
CCCC(NC(=O)C1=CN=C(C(C)OCC)S1)C1=NNN=N1	REAL000000003104	1	42	0.0	-12.22	361.83	2.26	-9.96
CCCC(NC(=O)CC1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000003105	0	52	-1.0	-43.90	403.19	4.31	-39.58
CCCC(NC(=O)CC1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000003105	1	52	-1.0	-43.90	403.13	4.30	-39.59
CCCC(NC(=O)CC1CCCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003105	1	53	0.0	-10.96	409.21	4.51	-6.45
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000003106	0	52	-1.0	-57.95	414.90	4.87	-53.09
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000003106	1	52	-1.0	-57.95	414.84	4.87	-53.08
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000003106	1	53	0.0	-18.31	418.28	4.87	-13.43
CCCC(NC(=O)C1=CC=C(OCCOC)N=C1)C1=NN=N[N-]1	REAL000000003107	0	42	-1.0	-46.27	356.95	0.59	-45.69
CCCC(NC(=O)C1=CC=C(OCCOC)N=C1)C1=N[N-]N=N1	REAL000000003107	1	42	-1.0	-46.27	356.89	0.59	-45.69
CCCC(NC(=O)C1=CC=C(OCCOC)N=C1)C1=NNN=N1	REAL000000003107	1	43	0.0	-12.28	360.32	0.60	-11.69
CCCC(NC(=O)C1=CC2=CC(C(F)(F)F)=CC=C2N1C)C1=NN=N[N-]1	REAL000000003108	0	42	-1.0	-43.35	364.85	6.19	-37.16
CCCC(NC(=O)C1=CC2=CC(C(F)(F)F)=CC=C2N1C)C1=N[N-]N=N1	REAL000000003108	1	42	-1.0	-43.35	364.79	6.19	-37.16
CCCC(NC(=O)C1=CC2=CC(C(F)(F)F)=CC=C2N1C)C1=NNN=N1	REAL000000003108	1	43	0.0	-10.87	368.37	6.20	-4.67
CCCCCCCCCCCCCC(=O)NC(CCC)C1=NN=N[N-]1	REAL000000003109	0	61	-1.0	-44.90	475.45	9.95	-34.96
CCCCCCCCCCCCCC(=O)NC(CCC)C1=N[N-]N=N1	REAL000000003109	1	61	-1.0	-44.90	475.39	9.95	-34.95
CCCCCCCCCCCCCC(=O)NC(CCC)C1=NNN=N1	REAL000000003109	1	62	0.0	-9.68	478.83	9.96	0.28
CCCC(NC(=O)C1=CC=CC(Br)=C1C)C1=NN=N[N-]1	REAL000000003110	0	35	-1.0	-44.91	308.27	4.84	-40.07
CCCC(NC(=O)C1=CC=CC(Br)=C1C)C1=N[N-]N=N1	REAL000000003110	1	35	-1.0	-44.91	308.22	4.84	-40.06
CCCC(NC(=O)C1=CC=CC(Br)=C1C)C1=NNN=N1	REAL000000003110	1	36	0.0	-10.71	311.66	4.86	-5.84
CCCC(NC(=O)C1=CC=C(CNC(=O)C=C(C)C)C=C1)C1=NN=N[N-]1	REAL000000003111	0	49	-1.0	-48.41	406.52	4.76	-43.66
CCCC(NC(=O)C1=CC=C(CNC(=O)C=C(C)C)C=C1)C1=N[N-]N=N1	REAL000000003111	1	49	-1.0	-48.43	406.46	4.76	-43.67
CCCC(NC(=O)C1=CC=C(CNC(=O)C=C(C)C)C=C1)C1=NNN=N1	REAL000000003111	1	50	0.0	-11.33	402.43	4.44	-6.89
CCCC(NC(=O)C1=CC(OCC2=CC=CC=C2)=CC=N1)C1=NN=N[N-]1	REAL000000003112	0	45	-1.0	-50.00	383.07	5.22	-44.78
CCCC(NC(=O)C1=CC(OCC2=CC=CC=C2)=CC=N1)C1=N[N-]N=N1	REAL000000003112	1	45	-1.0	-50.01	383.01	5.21	-44.80
CCCC(NC(=O)C1=CC(OCC2=CC=CC=C2)=CC=N1)C1=NNN=N1	REAL000000003112	1	46	0.0	-13.03	386.44	5.22	-7.81
CCCC(NC(=O)C1=CC=C(CNC(=O)OC(C)(C)C)O1)C1=NN=N[N-]1	REAL000000003113	0	49	-1.0	-46.00	406.99	2.26	-43.74
CCCC(NC(=O)C1=CC=C(CNC(=O)OC(C)(C)C)O1)C1=N[N-]N=N1	REAL000000003113	1	49	-1.0	-46.00	406.94	2.26	-43.74
CCCC(NC(=O)C1=CC=C(CNC(=O)OC(C)(C)C)O1)C1=NNN=N1	REAL000000003113	1	50	0.0	-11.62	410.37	2.27	-9.35
CCCC(NC(=O)C(C)C1=CC=C(Br)S1)C1=NN=N[N-]1	REAL000000003114	0	35	-1.0	-47.22	328.52	4.80	-42.42
CCCC(NC(=O)C(C)C1=CC=C(Br)S1)C1=N[N-]N=N1	REAL000000003114	1	35	-1.0	-47.22	328.47	4.80	-42.42
CCCC(NC(=O)C(C)C1=CC=C(Br)S1)C1=NNN=N1	REAL000000003114	1	36	0.0	-11.03	331.92	4.81	-6.22
CCCC(NC(=O)CNC(=O)C1=CC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL000000003115	0	43	-1.0	-45.04	367.07	2.07	-42.97
CCCC(NC(=O)CNC(=O)C1=CC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL000000003115	1	43	-1.0	-45.03	367.02	2.06	-42.97
CCCC(NC(=O)CNC(=O)C1=CC2=CC=CC=C2N1)C1=NNN=N1	REAL000000003115	1	44	0.0	-13.06	370.45	2.08	-10.98
CCCC(NC(=O)C(C)CCOC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000003117	0	45	-1.0	-49.26	366.53	5.28	-43.98
CCCC(NC(=O)C(C)CCOC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000003117	1	45	-1.0	-49.26	366.47	5.27	-43.99
CCCC(NC(=O)C(C)CCOC1=CC=CC=C1)C1=NNN=N1	REAL000000003117	1	46	0.0	-13.46	369.89	5.29	-8.17
CCCC(NC(=O)C1=CC=C(C)C(Br)=C1)C1=NN=N[N-]1	REAL000000003118	0	35	-1.0	-46.81	313.81	4.84	-41.97
CCCC(NC(=O)C1=CC=C(C)C(Br)=C1)C1=N[N-]N=N1	REAL000000003118	1	35	-1.0	-46.80	313.75	4.84	-41.96
CCCC(NC(=O)C1=CC=C(C)C(Br)=C1)C1=NNN=N1	REAL000000003118	1	36	0.0	-9.26	317.18	4.85	-4.41
CCCC(NC(=O)C1CC(=O)N(C2=CNN=C2)C1)C1=NN=N[N-]1	REAL000000003119	0	40	-1.0	-48.30	336.91	1.12	-47.17
CCCC(NC(=O)C1CC(=O)N(C2=CNN=C2)C1)C1=N[N-]N=N1	REAL000000003119	1	40	-1.0	-48.29	336.85	1.12	-47.17
CCCC(NC(=O)C1CC(=O)N(C2=CNN=C2)C1)C1=NNN=N1	REAL000000003119	1	41	0.0	-15.95	340.29	1.14	-14.82
CCCC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL000000003120	0	51	0.0	-56.82	379.24	5.95	-50.87
CCCC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL000000003120	1	51	0.0	-58.51	380.08	6.04	-52.47
CCCC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL000000003120	1	51	0.0	-56.80	379.19	5.95	-50.85
CCCC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL000000003120	1	51	0.0	-58.50	380.02	6.04	-52.46
CCCC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=NNN=N1	REAL000000003120	1	52	1.0	-40.36	383.47	6.05	-34.32
CCCC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=NNN=N1	REAL000000003120	1	52	1.0	-41.62	383.25	5.97	-35.65
CCCC(NC(=O)C1=CC=CC(C(F)(F)F)=C1F)C1=NN=N[N-]1	REAL000000003121	0	35	-1.0	-52.14	316.78	4.71	-47.43
CCCC(NC(=O)C1=CC=CC(C(F)(F)F)=C1F)C1=N[N-]N=N1	REAL000000003121	1	35	-1.0	-52.14	316.73	4.70	-47.43
CCCC(NC(=O)C1=CC=CC(C(F)(F)F)=C1F)C1=NNN=N1	REAL000000003121	1	36	0.0	-17.17	320.16	4.72	-12.45
CCCC(NC(=O)CN(C)C1=CC=C(C(F)(F)F)C=C1C=O)C1=NN=N[N-]1	REAL000000003122	0	45	-1.0	-50.54	388.47	5.22	-45.32
CCCC(NC(=O)CN(C)C1=CC=C(C(F)(F)F)C=C1C=O)C1=N[N-]N=N1	REAL000000003122	1	45	-1.0	-50.54	388.42	5.21	-45.32
CCCC(NC(=O)CN(C)C1=CC=C(C(F)(F)F)C=C1C=O)C1=NNN=N1	REAL000000003122	1	46	0.0	-16.18	391.85	5.23	-10.95
CCCC(NC(=O)C1=C2C=C(C)C=CC2=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL000000003123	0	47	-1.0	-47.69	381.55	6.72	-40.97
CCCC(NC(=O)C1=C2C=C(C)C=CC2=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL000000003123	1	47	-1.0	-47.68	381.49	6.72	-40.96
CCCC(NC(=O)C1=C2C=C(C)C=CC2=NC(C2CC2)=C1)C1=NNN=N1	REAL000000003123	1	48	0.0	-12.57	384.93	6.73	-5.84
CCCC(NC(=O)C1=CC(Br)=CC(OC(C)C)=C1)C1=NN=N[N-]1	REAL000000003124	0	42	-1.0	-45.17	364.90	5.13	-40.04
CCCC(NC(=O)C1=CC(Br)=CC(OC(C)C)=C1)C1=N[N-]N=N1	REAL000000003124	1	42	-1.0	-45.18	364.84	5.13	-40.04
CCCC(NC(=O)C1=CC(Br)=CC(OC(C)C)=C1)C1=NNN=N1	REAL000000003124	1	43	0.0	-10.11	368.28	5.14	-4.97
CCCC(NC(=O)COC1CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000003125	0	50	-1.0	-60.55	407.85	3.27	-57.28
CCCC(NC(=O)COC1CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000003125	1	50	-1.0	-60.54	407.79	3.26	-57.28
CCCC(NC(=O)COC1CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000003125	1	51	0.0	-18.29	411.27	3.36	-14.93
CCCC(NC(=O)C1CCN(CC2=NC=CN2C)CC1)C1=NN=N[N-]1	REAL000000003126	0	50	-1.0	-55.97	389.71	3.29	-52.67
CCCC(NC(=O)C1CCN(CC2=NC=CN2C)CC1)C1=N[N-]N=N1	REAL000000003126	1	50	-1.0	-55.96	389.65	3.28	-52.68
CCCC(NC(=O)C1=CC=C(C2=NNC(C3CC3)=N2)C=C1)C1=NN=N[N-]1	REAL000000003127	0	45	-1.0	-49.58	381.61	5.87	-43.71
CCCC(NC(=O)C1=CC=C(C2=NNC(C3CC3)=N2)C=C1)C1=N[N-]N=N1	REAL000000003127	1	45	-1.0	-49.58	381.56	5.87	-43.71
CCCC(NC(=O)C1=CC=C(C2=NNC(C3CC3)=N2)C=C1)C1=NNN=N1	REAL000000003127	1	46	0.0	-14.65	384.99	5.88	-8.77
CCCC(NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1)C1=NN=N[N-]1	REAL000000003128	0	52	-1.0	-48.71	407.02	3.44	-45.28
CCCC(NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1)C1=N[N-]N=N1	REAL000000003128	1	52	-1.0	-48.71	406.96	3.43	-45.28
CCCC(NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1)C1=NNN=N1	REAL000000003128	1	53	0.0	-9.56	410.42	3.41	-6.15
CCCC(NC(=O)CC1(CS(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL000000003129	0	41	-1.0	-48.57	348.05	0.99	-47.58
CCCC(NC(=O)CC1(CS(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL000000003129	1	41	-1.0	-48.56	347.99	0.99	-47.57
CCCC(NC(=O)CC1(CS(C)(=O)=O)CC1)C1=NNN=N1	REAL000000003129	1	42	0.0	-14.28	351.43	1.00	-13.28
CCCC(NC(=O)C(C)CN(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000003130	0	51	-1.0	-50.16	398.42	4.20	-45.96
CCCC(NC(=O)C(C)CN(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000003130	1	51	-1.0	-50.15	398.37	4.19	-45.96
CCCC(NC(=O)C(C)CN(C)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003130	1	52	0.0	-13.32	401.80	4.21	-9.12
CCCC(NC(=O)CNS(=O)(=O)CCOC(C)C)C1=NN=N[N-]1	REAL000000003131	0	46	-1.0	-53.47	392.73	-1.47	-54.94
CCCC(NC(=O)CNS(=O)(=O)CCOC(C)C)C1=N[N-]N=N1	REAL000000003131	1	46	-1.0	-53.47	392.67	-1.48	-54.95
CCCC(NC(=O)CNS(=O)(=O)CCOC(C)C)C1=NNN=N1	REAL000000003131	1	47	0.0	-15.71	388.94	-1.80	-17.51
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2Cl)N=C1)C1=NN=N[N-]1	REAL000000003132	0	42	-1.0	-46.12	377.42	4.45	-41.67
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2Cl)N=C1)C1=N[N-]N=N1	REAL000000003132	1	42	-1.0	-46.12	377.37	4.45	-41.68
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2Cl)N=C1)C1=NNN=N1	REAL000000003132	1	43	0.0	-12.88	380.81	4.46	-8.42
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=C(C)NC1=O)C1=NN=N[N-]1	REAL000000003133	0	45	-1.0	-55.65	375.86	4.98	-50.67
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=C(C)NC1=O)C1=N[N-]N=N1	REAL000000003133	1	45	-1.0	-55.65	375.81	4.98	-50.68
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=C(C)NC1=O)C1=NNN=N1	REAL000000003133	1	46	0.0	-13.57	372.55	4.64	-8.93
CCCC(NC(=O)C1=C(F)N2C=CC=CC2=N1)C1=NN=N[N-]1	REAL000000003134	0	35	-1.0	-53.54	310.58	4.08	-49.46
CCCC(NC(=O)C1=C(F)N2C=CC=CC2=N1)C1=N[N-]N=N1	REAL000000003134	1	35	-1.0	-53.55	310.53	4.08	-49.47
CCCC(NC(=O)C1=C(F)N2C=CC=CC2=N1)C1=NNN=N1	REAL000000003134	1	36	0.0	-12.78	306.78	3.76	-9.02
CCCC(NC(=O)CN1C=C(C(=O)OC)N=N1)C1=NN=N[N-]1	REAL000000003135	0	37	-1.0	-57.94	330.94	0.91	-57.03
CCCC(NC(=O)CN1C=C(C(=O)OC)N=N1)C1=N[N-]N=N1	REAL000000003135	1	37	-1.0	-57.94	330.89	0.91	-57.03
CCCC(NC(=O)CN1C=C(C(=O)OC)N=N1)C1=NNN=N1	REAL000000003135	1	38	0.0	-21.85	334.32	0.92	-20.93
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)C(C)N2C)C1=NN=N[N-]1	REAL000000003136	0	45	-1.0	-50.05	361.51	1.39	-48.67
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)C(C)N2C)C1=N[N-]N=N1	REAL000000003136	1	45	-1.0	-50.05	361.45	1.39	-48.66
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)C(C)N2C)C1=NNN=N1	REAL000000003136	1	46	0.0	-14.70	367.53	1.37	-13.32
CCCC(NC(=O)CCN1C(=S)N=NC1C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL000000003137	0	48	-1.0	-46.09	419.37	5.40	-40.69
CCCC(NC(=O)CCN1C(=S)N=NC1C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL000000003137	1	48	-1.0	-46.10	419.32	5.40	-40.69
CCCC(NC(=O)CCN1C(=S)N=NC1C1=CC=CC(C)=C1)C1=NNN=N1	REAL000000003137	1	49	0.0	-20.21	422.75	5.41	-14.80
CCCC(NC(=O)CSC1=N[N-]C(=S)S1)C1=NN=N[N-]1	REAL000000003138	0	31	-2.0	-83.92	320.33	1.51	-82.41
CCCC(NC(=O)CC1=COC2=CC(F)=CC=C12)C1=NN=N[N-]1	REAL000000003139	0	38	-1.0	-47.20	333.23	4.76	-42.43
CCCC(NC(=O)CC1=COC2=CC(F)=CC=C12)C1=N[N-]N=N1	REAL000000003139	1	38	-1.0	-47.19	333.17	4.75	-42.44
CCCC(NC(=O)CC1=COC2=CC(F)=CC=C12)C1=NNN=N1	REAL000000003139	1	39	0.0	-14.50	336.60	4.77	-9.73
CCCC(NC(=O)CCC1=CC(Cl)=CC=C1Br)C1=NN=N[N-]1	REAL000000003140	0	38	-1.0	-43.72	354.33	6.11	-37.61
CCCC(NC(=O)CCC1=CC(Cl)=CC=C1Br)C1=N[N-]N=N1	REAL000000003140	1	38	-1.0	-43.72	354.27	6.11	-37.61
CCCC(NC(=O)CCC1=CC(Cl)=CC=C1Br)C1=NNN=N1	REAL000000003140	1	39	0.0	-9.68	357.70	6.12	-3.56
CCCC(NC(=O)C1=CC=C(Br)N=C1)C1=NN=N[N-]1	REAL000000003141	0	31	-1.0	-42.54	290.80	2.37	-40.18
CCCC(NC(=O)C1=CC=C(Br)N=C1)C1=N[N-]N=N1	REAL000000003141	1	31	-1.0	-42.54	290.74	2.37	-40.17
CCCC(NC(=O)C1=CC=C(Br)N=C1)C1=NNN=N1	REAL000000003141	1	32	0.0	-10.07	294.17	2.37	-7.70
CCCC(NC(=O)C1(F)CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000003142	0	49	-1.0	-46.50	394.95	3.69	-42.81
CCCC(NC(=O)C1(F)CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000003142	1	49	-1.0	-46.50	394.90	3.69	-42.81
CCCC(NC(=O)C1(F)CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000003142	1	50	0.0	-11.52	398.33	3.70	-7.82
CCCC(NC(=O)CC1CC2CCC(C1)N2C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000003143	0	59	-1.0	-54.76	430.62	5.82	-48.94
CCCC(NC(=O)CC1CC2CCC(C1)N2C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000003143	1	59	-1.0	-54.75	430.56	5.82	-48.93
CCCC(NC(=O)CC1CC2CCC(C1)N2C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003143	1	60	0.0	-17.73	433.62	5.85	-11.88
CCCC(NC(=O)C(C)C1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL000000003144	0	35	-1.0	-47.22	323.89	4.69	-42.53
CCCC(NC(=O)C(C)C1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL000000003144	1	35	-1.0	-47.21	323.83	4.68	-42.53
CCCC(NC(=O)C(C)C1=CC=C(Cl)S1)C1=NNN=N1	REAL000000003144	1	36	0.0	-11.01	327.28	4.70	-6.32
CCCC(NC(=O)CCCC1=CSC(C)=N1)C1=NN=N[N-]1	REAL000000003145	0	40	-1.0	-49.92	348.12	3.65	-46.27
CCCC(NC(=O)CCCC1=CSC(C)=N1)C1=N[N-]N=N1	REAL000000003145	1	40	-1.0	-49.92	348.07	3.64	-46.28
CCCC(NC(=O)CCCC1=CSC(C)=N1)C1=NNN=N1	REAL000000003145	1	41	0.0	-14.85	351.50	3.66	-11.19
CCCC(NC(=O)C1=CC=CC(NC(C)C(C)C)=C1C)C1=NN=N[N-]1	REAL000000003146	0	52	-1.0	-46.23	399.40	6.20	-40.03
CCCC(NC(=O)C1=CC=CC(NC(C)C(C)C)=C1C)C1=N[N-]N=N1	REAL000000003146	1	52	-1.0	-46.23	399.35	6.19	-40.04
CCCC(NC(=O)C1=CC=CC(NC(C)C(C)C)=C1C)C1=NNN=N1	REAL000000003146	1	53	0.0	-9.71	402.72	6.21	-3.50
CCCC(NC(=O)CC=CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000003147	0	39	-1.0	-45.84	336.43	5.71	-40.13
CCCC(NC(=O)CC=CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000003147	1	39	-1.0	-45.83	336.37	5.70	-40.13
CCCC(NC(=O)CC=CC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000003147	1	40	0.0	-9.68	332.62	5.39	-4.29
CCCC(NC(=O)C1=C2C=C(C)C=C(C)C2=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL000000003148	0	50	-1.0	-48.03	401.66	7.56	-40.46
CCCC(NC(=O)C1=C2C=C(C)C=C(C)C2=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL000000003148	1	50	-1.0	-48.03	401.60	7.55	-40.48
CCCC(NC(=O)C1=C2C=C(C)C=C(C)C2=NC(C2CC2)=C1)C1=NNN=N1	REAL000000003148	1	51	0.0	-12.61	405.05	7.57	-5.04
CCCC(NC(=O)C1=C2C=NN(C)C2=NC(C)=C1)C1=NN=N[N-]1	REAL000000003149	0	40	-1.0	-47.85	337.94	3.33	-44.52
CCCC(NC(=O)C1=C2C=NN(C)C2=NC(C)=C1)C1=N[N-]N=N1	REAL000000003149	1	40	-1.0	-47.85	337.88	3.33	-44.51
CCCC(NC(=O)C1=C2C=NN(C)C2=NC(C)=C1)C1=NNN=N1	REAL000000003149	1	41	0.0	-14.94	341.32	3.34	-11.60
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)NC)=C1)C1=NN=N[N-]1	REAL000000003150	0	40	-1.0	-52.96	348.62	-0.38	-53.34
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)NC)=C1)C1=N[N-]N=N1	REAL000000003150	1	40	-1.0	-52.95	348.57	-0.38	-53.33
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)NC)=C1)C1=NNN=N1	REAL000000003150	1	41	0.0	-19.14	352.01	-0.37	-19.51
CCCC(NC(=O)C1CC(OCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000003151	0	46	-1.0	-48.97	380.89	5.62	-43.35
CCCC(NC(=O)C1CC(OCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000003151	1	46	-1.0	-48.97	380.83	5.61	-43.36
CCCC(NC(=O)C1CC(OCC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000003151	1	47	0.0	-14.35	384.30	5.62	-8.73
CCCC(NC(=O)CC(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000003152	0	54	-1.0	-48.23	432.35	9.85	-38.37
CCCC(NC(=O)CC(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000003152	1	54	-1.0	-48.23	432.29	9.84	-38.39
CCCC(NC(=O)CC(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=NNN=N1	REAL000000003152	1	55	0.0	-12.10	435.21	9.90	-2.20
CCCC(NC(=O)C(CC)OC1=CC=CC=C1F)C1=NN=N[N-]1	REAL000000003153	0	42	-1.0	-52.99	346.54	5.47	-47.52
CCCC(NC(=O)C(CC)OC1=CC=CC=C1F)C1=N[N-]N=N1	REAL000000003153	1	42	-1.0	-52.98	346.48	5.46	-47.52
CCCC(NC(=O)C(CC)OC1=CC=CC=C1F)C1=NNN=N1	REAL000000003153	1	43	0.0	-17.48	349.22	5.52	-11.96
CCCC(NC(=O)C(C)C1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL000000003154	0	38	-1.0	-44.72	346.83	5.85	-38.87
CCCC(NC(=O)C(C)C1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL000000003154	1	38	-1.0	-44.72	346.77	5.85	-38.87
CCCC(NC(=O)C(C)C1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000003154	1	39	0.0	-11.94	350.16	5.86	-6.07
CCCC(NC(=O)C1=CC=C(N2C=CC=C2)N=C1)C1=NN=N[N-]1	REAL000000003155	0	39	-1.0	-45.10	332.41	5.73	-39.37
CCCC(NC(=O)C1=CC=C(N2C=CC=C2)N=C1)C1=N[N-]N=N1	REAL000000003155	1	39	-1.0	-45.10	332.35	5.72	-39.38
CCCC(NC(=O)C1=CC=C(N2C=CC=C2)N=C1)C1=NNN=N1	REAL000000003155	1	40	0.0	-12.04	335.79	5.74	-6.30
CCCC(NC(=O)CCCC1=C(C)SC(C)=C1)C1=NN=N[N-]1	REAL000000003156	0	44	-1.0	-47.15	371.57	6.33	-40.82
CCCC(NC(=O)CCCC1=C(C)SC(C)=C1)C1=N[N-]N=N1	REAL000000003156	1	44	-1.0	-47.14	371.51	6.32	-40.82
CCCC(NC(=O)CCCC1=C(C)SC(C)=C1)C1=NNN=N1	REAL000000003156	1	45	0.0	-12.33	374.96	6.34	-5.99
CCCC(NC(=O)C1=C(C)OC(S(=O)(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL000000003157	0	43	-1.0	-46.79	374.02	0.49	-46.30
CCCC(NC(=O)C1=C(C)OC(S(=O)(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL000000003157	1	43	-1.0	-46.79	373.96	0.48	-46.31
CCCC(NC(=O)C1=C(C)OC(S(=O)(=O)N(C)C)=C1)C1=NNN=N1	REAL000000003157	1	44	0.0	-15.28	377.40	0.51	-14.78
CCCC(NC(=O)C(C)C1=CC=C2C=CC=CC2=C1)C1=NN=N[N-]1	REAL000000003158	0	44	-1.0	-49.50	360.78	7.10	-42.40
CCCC(NC(=O)C(C)C1=CC=C2C=CC=CC2=C1)C1=N[N-]N=N1	REAL000000003158	1	44	-1.0	-49.49	360.73	7.10	-42.39
CCCC(NC(=O)C(C)C1=CC=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000003158	1	45	0.0	-12.65	364.16	7.11	-5.54
CCCC(NC(=O)C1=CC2=CC=CC(Cl)=C2O1)C1=NN=N[N-]1	REAL000000003159	0	35	-1.0	-45.67	322.33	4.55	-41.13
CCCC(NC(=O)C1=CC2=CC=CC(Cl)=C2O1)C1=N[N-]N=N1	REAL000000003159	1	35	-1.0	-45.68	322.27	4.55	-41.13
CCCC(NC(=O)C1=CC2=CC=CC(Cl)=C2O1)C1=NNN=N1	REAL000000003159	1	36	0.0	-8.67	318.52	4.22	-4.44
CCCC(NC(=O)C1CC(=O)N(C2=CC(OC)=CC(OC)=C2)C1)C1=NN=N[N-]1	REAL000000003160	0	51	-1.0	-49.20	412.63	3.23	-45.97
CCCC(NC(=O)C1CC(=O)N(C2=CC(OC)=CC(OC)=C2)C1)C1=N[N-]N=N1	REAL000000003160	1	51	-1.0	-49.20	412.58	3.23	-45.97
CCCC(NC(=O)C1CC(=O)N(C2=CC(OC)=CC(OC)=C2)C1)C1=NNN=N1	REAL000000003160	1	52	0.0	-18.69	416.01	3.24	-15.45
CCCC(NC(=O)C1=CC=C(OC(C)CC)C=C1)C1=NN=N[N-]1	REAL000000003161	0	45	-1.0	-46.17	364.29	5.34	-40.83
CCCC(NC(=O)C1=CC=C(OC(C)CC)C=C1)C1=N[N-]N=N1	REAL000000003161	1	45	-1.0	-46.18	364.23	5.34	-40.84
CCCC(NC(=O)C1=CC=C(OC(C)CC)C=C1)C1=NNN=N1	REAL000000003161	1	46	0.0	-7.72	360.46	5.03	-2.69
CCCC(NC(=O)C1=CN=C2C(=C1)C=NN2C)C1=NN=N[N-]1	REAL000000003162	0	37	-1.0	-46.12	318.83	2.81	-43.31
CCCC(NC(=O)C1=CN=C2C(=C1)C=NN2C)C1=N[N-]N=N1	REAL000000003162	1	37	-1.0	-46.12	318.77	2.80	-43.32
CCCC(NC(=O)C1=CN=C2C(=C1)C=NN2C)C1=NNN=N1	REAL000000003162	1	38	0.0	-13.35	322.21	2.81	-10.54
CCCC(NC(=O)C1=CC=NC(C(=O)OC)=C1)C1=NN=N[N-]1	REAL000000003163	0	37	-1.0	-50.16	325.29	2.50	-47.67
CCCC(NC(=O)C1=CC=NC(C(=O)OC)=C1)C1=N[N-]N=N1	REAL000000003163	1	37	-1.0	-50.16	325.23	2.50	-47.66
CCCC(NC(=O)C1=CC=NC(C(=O)OC)=C1)C1=NNN=N1	REAL000000003163	1	38	0.0	-17.30	328.67	2.51	-14.79
CCCC(NC(=O)CCN1C(=O)C=C(O)C=C1C)C1=NN=N[N-]1	REAL000000003165	0	42	-1.0	-57.83	350.39	0.97	-56.86
CCCC(NC(=O)CCN1C(=O)C=C(O)C=C1C)C1=N[N-]N=N1	REAL000000003165	1	42	-1.0	-57.83	350.33	0.96	-56.87
CCCC(NC(=O)CCN1C(=O)C=C(O)C=C1C)C1=NNN=N1	REAL000000003165	1	43	0.0	-16.37	346.68	0.66	-15.70
CCCC(NC(=O)CN1C(=O)C=C(O)C=C1C)C1=NN=N[N-]1	REAL000000003166	0	39	-1.0	-62.07	330.39	0.51	-61.56
CCCC(NC(=O)CN1C(=O)C=C(O)C=C1C)C1=N[N-]N=N1	REAL000000003166	1	39	-1.0	-62.07	330.33	0.51	-61.55
CCCC(NC(=O)CN1C(=O)C=C(O)C=C1C)C1=NNN=N1	REAL000000003166	1	40	0.0	-18.64	326.07	0.18	-18.46
CCCC(NC(=O)C(C)C1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL000000003167	0	44	-1.0	-55.85	375.61	2.40	-53.45
CCCC(NC(=O)C(C)C1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL000000003167	1	44	-1.0	-55.84	375.55	2.40	-53.44
CCCC(NC(=O)C(C)C1=CC=C(S(C)(=O)=O)C=C1)C1=NNN=N1	REAL000000003167	1	45	0.0	-20.54	378.99	2.41	-18.14
CCCC(NC(=O)CC(C)C1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL000000003168	0	45	-1.0	-45.92	363.31	4.87	-41.06
CCCC(NC(=O)CC(C)C1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL000000003168	1	45	-1.0	-45.92	363.25	4.87	-41.05
CCCC(NC(=O)CC(C)C1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000003168	1	46	0.0	-12.25	366.69	4.87	-7.38
CCCC(NC(=O)C=C(C)C1=CC=CC=C1OC(F)F)C1=NN=N[N-]1	REAL000000003169	0	43	-1.0	-47.57	367.63	5.26	-42.30
CCCC(NC(=O)C=C(C)C1=CC=CC=C1OC(F)F)C1=N[N-]N=N1	REAL000000003169	1	43	-1.0	-47.57	367.57	5.25	-42.31
CCCC(NC(=O)C=C(C)C1=CC=CC=C1OC(F)F)C1=NNN=N1	REAL000000003169	1	44	0.0	-11.68	371.07	5.28	-6.40
CCCC(NC(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C(F)=C1)C1=NN=N[N-]1	REAL000000003170	0	43	-1.0	-43.17	387.33	7.15	-36.03
CCCC(NC(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C(F)=C1)C1=N[N-]N=N1	REAL000000003170	1	43	-1.0	-43.17	387.27	7.14	-36.04
CCCC(NC(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C(F)=C1)C1=NNN=N1	REAL000000003170	1	44	0.0	-8.16	383.53	6.82	-1.34
CCCC(NC(=O)C1=CC(S(=O)(=O)NC)=CS1)C1=NN=N[N-]1	REAL000000003171	0	37	-1.0	-52.76	344.42	-1.22	-53.98
CCCC(NC(=O)C1=CC(S(=O)(=O)NC)=CS1)C1=N[N-]N=N1	REAL000000003171	1	37	-1.0	-52.77	344.36	-1.22	-53.98
CCCC(NC(=O)C1=CC(S(=O)(=O)NC)=CS1)C1=NNN=N1	REAL000000003171	1	38	0.0	-14.27	340.61	-1.53	-15.80
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL000000003172	0	40	-1.0	-44.70	351.44	5.70	-39.00
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL000000003172	1	40	-1.0	-44.71	351.38	5.71	-39.00
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2)O1)C1=NNN=N1	REAL000000003172	1	41	0.0	-8.07	347.67	5.38	-2.69
CCCC(NC(=O)C1=CN=C2C=CC=CC2=C1C)C1=NN=N[N-]1	REAL000000003173	0	40	-1.0	-46.53	328.16	4.57	-41.96
CCCC(NC(=O)C1=CN=C2C=CC=CC2=C1C)C1=N[N-]N=N1	REAL000000003173	1	40	-1.0	-46.53	328.10	4.57	-41.96
CCCC(NC(=O)C1=CN=C2C=CC=CC2=C1C)C1=NNN=N1	REAL000000003173	1	41	0.0	-11.42	331.51	4.58	-6.84
CCCC(NC(=O)C1=C(C)OC(S(=O)(=O)NC)=C1)C1=NN=N[N-]1	REAL000000003174	0	40	-1.0	-47.45	355.04	-1.34	-48.79
CCCC(NC(=O)C1=C(C)OC(S(=O)(=O)NC)=C1)C1=N[N-]N=N1	REAL000000003174	1	40	-1.0	-47.45	354.98	-1.34	-48.79
CCCC(NC(=O)C1=C(C)OC(S(=O)(=O)NC)=C1)C1=NNN=N1	REAL000000003174	1	41	0.0	-15.02	358.42	-1.33	-16.35
CCCC(NC(=O)C1=CC(C)=C(Br)S1)C1=NN=N[N-]1	REAL000000003175	0	32	-1.0	-42.56	307.60	3.97	-38.59
CCCC(NC(=O)C1=CC(C)=C(Br)S1)C1=N[N-]N=N1	REAL000000003175	1	32	-1.0	-42.56	307.54	3.97	-38.59
CCCC(NC(=O)C1=CC(C)=C(Br)S1)C1=NNN=N1	REAL000000003175	1	33	0.0	-8.48	310.98	3.98	-4.51
CCCC(NC(=O)C(F)(F)C1=CC(OC)=CC=C1OC)C1=NN=N[N-]1	REAL000000003176	0	43	-1.0	-45.12	365.30	3.12	-42.00
CCCC(NC(=O)C(F)(F)C1=CC(OC)=CC=C1OC)C1=N[N-]N=N1	REAL000000003176	1	43	-1.0	-45.13	365.25	3.12	-42.00
CCCC(NC(=O)C(F)(F)C1=CC(OC)=CC=C1OC)C1=NNN=N1	REAL000000003176	1	44	0.0	-12.68	368.68	3.13	-9.54
CCCC(NC(=O)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1)C1=NN=N[N-]1	REAL000000003177	0	44	-1.0	-45.95	378.09	4.52	-41.42
CCCC(NC(=O)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1)C1=N[N-]N=N1	REAL000000003177	1	44	-1.0	-45.95	378.03	4.51	-41.44
CCCC(NC(=O)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1)C1=NNN=N1	REAL000000003177	1	45	0.0	-12.81	381.46	4.53	-8.28
CCCC(NC(=O)CCOC1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL000000003178	0	43	-1.0	-47.78	363.29	0.78	-47.00
CCCC(NC(=O)CCOC1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL000000003178	1	43	-1.0	-47.77	363.24	0.77	-47.00
CCCC(NC(=O)CCOC1=CC=C(C(N)=O)C=C1)C1=NNN=N1	REAL000000003178	1	44	0.0	-15.87	366.68	0.79	-15.08
CCCC(NC(=O)CC(C)C(=O)C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL000000003179	0	43	-1.0	-45.27	362.49	5.53	-39.74
CCCC(NC(=O)CC(C)C(=O)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL000000003179	1	43	-1.0	-45.26	362.43	5.53	-39.73
CCCC(NC(=O)CC(C)C(=O)C1=CC=CC(F)=C1)C1=NNN=N1	REAL000000003179	1	44	0.0	-9.83	358.82	5.21	-4.61
CCCC(NC(=O)CCC1=CNC2=CC=C(C)C=C12)C1=NN=N[N-]1	REAL000000003180	0	45	-1.0	-46.95	373.66	5.85	-41.10
CCCC(NC(=O)CCC1=CNC2=CC=C(C)C=C12)C1=N[N-]N=N1	REAL000000003180	1	45	-1.0	-46.95	373.60	5.85	-41.10
CCCC(NC(=O)CCC1=CNC2=CC=C(C)C=C12)C1=NNN=N1	REAL000000003180	1	46	0.0	-13.12	377.04	5.87	-7.25
CCCC(NC(=O)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1)C1=NN=N[N-]1	REAL000000003181	0	42	-1.0	-48.11	366.42	5.89	-42.22
CCCC(NC(=O)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1)C1=N[N-]N=N1	REAL000000003181	1	42	-1.0	-48.11	366.36	5.89	-42.22
CCCC(NC(=O)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1)C1=NNN=N1	REAL000000003181	1	43	0.0	-13.11	362.61	5.58	-7.53
CCCC(NC(=O)C1=CC(C2=CC=C(OC)C(OC)=C2)=NN1)C1=NN=N[N-]1	REAL000000003182	0	47	-1.0	-46.95	394.52	2.91	-44.04
CCCC(NC(=O)C1=CC(C2=CC=C(OC)C(OC)=C2)=NN1)C1=N[N-]N=N1	REAL000000003182	1	47	-1.0	-46.95	394.46	2.91	-44.04
CCCC(NC(=O)C1=CC(C2=CC=C(OC)C(OC)=C2)=NN1)C1=NNN=N1	REAL000000003182	1	48	0.0	-12.52	390.66	2.59	-9.93
CCCC(NC(=O)CCC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000003183	0	38	-1.0	-43.91	341.67	5.73	-38.18
CCCC(NC(=O)CCC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000003183	1	38	-1.0	-43.92	341.61	5.73	-38.19
CCCC(NC(=O)CCC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000003183	1	39	0.0	-10.13	345.05	5.75	-4.39
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCC2)=CC=C1Cl)C1=NN=N[N-]1	REAL000000003184	0	44	-1.0	-52.42	392.62	2.40	-50.02
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCC2)=CC=C1Cl)C1=N[N-]N=N1	REAL000000003184	1	44	-1.0	-52.42	392.56	2.39	-50.03
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCC2)=CC=C1Cl)C1=NNN=N1	REAL000000003184	1	45	0.0	-14.96	396.00	2.41	-12.56
CCCC(NC(=O)C(F)(F)C1=CC(F)=CC=C1OC)C1=NN=N[N-]1	REAL000000003185	0	39	-1.0	-42.15	342.23	3.89	-38.25
CCCC(NC(=O)C(F)(F)C1=CC(F)=CC=C1OC)C1=N[N-]N=N1	REAL000000003185	1	39	-1.0	-42.16	342.17	3.89	-38.27
CCCC(NC(=O)C(CC)OC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL000000003186	0	42	-1.0	-50.68	356.34	5.94	-44.74
CCCC(NC(=O)C(CC)OC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL000000003186	1	42	-1.0	-50.68	356.29	5.93	-44.75
CCCC(NC(=O)C(CC)OC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000003186	1	43	0.0	-15.49	359.02	5.98	-9.52
CCCC(NC(=O)C1=CC=C(C(=O)C2=CNC=C2)C=C1)C1=NN=N[N-]1	REAL000000003187	0	42	-1.0	-50.99	356.70	4.85	-46.15
CCCC(NC(=O)C1=CC=C(C(=O)C2=CNC=C2)C=C1)C1=N[N-]N=N1	REAL000000003187	1	42	-1.0	-50.99	356.64	4.85	-46.14
CCCC(NC(=O)C1=CC=C(C(=O)C2=CNC=C2)C=C1)C1=NNN=N1	REAL000000003187	1	43	0.0	-15.12	359.85	4.86	-10.26
CCCC(NC(=O)C1=C(Br)C=CO1)C1=NN=N[N-]1	REAL000000003188	0	29	-1.0	-45.95	277.23	2.27	-43.68
CCCC(NC(=O)C1=C(Br)C=CO1)C1=N[N-]N=N1	REAL000000003188	1	29	-1.0	-45.95	277.17	2.27	-43.68
CCCC(NC(=O)C1=C(Br)C=CO1)C1=NNN=N1	REAL000000003188	1	30	0.0	-8.58	273.43	1.94	-6.64
CCCC(NC(=O)C(C)C1=CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL000000003189	0	41	-1.0	-51.10	345.88	5.93	-45.17
CCCC(NC(=O)C(C)C1=CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL000000003189	1	41	-1.0	-51.10	345.83	5.92	-45.17
CCCC(NC(=O)C(C)C1=CC2=CC=CC=C2O1)C1=NNN=N1	REAL000000003189	1	42	0.0	-15.90	349.26	5.94	-9.96
CCCC(NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000003190	0	57	-1.0	-48.29	439.01	2.98	-45.31
CCCC(NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000003190	1	57	-1.0	-48.29	438.95	2.98	-45.31
CCCC(NC(=O)CCOC1=CC=CC(C(N)=O)=C1)C1=NN=N[N-]1	REAL000000003191	0	43	-1.0	-50.56	363.37	0.76	-49.80
CCCC(NC(=O)CCOC1=CC=CC(C(N)=O)=C1)C1=N[N-]N=N1	REAL000000003191	1	43	-1.0	-50.56	363.32	0.76	-49.80
CCCC(NC(=O)CCOC1=CC=CC(C(N)=O)=C1)C1=NNN=N1	REAL000000003191	1	44	0.0	-17.21	366.75	0.77	-16.44
CCCC(NC(=O)C1=CC=C(CS(=O)(=O)C(F)F)C=C1)C1=NN=N[N-]1	REAL000000003192	0	41	-1.0	-54.63	372.43	2.24	-52.39
CCCC(NC(=O)C1=CC=C(CS(=O)(=O)C(F)F)C=C1)C1=N[N-]N=N1	REAL000000003192	1	41	-1.0	-54.63	372.37	2.24	-52.39
CCCC(NC(=O)C1=CC=C(CS(=O)(=O)C(F)F)C=C1)C1=NNN=N1	REAL000000003192	1	42	0.0	-17.83	375.80	2.25	-15.58
CCCC(NC(=O)CCCOC1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL000000003193	0	48	-1.0	-49.40	388.75	5.95	-43.46
CCCC(NC(=O)CCCOC1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL000000003193	1	48	-1.0	-49.40	388.69	5.94	-43.47
CCCC(NC(=O)CCCOC1=CC=C(C)C(C)=C1)C1=NNN=N1	REAL000000003193	1	49	0.0	-10.96	384.94	5.63	-5.33
CCCC(NC(=O)C1=C(C)OC(C2=CN(C)N=C2)=N1)C1=NN=N[N-]1	REAL000000003194	0	41	-1.0	-49.12	356.17	0.62	-48.50
CCCC(NC(=O)C1=C(C)OC(C2=CN(C)N=C2)=N1)C1=N[N-]N=N1	REAL000000003194	1	41	-1.0	-49.12	356.12	0.62	-48.50
CCCC(NC(=O)C1=C(C)OC(C2=CN(C)N=C2)=N1)C1=NNN=N1	REAL000000003194	1	42	0.0	-13.09	359.55	0.63	-12.46
CCCC(NC(=O)CCC1=NN=C(C(C)C)O1)C1=NN=N[N-]1	REAL000000003195	0	42	-1.0	-45.66	354.79	-0.57	-46.24
CCCC(NC(=O)CCC1=NN=C(C(C)C)O1)C1=N[N-]N=N1	REAL000000003195	1	42	-1.0	-45.66	354.73	-0.57	-46.24
CCCC(NC(=O)CCC1=NN=C(C(C)C)O1)C1=NNN=N1	REAL000000003195	1	43	0.0	-11.12	350.98	-0.89	-12.01
CCCC(NC(=O)C1=CC=C(OCCCOC)C=C1)C1=NN=N[N-]1	REAL000000003196	0	46	-1.0	-48.09	380.78	3.77	-44.31
CCCC(NC(=O)C1=CC=C(OCCCOC)C=C1)C1=N[N-]N=N1	REAL000000003196	1	46	-1.0	-48.07	380.73	3.77	-44.31
CCCC(NC(=O)C1=CC=C(OCCCOC)C=C1)C1=NNN=N1	REAL000000003196	1	47	0.0	-9.85	376.97	3.45	-6.40
CCCC(NC(=O)C1=CC(=O)C(OCC2=CC=CC=C2)=CO1)C1=NN=N[N-]1	REAL000000003197	0	45	-1.0	-49.63	388.77	5.63	-44.00
CCCC(NC(=O)C1=CC(=O)C(OCC2=CC=CC=C2)=CO1)C1=N[N-]N=N1	REAL000000003197	1	45	-1.0	-49.62	388.71	5.63	-43.99
CCCC(NC(=O)C1=CC(=O)C(OCC2=CC=CC=C2)=CO1)C1=NNN=N1	REAL000000003197	1	46	0.0	-16.33	384.95	5.32	-11.01
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C1=NN=N[N-]1	REAL000000003198	0	43	-1.0	-48.48	379.76	7.06	-41.42
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C1=N[N-]N=N1	REAL000000003198	1	43	-1.0	-48.47	379.70	7.06	-41.41
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C1=NNN=N1	REAL000000003198	1	44	0.0	-12.78	383.14	7.07	-5.71
CCCC(NC(=O)C1=CC=C(SC2=CC=CC=C2C#N)C=C1)C1=NN=N[N-]1	REAL000000003199	0	44	-1.0	-51.28	393.76	7.99	-43.29
CCCC(NC(=O)C1=CC=C(SC2=CC=CC=C2C#N)C=C1)C1=N[N-]N=N1	REAL000000003199	1	44	-1.0	-51.28	393.70	7.98	-43.31
CCCC(NC(=O)C1=CC=C(SC2=CC=CC=C2C#N)C=C1)C1=NNN=N1	REAL000000003199	1	45	0.0	-15.16	397.67	8.03	-7.13
CCCC(NC(=O)C1=CC=C(F)C(CSC)=C1)C1=NN=N[N-]1	REAL000000003200	0	39	-1.0	-45.49	345.76	5.56	-39.93
CCCC(NC(=O)C1=CC=C(F)C(CSC)=C1)C1=N[N-]N=N1	REAL000000003200	1	39	-1.0	-45.49	345.70	5.56	-39.93
CCCC(NC(=O)C1=CC=C(F)C(CSC)=C1)C1=NNN=N1	REAL000000003200	1	40	0.0	-12.19	349.13	5.57	-6.62
CCCC(NC(=O)C1=CN=C(C2=CC=C(C(F)(F)F)C=C2)S1)C1=NN=N[N-]1	REAL000000003201	0	41	-1.0	-44.50	379.83	5.55	-38.95
CCCC(NC(=O)C1=CN=C(C2=CC=C(C(F)(F)F)C=C2)S1)C1=N[N-]N=N1	REAL000000003201	1	41	-1.0	-44.49	379.78	5.54	-38.95
CCCC(NC(=O)C1=CN=C(C2=CC=C(C(F)(F)F)C=C2)S1)C1=NNN=N1	REAL000000003201	1	42	0.0	-11.47	383.21	5.55	-5.92
CCCC(NC(=O)C1=CN(CC(=O)NC2CCCCC2)N=C1)C1=NN=N[N-]1	REAL000000003202	0	52	-1.0	-57.29	422.08	3.54	-53.75
CCCC(NC(=O)C1=CN(CC(=O)NC2CCCCC2)N=C1)C1=N[N-]N=N1	REAL000000003202	1	52	-1.0	-57.28	422.03	3.53	-53.75
CCCC(NC(=O)C1=CN(CC(=O)NC2CCCCC2)N=C1)C1=NNN=N1	REAL000000003202	1	53	0.0	-20.00	425.46	3.55	-16.45
CCCC(NC(=O)CC(C)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000003203	0	45	-1.0	-46.54	363.30	4.86	-41.68
CCCC(NC(=O)CC(C)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000003203	1	45	-1.0	-46.54	363.24	4.86	-41.68
CCCC(NC(=O)CC(C)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000003203	1	46	0.0	-10.97	366.68	4.88	-6.09
CCCC(NC(=O)C1=CC=CC(SCC#N)=C1)C1=NN=N[N-]1	REAL000000003204	0	37	-1.0	-54.59	335.36	5.27	-49.32
CCCC(NC(=O)C1=CC=CC(SCC#N)=C1)C1=N[N-]N=N1	REAL000000003204	1	37	-1.0	-54.59	335.30	5.26	-49.33
CCCC(NC(=O)C1=CC=CC(SCC#N)=C1)C1=NNN=N1	REAL000000003204	1	38	0.0	-18.73	338.72	5.28	-13.45
CCCC(NC(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000003205	0	40	-1.0	-51.15	336.66	5.46	-45.68
CCCC(NC(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000003205	1	40	-1.0	-51.15	336.60	5.47	-45.68
CCCC(NC(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000003205	1	41	0.0	-17.63	340.18	5.48	-12.15
CCCC(NC(=O)C1=CC=C2C=CC(Cl)=CC2=N1)C1=NN=N[N-]1	REAL000000003206	0	37	-1.0	-47.06	334.51	4.57	-42.49
CCCC(NC(=O)C1=CC=C2C=CC(Cl)=CC2=N1)C1=N[N-]N=N1	REAL000000003206	1	37	-1.0	-47.06	334.45	4.57	-42.48
CCCC(NC(=O)C1=CC=C2C=CC(Cl)=CC2=N1)C1=NNN=N1	REAL000000003206	1	38	0.0	-10.48	337.89	4.58	-5.90
CCCC(NC(=O)C1=CC=C(OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000003207	0	45	-1.0	-46.75	354.63	4.80	-41.95
CCCC(NC(=O)C1=CC=C(OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000003207	1	45	-1.0	-46.75	354.57	4.80	-41.95
CCCC(NC(=O)C1=CC=C(OC(C)(C)C)C=C1)C1=NNN=N1	REAL000000003207	1	46	0.0	-8.23	350.83	4.47	-3.76
CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2)C=N1)C1=NN=N[N-]1	REAL000000003208	0	39	-1.0	-48.16	350.93	6.44	-41.72
CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2)C=N1)C1=N[N-]N=N1	REAL000000003208	1	39	-1.0	-48.16	350.87	6.43	-41.73
CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2)C=N1)C1=NNN=N1	REAL000000003208	1	40	0.0	-11.65	354.31	6.45	-5.20
CCCC(NC(=O)CCCC1=CC=C(C)S1)C1=NN=N[N-]1	REAL000000003209	0	41	-1.0	-46.98	353.98	5.82	-41.17
CCCC(NC(=O)CCCC1=CC=C(C)S1)C1=N[N-]N=N1	REAL000000003209	1	41	-1.0	-46.98	353.93	5.81	-41.17
CCCC(NC(=O)CCCC1=CC=C(C)S1)C1=NNN=N1	REAL000000003209	1	42	0.0	-12.27	357.36	5.83	-6.45
CCCC(NC(=O)C1=CC=C(C2(C)NC(=O)NC2=O)C=C1)C1=NN=N[N-]1	REAL000000003210	0	44	-1.0	-51.16	370.33	0.71	-50.45
CCCC(NC(=O)C1=CC=C(C2(C)NC(=O)NC2=O)C=C1)C1=N[N-]N=N1	REAL000000003210	1	44	-1.0	-51.16	370.27	0.70	-50.47
CCCC(NC(=O)C1=CC=C(C2(C)NC(=O)NC2=O)C=C1)C1=NNN=N1	REAL000000003210	1	45	0.0	-15.80	373.78	0.71	-15.09
CCCC(NC(=O)CN1C(C)=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000003211	0	41	-1.0	-52.31	346.09	5.16	-47.15
CCCC(NC(=O)CN1C(C)=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000003211	1	41	-1.0	-52.30	346.03	5.15	-47.15
CCCC(NC(=O)CN1C(C)=NC2=CC=CC=C21)C1=NNN=N1	REAL000000003211	1	42	0.0	-19.49	349.46	5.17	-14.32
CCCC(NC(=O)C1=CC2=C(C=O)C=CC(OC)=C2O1)C1=NN=N[N-]1	REAL000000003212	0	41	-1.0	-57.51	356.20	3.04	-54.47
CCCC(NC(=O)C1=CC2=C(C=O)C=CC(OC)=C2O1)C1=N[N-]N=N1	REAL000000003212	1	41	-1.0	-57.52	356.15	3.05	-54.47
CCCC(NC(=O)C1=CC2=C(C=O)C=CC(OC)=C2O1)C1=NNN=N1	REAL000000003212	1	42	0.0	-16.79	352.40	2.72	-14.06
CCCC(NC(=O)C=C(C)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000003213	0	39	-1.0	-45.20	345.61	6.17	-39.03
CCCC(NC(=O)C=C(C)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000003213	1	39	-1.0	-45.19	345.55	6.16	-39.03
CCCC(NC(=O)C=C(C)C1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000003213	1	40	0.0	-9.62	348.98	6.18	-3.44
CCCC(NC(=O)C1=CC(=O)NC2=C(Br)C=CC=C12)C1=NN=N[N-]1	REAL000000003214	0	38	-1.0	-42.10	339.59	3.43	-38.67
CCCC(NC(=O)C1=CC(=O)NC2=C(Br)C=CC=C12)C1=N[N-]N=N1	REAL000000003214	1	38	-1.0	-42.09	339.53	3.42	-38.67
CCCC(NC(=O)C1=CC(=O)NC2=C(Br)C=CC=C12)C1=NNN=N1	REAL000000003214	1	39	0.0	-11.04	342.96	3.44	-7.61
CCCC(NC(=O)C(C)SC1=C2C=CC(Cl)=CC2=NC=C1)C1=NN=N[N-]1	REAL000000003215	0	44	-1.0	-48.09	390.86	5.99	-42.10
CCCC(NC(=O)C(C)SC1=C2C=CC(Cl)=CC2=NC=C1)C1=N[N-]N=N1	REAL000000003215	1	44	-1.0	-48.08	390.80	5.99	-42.09
CCCC(NC(=O)C(C)SC1=C2C=CC(Cl)=CC2=NC=C1)C1=NNN=N1	REAL000000003215	1	45	0.0	-13.19	394.10	6.00	-7.19
CCCC(NC(=O)C1=CC(C)=C(OCC(=O)OC)C(C)=C1)C1=NN=N[N-]1	REAL000000003216	0	48	-1.0	-50.43	404.21	6.14	-44.29
CCCC(NC(=O)C1=CC(C)=C(OCC(=O)OC)C(C)=C1)C1=N[N-]N=N1	REAL000000003216	1	48	-1.0	-50.43	404.15	6.13	-44.29
CCCC(NC(=O)C1=CC(C)=C(OCC(=O)OC)C(C)=C1)C1=NNN=N1	REAL000000003216	1	49	0.0	-12.24	400.39	5.82	-6.42
CCCC(NC(=O)C1=CC(OC2=CC=CC=C2)=CC=N1)C1=NN=N[N-]1	REAL000000003217	0	42	-1.0	-48.04	362.26	4.85	-43.19
CCCC(NC(=O)C1=CC(OC2=CC=CC=C2)=CC=N1)C1=N[N-]N=N1	REAL000000003217	1	42	-1.0	-48.04	362.20	4.85	-43.19
CCCC(NC(=O)C1=CC(OC2=CC=CC=C2)=CC=N1)C1=NNN=N1	REAL000000003217	1	43	0.0	-9.60	358.44	4.54	-5.07
CCCC(NC(=O)C1=C2C=C(Cl)C=CC2=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL000000003218	0	44	-1.0	-46.58	376.90	6.57	-40.01
CCCC(NC(=O)C1=C2C=C(Cl)C=CC2=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL000000003218	1	44	-1.0	-46.58	376.84	6.56	-40.02
CCCC(NC(=O)C1=C2C=C(Cl)C=CC2=NC(C2CC2)=C1)C1=NNN=N1	REAL000000003218	1	45	0.0	-11.94	380.27	6.58	-5.36
CCCC(NC(=O)CCSC1=C2C=CC(Cl)=CC2=NC=C1)C1=NN=N[N-]1	REAL000000003219	0	44	-1.0	-45.18	393.98	6.36	-38.81
CCCC(NC(=O)CCSC1=C2C=CC(Cl)=CC2=NC=C1)C1=N[N-]N=N1	REAL000000003219	1	44	-1.0	-45.17	393.93	6.35	-38.82
CCCC(NC(=O)CCSC1=C2C=CC(Cl)=CC2=NC=C1)C1=NNN=N1	REAL000000003219	1	45	0.0	-10.42	390.18	6.04	-4.38
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC=C1F)C1=NN=N[N-]1	REAL000000003220	0	35	-1.0	-47.02	317.60	4.73	-42.29
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC=C1F)C1=N[N-]N=N1	REAL000000003220	1	35	-1.0	-47.02	317.54	4.72	-42.30
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC=C1F)C1=NNN=N1	REAL000000003220	1	36	0.0	-11.73	320.98	4.74	-6.99
CCCC(NC(=O)C(C)SC1=CC=CC=N1)C1=NN=N[N-]1	REAL000000003221	0	38	-1.0	-48.20	332.53	4.14	-44.06
CCCC(NC(=O)C(C)SC1=CC=CC=N1)C1=N[N-]N=N1	REAL000000003221	1	38	-1.0	-48.20	332.47	4.13	-44.07
CCCC(NC(=O)C(C)SC1=CC=CC=N1)C1=NNN=N1	REAL000000003221	1	39	0.0	-11.64	335.90	4.15	-7.49
CCCC(NC(=O)C=CSCC1=CC=CO1)C1=NN=N[N-]1	REAL000000003222	0	37	-1.0	-46.68	336.71	4.28	-42.40
CCCC(NC(=O)C=CSCC1=CC=CO1)C1=N[N-]N=N1	REAL000000003222	1	37	-1.0	-46.68	336.65	4.27	-42.41
CCCC(NC(=O)C=CSCC1=CC=CO1)C1=NNN=N1	REAL000000003222	1	38	0.0	-11.41	340.09	4.30	-7.11
CCCC(NC(=O)CC1=CC=CC(I)=C1)C1=NN=N[N-]1	REAL000000003223	0	35	-1.0	-44.54	326.76	5.41	-39.13
CCCC(NC(=O)CC1=CC=CC(I)=C1)C1=N[N-]N=N1	REAL000000003223	1	35	-1.0	-44.54	326.70	5.40	-39.13
CCCC(NC(=O)CC1=CC=CC(I)=C1)C1=NNN=N1	REAL000000003223	1	36	0.0	-11.72	330.13	5.41	-6.31
CCCC(NC(=O)CC1=CC=C(OC)C=C1Cl)C1=NN=N[N-]1	REAL000000003224	0	39	-1.0	-45.28	342.70	4.05	-41.23
CCCC(NC(=O)CC1=CC=C(OC)C=C1Cl)C1=N[N-]N=N1	REAL000000003224	1	39	-1.0	-45.28	342.65	4.05	-41.23
CCCC(NC(=O)CC1=CC=C(OC)C=C1Cl)C1=NNN=N1	REAL000000003224	1	40	0.0	-9.90	338.90	3.74	-6.16
CCCC(NC(=O)C1=CC(F)=CC([N+](=O)[O-])=C1Br)C1=NN=N[N-]1	REAL000000003225	0	34	-1.0	-43.88	320.08	4.85	-39.02
CCCC(NC(=O)C1=CC(F)=CC([N+](=O)[O-])=C1Br)C1=N[N-]N=N1	REAL000000003225	1	34	-1.0	-43.88	320.02	4.85	-39.02
CCCC(NC(=O)C1=CC(F)=CC([N+](=O)[O-])=C1Br)C1=NNN=N1	REAL000000003225	1	35	0.0	-9.48	316.26	4.54	-4.94
CCCC(NC(=O)CCC(=O)C1=CC=C(OC)C(F)=C1)C1=NN=N[N-]1	REAL000000003226	0	44	-1.0	-46.33	376.19	4.37	-41.96
CCCC(NC(=O)CCC(=O)C1=CC=C(OC)C(F)=C1)C1=N[N-]N=N1	REAL000000003226	1	44	-1.0	-46.33	376.13	4.36	-41.98
CCCC(NC(=O)CCC(=O)C1=CC=C(OC)C(F)=C1)C1=NNN=N1	REAL000000003226	1	45	0.0	-12.83	372.38	4.04	-8.79
CCCC(NC(=O)CCC1=CC=C(Br)C(C)=C1)C1=NN=N[N-]1	REAL000000003227	0	41	-1.0	-44.06	359.88	6.31	-37.75
CCCC(NC(=O)CCC1=CC=C(Br)C(C)=C1)C1=N[N-]N=N1	REAL000000003227	1	41	-1.0	-44.06	359.82	6.31	-37.75
CCCC(NC(=O)CCC1=CC=C(Br)C(C)=C1)C1=NNN=N1	REAL000000003227	1	42	0.0	-10.17	363.26	6.32	-3.85
CCCC(NC(=O)C1=CC=C(CNS(C)(=O)=O)O1)C1=NN=N[N-]1	REAL000000003228	0	40	-1.0	-57.62	359.02	-1.36	-58.98
CCCC(NC(=O)C1=CC=C(CNS(C)(=O)=O)O1)C1=N[N-]N=N1	REAL000000003228	1	40	-1.0	-57.63	358.96	-1.37	-59.00
CCCC(NC(=O)C1=CC=C(CNS(C)(=O)=O)O1)C1=NNN=N1	REAL000000003228	1	41	0.0	-20.56	362.40	-1.35	-21.91
CCCC(NC(=O)C1=CN=CC(C2=CC=C(N(C)C)C=C2)=C1)C1=NN=N[N-]1	REAL000000003229	0	49	-1.0	-47.95	395.14	5.69	-42.26
CCCC(NC(=O)C1=CN=CC(C2=CC=C(N(C)C)C=C2)=C1)C1=N[N-]N=N1	REAL000000003229	1	49	-1.0	-47.94	395.08	5.69	-42.25
CCCC(NC(=O)C1=CN=CC(C2=CC=C(N(C)C)C=C2)=C1)C1=NNN=N1	REAL000000003229	1	50	0.0	-9.56	392.33	5.39	-4.18
CCCC(NC(=O)CCCCNC(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000003230	0	52	-1.0	-51.96	435.37	4.62	-47.34
CCCC(NC(=O)CCCCNC(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000003230	1	52	-1.0	-51.95	435.31	4.62	-47.33
CCCC(NC(=O)CCCCNC(=O)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000003230	1	53	0.0	-17.08	438.74	4.63	-12.45
CCCC(NC(=O)C1=CC=C(C(=O)CC)C=C1)C1=NN=N[N-]1	REAL000000003231	0	40	-1.0	-49.85	337.39	4.94	-44.91
CCCC(NC(=O)C1=CC=C(C(=O)CC)C=C1)C1=N[N-]N=N1	REAL000000003231	1	40	-1.0	-49.85	337.33	4.94	-44.91
CCCC(NC(=O)C1=CC=C(C(=O)CC)C=C1)C1=NNN=N1	REAL000000003231	1	41	0.0	-16.14	340.77	4.94	-11.20
CCCC(NC(=O)CN(CC(C)C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000003232	0	54	-1.0	-55.52	415.35	5.62	-49.90
CCCC(NC(=O)CN(CC(C)C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000003232	1	54	-1.0	-55.50	415.29	5.61	-49.89
CCCC(NC(=O)CN(CC(C)C)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003232	1	55	0.0	-15.47	418.76	5.63	-9.84
CCCC(NC(=O)COCC=CC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000003233	0	43	-1.0	-50.31	364.59	5.99	-44.33
CCCC(NC(=O)COCC=CC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000003233	1	43	-1.0	-50.32	364.53	5.99	-44.33
CCCC(NC(=O)COCC=CC1=CC=CC=C1)C1=NNN=N1	REAL000000003233	1	44	0.0	-15.07	367.97	6.00	-9.07
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL000000003234	0	44	-1.0	-49.36	392.08	1.09	-48.27
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL000000003234	1	44	-1.0	-49.35	392.02	1.08	-48.27
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CC=C(C#N)C=C1)C1=NNN=N1	REAL000000003234	1	45	0.0	-14.64	388.25	0.78	-13.86
CCCC(NC(=O)CC(C)C1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000003235	0	61	-1.0	-50.85	456.67	6.38	-44.48
CCCC(NC(=O)CC(C)C1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000003235	1	61	-1.0	-50.85	456.61	6.38	-44.47
CCCC(NC(=O)CC(C)C1CCCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000003235	1	62	0.0	-14.84	460.05	6.39	-8.46
CCCC(NC(=O)C1=CC=C(F)C(I)=C1)C1=NN=N[N-]1	REAL000000003236	0	32	-1.0	-41.71	307.64	4.78	-36.93
CCCC(NC(=O)C1=CC=C(F)C(I)=C1)C1=N[N-]N=N1	REAL000000003236	1	32	-1.0	-41.70	307.58	4.78	-36.93
CCCC(NC(=O)C1=CC=C(F)C(I)=C1)C1=NNN=N1	REAL000000003236	1	33	0.0	-8.83	311.01	4.79	-4.04
CCCC(NC(=O)C1=CN(CC(F)(F)F)N=C1C)C1=NN=N[N-]1	REAL000000003237	0	38	-1.0	-52.09	336.88	3.34	-48.74
CCCC(NC(=O)C1=CN(CC(F)(F)F)N=C1C)C1=N[N-]N=N1	REAL000000003237	1	38	-1.0	-52.08	336.82	3.35	-48.73
CCCC(NC(=O)C1=CN(CC(F)(F)F)N=C1C)C1=NNN=N1	REAL000000003237	1	39	0.0	-17.75	340.24	3.35	-14.40
CCCC(NC(=O)C(C)CC1=CC=C(F)C(Br)=C1)C1=NN=N[N-]1	REAL000000003238	0	41	-1.0	-44.85	362.75	6.26	-38.58
CCCC(NC(=O)C(C)CC1=CC=C(F)C(Br)=C1)C1=N[N-]N=N1	REAL000000003238	1	41	-1.0	-44.84	362.69	6.26	-38.58
CCCC(NC(=O)C(C)CC1=CC=C(F)C(Br)=C1)C1=NNN=N1	REAL000000003238	1	42	0.0	-10.99	366.12	6.27	-4.72
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=C(C)O1)C1=NN=N[N-]1	REAL000000003239	0	37	-1.0	-53.02	333.57	-2.58	-55.60
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=C(C)O1)C1=N[N-]N=N1	REAL000000003239	1	37	-1.0	-53.02	333.51	-2.59	-55.61
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=C(C)O1)C1=NNN=N1	REAL000000003239	1	38	0.0	-17.49	336.95	-2.57	-20.06
CCCC(NC(=O)CNS(=O)(=O)C1=CN(C)C=N1)C1=NN=N[N-]1	REAL000000003240	0	40	-1.0	-56.42	357.09	-0.87	-57.29
CCCC(NC(=O)CNS(=O)(=O)C1=CN(C)C=N1)C1=N[N-]N=N1	REAL000000003240	1	40	-1.0	-56.42	357.03	-0.87	-57.29
CCCC(NC(=O)CNS(=O)(=O)C1=CN(C)C=N1)C1=NNN=N1	REAL000000003240	1	41	0.0	-17.78	353.28	-1.18	-18.95
CCCC(NC(=O)C1=CC=C(C(C)CC)C=C1)C1=NN=N[N-]1	REAL000000003241	0	44	-1.0	-46.36	352.95	6.24	-40.13
CCCC(NC(=O)C1=CC=C(C(C)CC)C=C1)C1=N[N-]N=N1	REAL000000003241	1	44	-1.0	-46.36	352.90	6.23	-40.14
CCCC(NC(=O)C1=CC=C(C(C)CC)C=C1)C1=NNN=N1	REAL000000003241	1	45	0.0	-10.33	356.33	6.24	-4.09
CCCC(NC(=O)CC1=CC=C([N+](=O)[O-])C=C1Br)C1=NN=N[N-]1	REAL000000003242	0	37	-1.0	-48.91	344.85	5.46	-43.44
CCCC(NC(=O)CC1=CC=C([N+](=O)[O-])C=C1Br)C1=N[N-]N=N1	REAL000000003242	1	37	-1.0	-48.90	344.80	5.46	-43.43
CCCC(NC(=O)CC1=CC=C([N+](=O)[O-])C=C1Br)C1=NNN=N1	REAL000000003242	1	38	0.0	-15.64	348.23	5.47	-10.17
CCCC(NC(=O)CCC1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000003243	0	40	-1.0	-51.07	348.59	5.79	-45.28
CCCC(NC(=O)CCC1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000003243	1	40	-1.0	-51.06	348.54	5.78	-45.28
CCCC(NC(=O)CCC1=CC=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000003243	1	41	0.0	-15.89	351.97	5.80	-10.09
CCCC(NC(=O)C1=CN=C(CC2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL000000003244	0	41	-1.0	-46.05	364.85	5.28	-40.77
CCCC(NC(=O)C1=CN=C(CC2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL000000003244	1	41	-1.0	-46.05	364.79	5.27	-40.78
CCCC(NC(=O)C1=CN=C(CC2=CC=CC=C2)S1)C1=NNN=N1	REAL000000003244	1	42	0.0	-11.84	368.23	5.28	-6.56
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=C(C)S1)C1=NN=N[N-]1	REAL000000003245	0	42	-1.0	-46.80	371.17	7.00	-39.81
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=C(C)S1)C1=N[N-]N=N1	REAL000000003245	1	42	-1.0	-46.81	371.11	7.00	-39.81
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=C(C)S1)C1=NNN=N1	REAL000000003245	1	43	0.0	-11.23	374.54	7.00	-4.23
CCCC(NC(=O)C1=CC=C(C(C)(C)C)S1)C1=NN=N[N-]1	REAL000000003246	0	41	-1.0	-45.67	346.95	5.27	-40.40
CCCC(NC(=O)C1=CC=C(C(C)(C)C)S1)C1=N[N-]N=N1	REAL000000003246	1	41	-1.0	-45.68	346.89	5.26	-40.42
CCCC(NC(=O)C1=CC=C(C(C)(C)C)S1)C1=NNN=N1	REAL000000003246	1	42	0.0	-9.50	350.33	5.28	-4.21
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=C1)C1=NN=N[N-]1	REAL000000003247	0	46	-1.0	-49.82	402.25	6.96	-42.86
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=C1)C1=N[N-]N=N1	REAL000000003247	1	46	-1.0	-49.82	402.19	6.96	-42.86
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=C1)C1=NNN=N1	REAL000000003247	1	47	0.0	-12.34	405.63	6.97	-5.36
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)N2CC(F)(F)F)C1=NN=N[N-]1	REAL000000003249	0	42	-1.0	-50.03	372.85	3.85	-46.18
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)N2CC(F)(F)F)C1=N[N-]N=N1	REAL000000003249	1	42	-1.0	-50.03	372.79	3.85	-46.18
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)N2CC(F)(F)F)C1=NNN=N1	REAL000000003249	1	43	0.0	-18.02	376.23	3.86	-14.16
CCCC(NC(=O)C1=CC(C)=CC=C1Br)C1=NN=N[N-]1	REAL000000003250	0	35	-1.0	-47.23	312.02	4.95	-42.29
CCCC(NC(=O)C1=CC(C)=CC=C1Br)C1=N[N-]N=N1	REAL000000003250	1	35	-1.0	-47.23	311.97	4.94	-42.29
CCCC(NC(=O)C1=CC(C)=CC=C1Br)C1=NNN=N1	REAL000000003250	1	36	0.0	-11.23	315.40	4.96	-6.27
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL000000003251	0	38	-1.0	-47.53	357.28	2.12	-45.41
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL000000003251	1	38	-1.0	-47.53	357.22	2.12	-45.41
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000003251	1	39	0.0	-15.00	360.66	2.13	-12.87
CCCC(NC(=O)CCC(=O)C1=C(Cl)SC(Cl)=C1)C1=NN=N[N-]1	REAL000000003252	0	37	-1.0	-43.31	362.77	5.17	-38.15
CCCC(NC(=O)CCC(=O)C1=C(Cl)SC(Cl)=C1)C1=N[N-]N=N1	REAL000000003252	1	37	-1.0	-43.31	362.72	5.17	-38.14
CCCC(NC(=O)CCC(=O)C1=C(Cl)SC(Cl)=C1)C1=NNN=N1	REAL000000003252	1	38	0.0	-10.03	366.15	5.18	-4.85
CCCC(NC(=O)CCC(=O)C1=CSC2=CC=CC=C12)C1=NN=N[N-]1	REAL000000003253	0	43	-1.0	-46.81	374.32	6.30	-40.51
CCCC(NC(=O)CCC(=O)C1=CSC2=CC=CC=C12)C1=N[N-]N=N1	REAL000000003253	1	43	-1.0	-46.81	374.26	6.29	-40.52
CCCC(NC(=O)CCC(=O)C1=CSC2=CC=CC=C12)C1=NNN=N1	REAL000000003253	1	44	0.0	-12.80	377.69	6.31	-6.49
CCCC(NC(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000003254	0	35	-1.0	-42.41	319.80	4.73	-37.69
CCCC(NC(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000003254	1	35	-1.0	-42.41	319.74	4.72	-37.69
CCCC(NC(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000003254	1	36	0.0	-9.79	323.18	4.73	-5.06
CCCC(NC(=O)CCCC1=CSC2=CC=CC=C12)C1=NN=N[N-]1	REAL000000003255	0	44	-1.0	-48.79	378.23	7.25	-41.54
CCCC(NC(=O)CCCC1=CSC2=CC=CC=C12)C1=N[N-]N=N1	REAL000000003255	1	44	-1.0	-48.79	378.17	7.24	-41.55
CCCC(NC(=O)CCCC1=CSC2=CC=CC=C12)C1=NNN=N1	REAL000000003255	1	45	0.0	-14.11	381.60	7.26	-6.85
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NN1C)C1=NN=N[N-]1	REAL000000003256	0	42	-1.0	-43.82	371.25	5.45	-38.38
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NN1C)C1=N[N-]N=N1	REAL000000003256	1	42	-1.0	-43.82	371.19	5.45	-38.37
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NN1C)C1=NNN=N1	REAL000000003256	1	43	0.0	-11.55	374.66	5.46	-6.08
CCCC(NC(=O)CCCOC1=CC=C(C)C=C1C)C1=NN=N[N-]1	REAL000000003257	0	48	-1.0	-48.88	391.83	6.16	-42.72
CCCC(NC(=O)CCCOC1=CC=C(C)C=C1C)C1=N[N-]N=N1	REAL000000003257	1	48	-1.0	-48.88	391.77	6.15	-42.73
CCCC(NC(=O)CCCOC1=CC=C(C)C=C1C)C1=NNN=N1	REAL000000003257	1	49	0.0	-10.55	388.02	5.84	-4.72
CCCC(NC(=O)CCCC1=C(Cl)SC(Cl)=C1)C1=NN=N[N-]1	REAL000000003258	0	38	-1.0	-45.46	364.28	6.03	-39.43
CCCC(NC(=O)CCCC1=C(Cl)SC(Cl)=C1)C1=N[N-]N=N1	REAL000000003258	1	38	-1.0	-45.46	364.22	6.02	-39.44
CCCC(NC(=O)CCCC1=C(Cl)SC(Cl)=C1)C1=NNN=N1	REAL000000003258	1	39	0.0	-11.56	367.65	6.04	-5.52
CCCC(NC(=O)C1=CC(I)=CC(C)=C1C)C1=NN=N[N-]1	REAL000000003259	0	38	-1.0	-43.41	335.06	5.95	-37.46
CCCC(NC(=O)C1=CC(I)=CC(C)=C1C)C1=N[N-]N=N1	REAL000000003259	1	38	-1.0	-43.42	335.00	5.95	-37.47
CCCC(NC(=O)C1=CC(I)=CC(C)=C1C)C1=NNN=N1	REAL000000003259	1	39	0.0	-8.24	338.44	5.96	-2.28
CCCC(NC(=O)C1=CC=CC(OC(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000003261	0	36	-1.0	-45.75	320.33	3.44	-42.31
CCCC(NC(=O)C1=CC=CC(OC(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000003261	1	36	-1.0	-45.75	320.27	3.44	-42.31
CCCC(NC(=O)C1=CC=CC(OC(F)(F)F)=C1)C1=NNN=N1	REAL000000003261	1	37	0.0	-11.69	323.71	3.44	-8.25
CCCC(NC(=O)C1=CC(I)=CC=C1C)C1=NN=N[N-]1	REAL000000003262	0	35	-1.0	-43.45	318.21	5.42	-38.03
CCCC(NC(=O)C1=CC(I)=CC=C1C)C1=N[N-]N=N1	REAL000000003262	1	35	-1.0	-43.44	318.15	5.43	-38.02
CCCC(NC(=O)C1=CC(I)=CC=C1C)C1=NNN=N1	REAL000000003262	1	36	0.0	-8.20	321.59	5.43	-2.77
CCCC(NC(=O)CCSC1=CC=CC=N1)C1=NN=N[N-]1	REAL000000003263	0	38	-1.0	-49.59	337.26	4.00	-45.59
CCCC(NC(=O)CCSC1=CC=CC=N1)C1=N[N-]N=N1	REAL000000003263	1	38	-1.0	-49.59	337.20	4.00	-45.59
CCCC(NC(=O)CCSC1=CC=CC=N1)C1=NNN=N1	REAL000000003263	1	39	0.0	-13.75	340.63	4.01	-9.74
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL000000003264	0	43	-1.0	-52.12	376.65	-1.58	-53.70
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL000000003264	1	43	-1.0	-52.11	376.59	-1.59	-53.70
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CN(C)N=C1)C1=NNN=N1	REAL000000003264	1	44	0.0	-19.78	380.03	-1.57	-21.35
CCCC(NC(=O)C1=CC(NC(=O)OC)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000003265	0	43	-1.0	-47.30	380.58	2.89	-44.41
CCCC(NC(=O)C1=CC(NC(=O)OC)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000003265	1	43	-1.0	-47.30	380.52	2.88	-44.42
CCCC(NC(=O)C1=CC(NC(=O)OC)=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000003265	1	44	0.0	-12.00	383.95	2.91	-9.10
CCCC(NC(=O)C1=CC=C(Br)C(Cl)=C1)C1=NN=N[N-]1	REAL000000003266	0	32	-1.0	-41.74	310.44	4.72	-37.02
CCCC(NC(=O)C1=CC=C(Br)C(Cl)=C1)C1=N[N-]N=N1	REAL000000003266	1	32	-1.0	-41.74	310.38	4.72	-37.02
CCCC(NC(=O)C1=CC=C(Br)C(Cl)=C1)C1=NNN=N1	REAL000000003266	1	33	0.0	-6.29	306.63	4.40	-1.89
CCCC(NC(=O)C1=CC=NC=C1Br)C1=NN=N[N-]1	REAL000000003267	0	31	-1.0	-44.88	286.01	2.49	-42.38
CCCC(NC(=O)C1=CC=NC=C1Br)C1=N[N-]N=N1	REAL000000003267	1	31	-1.0	-44.86	285.95	2.49	-42.38
CCCC(NC(=O)C1=CC=NC=C1Br)C1=NNN=N1	REAL000000003267	1	32	0.0	-11.74	289.39	2.50	-9.24
CCCC(NC(=O)C1=CC(OC)=C(S(N)(=O)=O)S1)C1=NN=N[N-]1	REAL000000003268	0	38	-1.0	-49.75	351.11	-3.00	-52.75
CCCC(NC(=O)C1=CC(OC)=C(S(N)(=O)=O)S1)C1=N[N-]N=N1	REAL000000003268	1	38	-1.0	-49.75	351.05	-3.00	-52.75
CCCC(NC(=O)C1=CC(OC)=C(S(N)(=O)=O)S1)C1=NNN=N1	REAL000000003268	1	39	0.0	-19.00	355.24	-3.02	-22.02
CCCC(NC(=O)C1=CC2=CC(OC)=CC=C2OC1)C1=NN=N[N-]1	REAL000000003269	0	42	-1.0	-48.24	349.72	3.46	-44.78
CCCC(NC(=O)C1=CC2=CC(OC)=CC=C2OC1)C1=N[N-]N=N1	REAL000000003269	1	42	-1.0	-48.23	349.67	3.45	-44.78
CCCC(NC(=O)C1=CC2=CC(OC)=CC=C2OC1)C1=NNN=N1	REAL000000003269	1	43	0.0	-12.67	353.06	3.47	-9.20
CCCC(NC(=O)C1=CC(C2=CC=CC=C2F)=NN1)C1=NN=N[N-]1	REAL000000003270	0	39	-1.0	-46.60	340.30	3.82	-42.78
CCCC(NC(=O)C1=CC(C2=CC=CC=C2F)=NN1)C1=N[N-]N=N1	REAL000000003270	1	39	-1.0	-46.60	340.24	3.82	-42.78
CCCC(NC(=O)C1=CC(C2=CC=CC=C2F)=NN1)C1=NNN=N1	REAL000000003270	1	40	0.0	-13.81	343.68	3.83	-9.98
CCCC(NC(=O)C(=O)NC1=C(C)C=CC=C1C)C1=NN=N[N-]1	REAL000000003271	0	42	-1.0	-42.36	349.94	3.59	-38.77
CCCC(NC(=O)C(=O)NC1=C(C)C=CC=C1C)C1=N[N-]N=N1	REAL000000003271	1	42	-1.0	-42.35	349.89	3.58	-38.76
CCCC(NC(=O)C(=O)NC1=C(C)C=CC=C1C)C1=NNN=N1	REAL000000003271	1	43	0.0	-9.26	353.06	3.59	-5.66
CCCC(NC(=O)C1=NN(C2CCCC2)C=C1)C1=NN=N[N-]1	REAL000000003272	0	42	-1.0	-48.91	342.74	4.08	-44.83
CCCC(NC(=O)C1=NN(C2CCCC2)C=C1)C1=N[N-]N=N1	REAL000000003272	1	42	-1.0	-48.91	342.68	4.07	-44.84
CCCC(NC(=O)C1=NN(C2CCCC2)C=C1)C1=NNN=N1	REAL000000003272	1	43	0.0	-9.01	337.20	3.68	-5.33
CCCC(NC(=O)C(C)CS(=O)(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000003273	0	44	-1.0	-47.81	380.38	2.98	-44.83
CCCC(NC(=O)C(C)CS(=O)(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000003273	1	44	-1.0	-47.81	380.33	2.97	-44.84
CCCC(NC(=O)C(C)CS(=O)(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000003273	1	45	0.0	-14.77	383.76	2.99	-11.78
CCCC(NC(=O)C(C)CSC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000003274	0	42	-1.0	-44.12	362.99	6.25	-37.87
CCCC(NC(=O)C(C)CSC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000003274	1	42	-1.0	-44.11	362.93	6.25	-37.86
CCCC(NC(=O)C(C)CSC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000003274	1	43	0.0	-10.24	366.37	6.26	-3.98
CCCC(NC(=O)CC1=C(CC)ON=C1CC)C1=NN=N[N-]1	REAL000000003275	0	43	-1.0	-49.52	357.96	4.64	-44.88
CCCC(NC(=O)CC1=C(CC)ON=C1CC)C1=N[N-]N=N1	REAL000000003275	1	43	-1.0	-49.50	357.90	4.63	-44.87
CCCC(NC(=O)CC1=C(CC)ON=C1CC)C1=NNN=N1	REAL000000003275	1	44	0.0	-12.00	354.16	4.31	-7.69
CCCC(NC(=O)C1=CC2=C(S1)N(C1=CC=CC=C1C)N=C2C)C1=NN=N[N-]1	REAL000000003276	0	48	-1.0	-47.67	407.36	7.60	-40.07
CCCC(NC(=O)CNC(=O)C1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL000000003277	0	42	-1.0	-47.13	363.49	3.18	-43.94
CCCC(NC(=O)CNC(=O)C1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL000000003277	1	42	-1.0	-47.13	363.43	3.17	-43.95
CCCC(NC(=O)CNC(=O)C1=CC=CC=C1C(F)(F)F)C1=NNN=N1	REAL000000003277	1	43	0.0	-15.15	366.86	3.19	-11.96
CCCC(NC(=O)CCC1=CN(C)C2=CC=CC=C12)C1=NN=N[N-]1	REAL000000003278	0	45	-1.0	-47.36	374.73	6.90	-40.46
CCCC(NC(=O)CCC1=CN(C)C2=CC=CC=C12)C1=N[N-]N=N1	REAL000000003278	1	45	-1.0	-47.35	374.67	6.90	-40.45
CCCC(NC(=O)CCC1=CN(C)C2=CC=CC=C12)C1=NNN=N1	REAL000000003278	1	46	0.0	-10.28	370.92	6.58	-3.70
CCCC(NC(=O)CCC1=CC=C2OCCC2=C1)C1=NN=N[N-]1	REAL000000003279	0	43	-1.0	-46.61	356.27	4.97	-41.64
CCCC(NC(=O)CCC1=CC=C2OCCC2=C1)C1=N[N-]N=N1	REAL000000003279	1	43	-1.0	-46.62	356.21	4.97	-41.65
CCCC(NC(=O)CCC1=CC=C2OCCC2=C1)C1=NNN=N1	REAL000000003279	1	44	0.0	-12.13	359.65	4.98	-7.15
CCCC(NC(=O)CCC(=O)N1CCN(C2=CC=CC=N2)CC1)C1=NN=N[N-]1	REAL000000003280	0	53	-1.0	-48.30	423.93	4.02	-44.28
CCCC(NC(=O)CCC(=O)N1CCN(C2=CC=CC=N2)CC1)C1=N[N-]N=N1	REAL000000003280	1	53	-1.0	-48.29	423.87	4.01	-44.28
CCCC(NC(=O)CCC(=O)N1CCN(C2=CC=CC=N2)CC1)C1=NNN=N1	REAL000000003280	1	54	0.0	-14.81	427.28	4.01	-10.80
CCCC(NC(=O)CCC(=O)N1CCN(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL000000003281	0	54	-1.0	-45.80	426.23	4.60	-41.21
CCCC(NC(=O)CCC(=O)N1CCN(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL000000003281	1	54	-1.0	-45.79	426.17	4.60	-41.20
CCCC(NC(=O)CCC(=O)N1CCN(C2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000003281	1	55	0.0	-12.42	429.61	4.61	-7.82
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL000000003282	0	47	-1.0	-54.97	405.79	-2.52	-57.49
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL000000003282	1	47	-1.0	-54.97	405.73	-2.52	-57.49
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C1=NNN=N1	REAL000000003282	1	48	0.0	-21.91	409.17	-2.51	-24.42
CCCC(NC(=O)C1=CC=NN1C1CCCC1)C1=NN=N[N-]1	REAL000000003283	0	42	-1.0	-45.07	339.41	4.29	-40.77
CCCC(NC(=O)C1=CC=NN1C1CCCC1)C1=N[N-]N=N1	REAL000000003283	1	42	-1.0	-45.06	339.35	4.29	-40.77
CCCC(NC(=O)C1=CC=NN1C1CCCC1)C1=NNN=N1	REAL000000003283	1	43	0.0	-10.63	342.64	4.31	-6.32
CCCC(NC(=O)CCC(=O)N1CCN(C2=NC=CC=N2)CC1)C1=NN=N[N-]1	REAL000000003284	0	52	-1.0	-49.46	420.27	4.25	-45.21
CCCC(NC(=O)CCC(=O)N1CCN(C2=NC=CC=N2)CC1)C1=N[N-]N=N1	REAL000000003284	1	52	-1.0	-49.46	420.21	4.24	-45.22
CCCC(NC(=O)CCC(=O)N1CCN(C2=NC=CC=N2)CC1)C1=NNN=N1	REAL000000003284	1	53	0.0	-15.67	423.65	4.25	-11.41
CCCC(NC(=O)C1=CN=CC(OCC(F)F)=C1)C1=NN=N[N-]1	REAL000000003285	0	38	-1.0	-51.75	333.77	2.37	-49.38
CCCC(NC(=O)C1=CN=CC(OCC(F)F)=C1)C1=N[N-]N=N1	REAL000000003285	1	38	-1.0	-51.75	333.71	2.37	-49.39
CCCC(NC(=O)C1=CN=CC(OCC(F)F)=C1)C1=NNN=N1	REAL000000003285	1	39	0.0	-13.41	329.95	2.05	-11.37
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=C(C)O1)C1=NN=N[N-]1	REAL000000003286	0	43	-1.0	-50.80	369.62	0.30	-50.50
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=C(C)O1)C1=N[N-]N=N1	REAL000000003286	1	43	-1.0	-50.80	369.56	0.29	-50.51
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=C(C)O1)C1=NNN=N1	REAL000000003286	1	44	0.0	-14.27	365.81	-0.03	-14.29
CCCC(NC(=O)C1=CC=C(C2=NNC(CC)=N2)C=C1)C1=NN=N[N-]1	REAL000000003287	0	44	-1.0	-50.03	372.83	5.00	-45.03
CCCC(NC(=O)C1=CC=C(C2=NNC(CC)=N2)C=C1)C1=N[N-]N=N1	REAL000000003287	1	44	-1.0	-50.02	372.77	4.99	-45.03
CCCC(NC(=O)C1=CC=C(C2=NNC(CC)=N2)C=C1)C1=NNN=N1	REAL000000003287	1	45	0.0	-15.08	376.21	5.01	-10.07
CCCC(NC(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000003288	0	34	-1.0	-43.73	323.84	4.93	-38.80
CCCC(NC(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000003288	1	34	-1.0	-43.72	323.78	4.93	-38.79
CCCC(NC(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000003288	1	35	0.0	-12.18	327.22	4.94	-7.23
CCCC(NC(=O)C#CC1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL000000003289	0	37	-1.0	-47.63	332.20	3.67	-43.96
CCCC(NC(=O)C#CC1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL000000003289	1	37	-1.0	-47.63	332.15	3.66	-43.97
CCCC(NC(=O)C#CC1=CC=C2OCOC2=C1)C1=NNN=N1	REAL000000003289	1	38	0.0	-12.47	335.58	3.68	-8.79
CCCC(NC(=O)C=CC1=CC=CC(CO)=C1)C1=NN=N[N-]1	REAL000000003290	0	40	-1.0	-49.20	341.70	2.16	-47.04
CCCC(NC(=O)C=CC1=CC=CC(CO)=C1)C1=N[N-]N=N1	REAL000000003290	1	40	-1.0	-49.20	341.64	2.15	-47.04
CCCC(NC(=O)C=CC1=CC=CC(CO)=C1)C1=NNN=N1	REAL000000003290	1	41	0.0	-10.31	337.84	1.84	-8.47
CCCC(NC(=O)C1=CN=CC(C2=CC=C(C)C=C2)=C1)C1=NN=N[N-]1	REAL000000003291	0	44	-1.0	-46.73	365.13	5.96	-40.77
CCCC(NC(=O)C1=CN=CC(C2=CC=C(C)C=C2)=C1)C1=N[N-]N=N1	REAL000000003291	1	44	-1.0	-46.73	365.07	5.96	-40.77
CCCC(NC(=O)C1=CN=CC(C2=CC=C(C)C=C2)=C1)C1=NNN=N1	REAL000000003291	1	45	0.0	-11.62	368.51	5.96	-5.65
CCCC(NC(=O)C1=CN=CC(C2=CC=C(OC)C=C2)=C1)C1=NN=N[N-]1	REAL000000003292	0	45	-1.0	-47.05	373.18	4.60	-42.46
CCCC(NC(=O)C1=CN=CC(C2=CC=C(OC)C=C2)=C1)C1=N[N-]N=N1	REAL000000003292	1	45	-1.0	-47.05	373.12	4.60	-42.45
CCCC(NC(=O)C1=CN=CC(C2=CC=C(OC)C=C2)=C1)C1=NNN=N1	REAL000000003292	1	46	0.0	-12.57	376.55	4.61	-7.97
CCCC(NC(=O)CC1=CC=CC(OCC(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000003293	0	42	-1.0	-47.74	369.91	5.01	-42.73
CCCC(NC(=O)CC1=CC=CC(OCC(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000003293	1	42	-1.0	-47.74	369.85	5.01	-42.74
CCCC(NC(=O)CC1=CC=CC(OCC(F)(F)F)=C1)C1=NNN=N1	REAL000000003293	1	43	0.0	-14.66	373.29	5.01	-9.65
CCCC(NC(=O)C1=CC=C(Br)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000003294	0	35	-1.0	-44.43	329.77	5.14	-39.29
CCCC(NC(=O)C1=CC=C(Br)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000003294	1	35	-1.0	-44.42	329.71	5.13	-39.30
CCCC(NC(=O)C1=CC=C(Br)C(C(F)(F)F)=C1)C1=NNN=N1	REAL000000003294	1	36	0.0	-8.64	325.95	4.82	-3.83
CCCC(NC(=O)C1=CN=CC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000003295	0	41	-1.0	-46.65	343.73	5.29	-41.36
CCCC(NC(=O)C1=CN=CC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000003295	1	41	-1.0	-46.66	343.67	5.29	-41.37
CCCC(NC(=O)C1=CN=CC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000003295	1	42	0.0	-11.62	347.11	5.30	-6.32
CCCC(NC(=O)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1)C1=NN=N[N-]1	REAL000000003296	0	41	-1.0	-45.64	360.45	5.80	-39.84
CCCC(NC(=O)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1)C1=N[N-]N=N1	REAL000000003296	1	41	-1.0	-45.64	360.39	5.80	-39.85
CCCC(NC(=O)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1)C1=NNN=N1	REAL000000003296	1	42	0.0	-11.47	363.83	5.82	-5.66
CCCC(NC(=O)C(CC)CC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL000000003297	0	44	-1.0	-47.97	368.73	6.55	-41.41
CCCC(NC(=O)C(CC)CC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL000000003297	1	44	-1.0	-47.96	368.67	6.54	-41.42
CCCC(NC(=O)C(CC)CC1=CC=CC=C1Br)C1=NNN=N1	REAL000000003297	1	45	0.0	-7.15	359.59	6.75	-0.40
CCCC(NC(=O)C1=CN=CC(C2=CC=C3OCCC3=C2)=C1)C1=NN=N[N-]1	REAL000000003298	0	46	-1.0	-48.10	379.66	5.14	-42.96
CCCC(NC(=O)C1=CN=CC(C2=CC=C3OCCC3=C2)=C1)C1=N[N-]N=N1	REAL000000003298	1	46	-1.0	-48.10	379.60	5.14	-42.96
CCCC(NC(=O)C1=CN=CC(C2=CC=C3OCCC3=C2)=C1)C1=NNN=N1	REAL000000003298	1	47	0.0	-13.44	383.04	5.15	-8.29
CCCC(NC(=O)C1=CC=NN1C(CC)CC)C1=NN=N[N-]1	REAL000000003299	0	44	-1.0	-44.15	354.78	4.47	-39.68
CCCC(NC(=O)C1=CC=NN1C(CC)CC)C1=N[N-]N=N1	REAL000000003299	1	44	-1.0	-44.14	354.72	4.46	-39.68
CCCC(NC(=O)C1=CC=NN1C(CC)CC)C1=NNN=N1	REAL000000003299	1	45	0.0	-10.58	358.30	4.48	-6.10
CCCC(NC(=O)CC1=CC(OC)=CC=C1Br)C1=NN=N[N-]1	REAL000000003300	0	39	-1.0	-47.82	346.15	4.11	-43.71
CCCC(NC(=O)CC1=CC(OC)=CC=C1Br)C1=N[N-]N=N1	REAL000000003300	1	39	-1.0	-47.82	346.10	4.11	-43.72
CCCC(NC(=O)CC1=CC(OC)=CC=C1Br)C1=NNN=N1	REAL000000003300	1	40	0.0	-11.65	349.53	4.11	-7.53
CCCOC1=CC=CC(CC(=O)NC(CCC)C2=NN=N[N-]2)=C1	REAL000000003301	0	45	-1.0	-47.15	371.84	5.37	-41.78
CCCOC1=CC=CC(CC(=O)NC(CCC)C2=N[N-]N=N2)=C1	REAL000000003301	1	45	-1.0	-47.14	371.78	5.36	-41.78
CCCOC1=CC=CC(CC(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000003301	1	46	0.0	-12.62	375.21	5.38	-7.24
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1)C1=NN=N[N-]1	REAL000000003302	0	42	-1.0	-46.12	380.13	4.64	-41.48
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1)C1=N[N-]N=N1	REAL000000003302	1	42	-1.0	-46.11	380.08	4.63	-41.48
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1)C1=NNN=N1	REAL000000003302	1	43	0.0	-10.14	383.50	4.65	-5.48
CCCC(NC(=O)C1=CC=C(N2CCCC3=CC=CC=C32)C=C1)C1=NN=N[N-]1	REAL000000003303	0	51	-1.0	-46.19	410.81	8.71	-37.48
CCCC(NC(=O)C1=CC=C(N2CCCC3=CC=CC=C32)C=C1)C1=N[N-]N=N1	REAL000000003303	1	51	-1.0	-46.19	410.75	8.70	-37.49
CCCC(NC(=O)C1=CC=C(N2CCCC3=CC=CC=C32)C=C1)C1=NNN=N1	REAL000000003303	1	52	0.0	-11.75	414.13	8.72	-3.03
CCCC(NC(=O)C1=CC=CC(OCC(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000003304	0	39	-1.0	-51.80	345.26	4.34	-47.45
CCCC(NC(=O)C1=CC=CC(OCC(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000003304	1	39	-1.0	-51.80	345.20	4.33	-47.47
CCCC(NC(=O)C1=CC=CC(OCC(F)(F)F)=C1)C1=NNN=N1	REAL000000003304	1	40	0.0	-15.72	348.64	4.35	-11.37
CCCC(NC(=O)CNS(=O)(=O)CCCOC)C1=NN=N[N-]1	REAL000000003305	0	43	-1.0	-57.07	372.10	-2.41	-59.48
CCCC(NC(=O)CNS(=O)(=O)CCCOC)C1=N[N-]N=N1	REAL000000003305	1	43	-1.0	-57.07	372.04	-2.41	-59.48
CCCC(NC(=O)CNS(=O)(=O)CCCOC)C1=NNN=N1	REAL000000003305	1	44	0.0	-22.29	375.47	-2.41	-24.70
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC=C1Br)C1=NN=N[N-]1	REAL000000003306	0	35	-1.0	-43.85	329.32	5.27	-38.58
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC=C1Br)C1=N[N-]N=N1	REAL000000003306	1	35	-1.0	-43.85	329.26	5.27	-38.58
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC=C1Br)C1=NNN=N1	REAL000000003306	1	36	0.0	-9.56	332.70	5.28	-4.29
CCCC(NC(=O)C1=NN(C(CC)CC)C=C1)C1=NN=N[N-]1	REAL000000003307	0	44	-1.0	-49.50	357.10	4.17	-45.34
CCCC(NC(=O)C1=NN(C(CC)CC)C=C1)C1=N[N-]N=N1	REAL000000003307	1	44	-1.0	-49.50	357.04	4.17	-45.33
CCCC(NC(=O)C1=NN(C(CC)CC)C=C1)C1=NNN=N1	REAL000000003307	1	45	0.0	-11.47	361.95	4.34	-7.13
CCCC(NC(=O)CCCC(=O)NC1=CC=CC=C1C#N)C1=NN=N[N-]1	REAL000000003308	0	46	-1.0	-55.82	393.89	4.62	-51.20
CCCC(NC(=O)CCCC(=O)NC1=CC=CC=C1C#N)C1=N[N-]N=N1	REAL000000003308	1	46	-1.0	-55.82	393.83	4.62	-51.20
CCCC(NC(=O)CCCC(=O)NC1=CC=CC=C1C#N)C1=NNN=N1	REAL000000003308	1	47	0.0	-19.54	397.22	4.63	-14.91
CCCC(NC(=O)C1=CC=C(SC2CCOC2=O)C=C1)C1=NN=N[N-]1	REAL000000003309	0	43	-1.0	-54.26	374.51	6.06	-48.19
CCCC(NC(=O)C1=CC=C(SC2CCOC2=O)C=C1)C1=N[N-]N=N1	REAL000000003309	1	43	-1.0	-54.25	374.46	6.07	-48.19
CCCC(NC(=O)C1=CC=C(SC2CCOC2=O)C=C1)C1=NNN=N1	REAL000000003309	1	44	0.0	-16.51	370.17	5.82	-10.69
CCCC(NC(=O)C1=CN=CC(C2=CC=CC(C)=C2)=C1)C1=NN=N[N-]1	REAL000000003310	0	44	-1.0	-46.50	365.14	5.96	-40.54
CCCC(NC(=O)C1=CN=CC(C2=CC=CC(C)=C2)=C1)C1=N[N-]N=N1	REAL000000003310	1	44	-1.0	-46.50	365.08	5.96	-40.54
CCCC(NC(=O)C1=CN=CC(C2=CC=CC(C)=C2)=C1)C1=NNN=N1	REAL000000003310	1	45	0.0	-11.53	368.51	5.97	-5.56
CCCC(NC(=O)C1=CC=C(C(=O)OC)C(F)=C1)C1=NN=N[N-]1	REAL000000003311	0	38	-1.0	-45.05	333.64	4.33	-40.72
CCCC(NC(=O)C1=CC=C(C(=O)OC)C(F)=C1)C1=N[N-]N=N1	REAL000000003311	1	38	-1.0	-45.05	333.58	4.33	-40.72
CCCC(NC(=O)C1=CC=C(C(=O)OC)C(F)=C1)C1=NNN=N1	REAL000000003311	1	39	0.0	-13.03	337.01	4.34	-8.69
CCCC(NC(=O)C1=CC=CC(C2(C)NC(=O)NC2=O)=C1)C1=NN=N[N-]1	REAL000000003312	0	44	-1.0	-47.88	368.80	0.42	-47.47
CCCC(NC(=O)C1=CC=CC(C2(C)NC(=O)NC2=O)=C1)C1=N[N-]N=N1	REAL000000003312	1	44	-1.0	-47.89	368.74	0.42	-47.47
CCCC(NC(=O)C1=CC=CC(C2(C)NC(=O)NC2=O)=C1)C1=NNN=N1	REAL000000003312	1	45	0.0	-14.95	372.17	0.43	-14.52
CCCC(NC(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C1=NN=N[N-]1	REAL000000003313	0	43	-1.0	-47.17	357.61	3.16	-44.01
CCCC(NC(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C1=N[N-]N=N1	REAL000000003313	1	43	-1.0	-47.17	357.56	3.16	-44.01
CCCC(NC(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C1=NNN=N1	REAL000000003313	1	44	0.0	-14.02	360.99	3.17	-10.85
CCCC(NC(=O)CN1C(=O)NC2(CCCC(C)(C)C2)C1=O)C1=NN=N[N-]1	REAL000000003314	0	53	-1.0	-54.14	408.86	3.86	-50.27
CCCC(NC(=O)CN1C(=O)NC2(CCCC(C)(C)C2)C1=O)C1=N[N-]N=N1	REAL000000003314	1	53	-1.0	-54.15	408.80	3.85	-50.30
CCCC(NC(=O)CN1C(=O)NC2(CCCC(C)(C)C2)C1=O)C1=NNN=N1	REAL000000003314	1	54	0.0	-12.62	405.05	3.54	-9.08
CCCC(NC(=O)C1=CC=NC(OC(C)C)=C1)C1=NN=N[N-]1	REAL000000003315	0	41	-1.0	-47.26	343.73	2.22	-45.04
CCCC(NC(=O)C1=CC=NC(OC(C)C)=C1)C1=N[N-]N=N1	REAL000000003315	1	41	-1.0	-47.25	343.67	2.22	-45.03
CCCC(NC(=O)C1=CC=NC(OC(C)C)=C1)C1=NNN=N1	REAL000000003315	1	42	0.0	-9.60	339.90	1.91	-7.69
CCCC(NC(=O)CSC1=NC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL000000003316	0	39	-1.0	-47.00	346.95	3.75	-43.25
CCCC(NC(=O)CSC1=NC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL000000003316	1	39	-1.0	-46.99	346.89	3.74	-43.25
CCCC(NC(=O)CSC1=NC2=CC=CC=C2N1)C1=NNN=N1	REAL000000003316	1	40	0.0	-13.02	350.33	3.76	-9.26
CCCC(NC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000003317	0	34	-2.0	-85.25	309.99	2.22	-83.02
CCCC(NC(=O)C1=NC=C(C#N)C=C1Cl)C1=NN=N[N-]1	REAL000000003318	0	32	-1.0	-44.14	304.95	2.83	-41.31
CCCC(NC(=O)C1=NC=C(C#N)C=C1Cl)C1=N[N-]N=N1	REAL000000003318	1	32	-1.0	-44.14	304.89	2.83	-41.31
CCCC(NC(=O)C1=NC=C(C#N)C=C1Cl)C1=NNN=N1	REAL000000003318	1	33	0.0	-10.71	308.33	2.84	-7.88
CCCC(NC(=O)COC1=C2N=CC=CC2=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL000000003319	0	43	-1.0	-55.00	373.87	5.20	-49.79
CCCC(NC(=O)COC1=C2N=CC=CC2=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL000000003319	1	43	-1.0	-54.99	373.81	5.21	-49.79
CCCC(NC(=O)COC1=C2N=CC=CC2=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000003319	1	44	0.0	-21.87	377.24	5.22	-16.65
CCCC(NC(=O)CCC(=O)NC1=NN=C(CC(C)C)S1)C1=NN=N[N-]1	REAL000000003320	0	49	-1.0	-51.48	418.58	3.66	-47.82
CCCC(NC(=O)CCC(=O)NC1=NN=C(CC(C)C)S1)C1=N[N-]N=N1	REAL000000003320	1	49	-1.0	-51.48	418.52	3.66	-47.81
CCCC(NC(=O)CCC(=O)NC1=NN=C(CC(C)C)S1)C1=NNN=N1	REAL000000003320	1	50	0.0	-18.35	421.96	3.67	-14.68
CCCC(NC(=O)C1=CC=CC(C(=O)NC)=N1)C1=NN=N[N-]1	REAL000000003321	0	38	-1.0	-45.63	330.45	0.25	-45.38
CCCC(NC(=O)C1=CC=CC(C(=O)NC)=N1)C1=N[N-]N=N1	REAL000000003321	1	38	-1.0	-45.63	330.39	0.24	-45.39
CCCC(NC(=O)C1=CC=CC(C(=O)NC)=N1)C1=NNN=N1	REAL000000003321	1	39	0.0	-10.01	326.65	-0.08	-10.09
CCCC(NC(=O)CC1=CC=C(C)C=C1Cl)C1=NN=N[N-]1	REAL000000003322	0	38	-1.0	-48.53	334.62	5.42	-43.11
CCCC(NC(=O)CC1=CC=C(C)C=C1Cl)C1=N[N-]N=N1	REAL000000003322	1	38	-1.0	-48.52	334.56	5.42	-43.11
CCCC(NC(=O)CC1=CC=C(C)C=C1Cl)C1=NNN=N1	REAL000000003322	1	39	0.0	-11.85	338.00	5.43	-6.42
CCCC(NC(=O)C1=CC(I)=CC=C1F)C1=NN=N[N-]1	REAL000000003323	0	32	-1.0	-46.87	306.68	4.82	-42.05
CCCC(NC(=O)C1=CC(I)=CC=C1F)C1=N[N-]N=N1	REAL000000003323	1	32	-1.0	-46.87	306.62	4.81	-42.06
CCCC(NC(=O)C1=CC(I)=CC=C1F)C1=NNN=N1	REAL000000003323	1	33	0.0	-8.14	302.88	4.50	-3.65
CCCC(NC(=O)C1=CC=NC(Br)=C1)C1=NN=N[N-]1	REAL000000003324	0	31	-1.0	-44.80	291.01	2.38	-42.43
CCCC(NC(=O)C1=CC=NC(Br)=C1)C1=N[N-]N=N1	REAL000000003324	1	31	-1.0	-44.80	290.95	2.38	-42.42
CCCC(NC(=O)C1=CC=NC(Br)=C1)C1=NNN=N1	REAL000000003324	1	32	0.0	-12.64	294.38	2.39	-10.25
CCCC(NC(=O)C1=CN(CC2=CC=CC(F)=C2)N=N1)C1=NN=N[N-]1	REAL000000003325	0	41	-1.0	-47.71	363.30	3.88	-43.84
CCCC(NC(=O)C1=CN(CC2=CC=CC(F)=C2)N=N1)C1=N[N-]N=N1	REAL000000003325	1	41	-1.0	-47.71	363.24	3.87	-43.85
CCCC(NC(=O)C1=CN(CC2=CC=CC(F)=C2)N=N1)C1=NNN=N1	REAL000000003325	1	42	0.0	-12.49	359.51	3.55	-8.93
CCCC(NC(=O)C1=CC=C(SC2=CC=C([N+](=O)[O-])C=C2)C=C1)C1=NN=N[N-]1	REAL000000003326	0	45	-1.0	-48.14	402.99	8.40	-39.73
CCCC(NC(=O)C1=CC=C(SC2=CC=C([N+](=O)[O-])C=C2)C=C1)C1=N[N-]N=N1	REAL000000003326	1	45	-1.0	-48.13	402.93	8.40	-39.73
CCCC(NC(=O)C1=CC=C(SC2=CC=C([N+](=O)[O-])C=C2)C=C1)C1=NNN=N1	REAL000000003326	1	46	0.0	-10.75	399.16	8.09	-2.66
CCCC(NC(=O)C1=CC(NC(C)=O)=CC=C1Cl)C1=NN=N[N-]1	REAL000000003327	0	39	-1.0	-51.05	342.96	3.08	-47.97
CCCC(NC(=O)C1=CC(NC(C)=O)=CC=C1Cl)C1=N[N-]N=N1	REAL000000003327	1	39	-1.0	-51.05	342.90	3.08	-47.97
CCCC(NC(=O)C1=CC(NC(C)=O)=CC=C1Cl)C1=NNN=N1	REAL000000003327	1	40	0.0	-16.52	346.32	3.09	-13.43
CCCC(NC(=O)C1=CC=C(NC(C)=O)C=C1Cl)C1=NN=N[N-]1	REAL000000003328	0	39	-1.0	-55.43	343.13	3.07	-52.36
CCCC(NC(=O)C1=CC=C(NC(C)=O)C=C1Cl)C1=N[N-]N=N1	REAL000000003328	1	39	-1.0	-55.43	343.07	3.07	-52.36
CCCC(NC(=O)C1=CC=C(NC(C)=O)C=C1Cl)C1=NNN=N1	REAL000000003328	1	40	0.0	-20.45	346.49	3.08	-17.37
CCCC(NC(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C1=NN=N[N-]1	REAL000000003329	0	40	-1.0	-51.99	338.64	2.91	-49.08
CCCC(NC(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C1=N[N-]N=N1	REAL000000003329	1	40	-1.0	-51.99	338.58	2.92	-49.08
CCCC(NC(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C1=NNN=N1	REAL000000003329	1	41	0.0	-18.37	341.99	2.93	-15.44
CCCC(NC(=O)CCC1=NC(C2CCCC2)=NO1)C1=NN=N[N-]1	REAL000000003330	0	46	-1.0	-44.48	377.29	3.02	-41.46
CCCC(NC(=O)CCC1=NC(C2CCCC2)=NO1)C1=N[N-]N=N1	REAL000000003330	1	46	-1.0	-44.47	377.24	3.02	-41.45
CCCC(NC(=O)CCC1=NC(C2CCCC2)=NO1)C1=NNN=N1	REAL000000003330	1	47	0.0	-11.83	380.69	3.03	-8.81
CCCC(NC(=O)CSC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL000000003331	0	37	-1.0	-47.18	328.51	1.93	-45.25
CCCC(NC(=O)CSC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL000000003331	1	37	-1.0	-47.18	328.45	1.93	-45.25
CCCC(NC(=O)CSC1=CC=C(O)C=C1)C1=NNN=N1	REAL000000003331	1	38	0.0	-13.85	331.89	1.94	-11.91
CCCC(NC(=O)CC1=CC=C(F)C=C1Cl)C1=NN=N[N-]1	REAL000000003332	0	35	-1.0	-43.27	319.62	4.81	-38.46
CCCC(NC(=O)CC1=CC=C(F)C=C1Cl)C1=N[N-]N=N1	REAL000000003332	1	35	-1.0	-43.27	319.56	4.81	-38.45
CCCC(NC(=O)CC1=CC=C(F)C=C1Cl)C1=NNN=N1	REAL000000003332	1	36	0.0	-10.99	323.00	4.82	-6.17
CCCC(NC(=O)CNS(=O)(=O)CCOCC)C1=NN=N[N-]1	REAL000000003333	0	43	-1.0	-53.57	372.45	-2.22	-55.80
CCCC(NC(=O)CNS(=O)(=O)CCOCC)C1=N[N-]N=N1	REAL000000003333	1	43	-1.0	-53.56	372.39	-2.23	-55.79
CCCC(NC(=O)CNS(=O)(=O)CCOCC)C1=NNN=N1	REAL000000003333	1	44	0.0	-19.13	375.83	-2.21	-21.35
CCCC(NC(=O)CC1=CC(F)=C(F)C=C1F)C1=NN=N[N-]1	REAL000000003334	0	35	-1.0	-47.26	317.10	4.50	-42.76
CCCC(NC(=O)CC1=CC(F)=C(F)C=C1F)C1=N[N-]N=N1	REAL000000003334	1	35	-1.0	-47.26	317.05	4.49	-42.77
CCCC(NC(=O)CC1=CC(F)=C(F)C=C1F)C1=NNN=N1	REAL000000003334	1	36	0.0	-12.10	320.51	4.50	-7.59
CCCC(NC(=O)C1=NOC(C2=CC=C(F)C=C2)=C1)C1=NN=N[N-]1	REAL000000003335	0	38	-1.0	-43.69	339.39	4.72	-38.97
CCCC(NC(=O)C1=NOC(C2=CC=C(F)C=C2)=C1)C1=N[N-]N=N1	REAL000000003335	1	38	-1.0	-43.69	339.33	4.73	-38.96
CCCC(NC(=O)C1=NOC(C2=CC=C(F)C=C2)=C1)C1=NNN=N1	REAL000000003335	1	39	0.0	-9.68	342.77	4.74	-4.94
CCCC(NC(=O)COC1=CC=C(OC)C(C)=C1)C1=NN=N[N-]1	REAL000000003336	0	43	-1.0	-49.77	357.46	4.27	-45.50
CCCC(NC(=O)COC1=CC=C(OC)C(C)=C1)C1=N[N-]N=N1	REAL000000003336	1	43	-1.0	-49.77	357.40	4.26	-45.51
CCCC(NC(=O)COC1=CC=C(OC)C(C)=C1)C1=NNN=N1	REAL000000003336	1	44	0.0	-15.32	360.83	4.28	-11.04
CCCC(NC(=O)C(CC)OC1CCCCC1)C1=NN=N[N-]1	REAL000000003337	0	48	-1.0	-47.84	375.10	5.90	-41.94
CCCC(NC(=O)C(CC)OC1CCCCC1)C1=N[N-]N=N1	REAL000000003337	1	48	-1.0	-47.84	375.05	5.89	-41.95
CCCC(NC(=O)C(CC)OC1CCCCC1)C1=NNN=N1	REAL000000003337	1	49	0.0	-11.22	378.48	5.91	-5.31
CCCC(NC(=O)C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1)C1=NN=N[N-]1	REAL000000003338	0	42	-1.0	-59.00	374.10	5.83	-53.17
CCCC(NC(=O)C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1)C1=N[N-]N=N1	REAL000000003338	1	42	-1.0	-58.99	374.05	5.82	-53.17
CCCC(NC(=O)C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1)C1=NNN=N1	REAL000000003338	1	43	0.0	-21.29	377.48	5.84	-15.45
CCCC(NC(=O)CCCC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL000000003339	0	41	-1.0	-46.49	363.17	6.52	-39.97
CCCC(NC(=O)CCCC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL000000003339	1	41	-1.0	-46.49	363.11	6.52	-39.97
CCCC(NC(=O)CCCC1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000003339	1	42	0.0	-12.17	366.55	6.53	-5.64
CCCC(NC(=O)C(=O)NC1=CC=C(S(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL000000003340	0	41	-1.0	-47.25	365.74	-3.12	-50.37
CCCC(NC(=O)C(=O)NC1=CC=C(S(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL000000003340	1	41	-1.0	-47.24	365.68	-3.13	-50.38
CCCC(NC(=O)C(=O)NC1=CC=C(S(N)(=O)=O)C=C1)C1=NNN=N1	REAL000000003340	1	42	0.0	-16.12	369.07	-3.12	-19.24
CCCC(NC(=O)CN(C(=O)OC(C)(C)C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000003341	0	52	-1.0	-51.11	424.20	6.75	-44.36
CCCC(NC(=O)CN(C(=O)OC(C)(C)C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000003341	1	52	-1.0	-51.11	424.14	6.75	-44.36
CCCC(NC(=O)CN(C(=O)OC(C)(C)C)C1=CC=CC=C1)C1=NNN=N1	REAL000000003341	1	53	0.0	-12.63	420.39	6.44	-6.20
CCCC(NC(=O)COC1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000003342	0	56	-1.0	-52.02	438.51	5.03	-46.99
CCCC(NC(=O)COC1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000003342	1	56	-1.0	-52.00	438.45	5.02	-46.99
CCCC(NC(=O)COC1CCCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000003342	1	57	0.0	-12.18	434.70	4.61	-7.57
CCCC(NC(=O)CSC1=C2C=CC=CC2=CC=N1)C1=NN=N[N-]1	REAL000000003343	0	41	-1.0	-48.50	358.89	5.41	-43.10
CCCC(NC(=O)CSC1=C2C=CC=CC2=CC=N1)C1=N[N-]N=N1	REAL000000003343	1	41	-1.0	-48.51	358.84	5.41	-43.10
CCCC(NC(=O)CSC1=C2C=CC=CC2=CC=N1)C1=NNN=N1	REAL000000003343	1	42	0.0	-10.20	355.04	5.09	-5.11
CCCC(NC(=O)CSC1=NNC(C2=CC=C(C)C=C2)=N1)C1=NN=N[N-]1	REAL000000003344	0	45	-1.0	-49.87	396.96	5.49	-44.38
CCCC(NC(=O)CSC1=NNC(C2=CC=C(C)C=C2)=N1)C1=N[N-]N=N1	REAL000000003344	1	45	-1.0	-49.87	396.90	5.50	-44.37
CCCC(NC(=O)CCC(=O)NC1=NN=C(C(C)C)S1)C1=NN=N[N-]1	REAL000000003345	0	46	-1.0	-51.67	399.66	2.89	-48.77
CCCC(NC(=O)CCC(=O)NC1=NN=C(C(C)C)S1)C1=N[N-]N=N1	REAL000000003345	1	46	-1.0	-51.66	399.60	2.88	-48.77
CCCC(NC(=O)CCC(=O)NC1=NN=C(C(C)C)S1)C1=NNN=N1	REAL000000003345	1	47	0.0	-18.47	403.03	2.90	-15.57
CCCC(NC(=O)C=CC1=NN=C(C(C)C)O1)C1=NN=N[N-]1	REAL000000003346	0	40	-1.0	-45.41	346.33	-0.69	-46.10
CCCC(NC(=O)C=CC1=NN=C(C(C)C)O1)C1=N[N-]N=N1	REAL000000003346	1	40	-1.0	-45.41	346.27	-0.70	-46.11
CCCC(NC(=O)C=CC1=NN=C(C(C)C)O1)C1=NNN=N1	REAL000000003346	1	41	0.0	-12.06	349.71	-0.68	-12.74
CCCC(NC(=O)CCC1=CC=CC(OC(C)(C)C)=N1)C1=NN=N[N-]1	REAL000000003347	0	50	-1.0	-46.11	398.45	5.30	-40.81
CCCC(NC(=O)CCC1=CC=CC(OC(C)(C)C)=N1)C1=N[N-]N=N1	REAL000000003347	1	50	-1.0	-46.10	398.39	5.29	-40.81
CCCC(NC(=O)CCC1=CC=CC(OC(C)(C)C)=N1)C1=NNN=N1	REAL000000003347	1	51	0.0	-10.66	401.82	5.32	-5.34
CCCC(NC(=O)C1=C(Br)SC(C)=C1)C1=NN=N[N-]1	REAL000000003348	0	32	-1.0	-46.15	305.18	4.08	-42.07
CCCC(NC(=O)C1=C(Br)SC(C)=C1)C1=N[N-]N=N1	REAL000000003348	1	32	-1.0	-46.15	305.12	4.08	-42.07
CCCC(NC(=O)C1=C(Br)SC(C)=C1)C1=NNN=N1	REAL000000003348	1	33	0.0	-7.65	301.36	3.77	-3.89
CCCC(NC(=O)C1=CC(SC)=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL000000003349	0	36	-1.0	-43.60	342.01	5.64	-37.96
CCCC(NC(=O)C1=CC(SC)=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL000000003349	1	36	-1.0	-43.59	341.95	5.64	-37.96
CCCC(NC(=O)C1=CC(SC)=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000003349	1	37	0.0	-7.43	338.21	5.32	-2.11
CCCC(NC(=O)C1=CC=C2SC=CC2=C1)C1=NN=N[N-]1	REAL000000003350	0	35	-1.0	-46.34	311.21	5.00	-41.34
CCCC(NC(=O)C1=CC=C2SC=CC2=C1)C1=N[N-]N=N1	REAL000000003350	1	35	-1.0	-46.33	311.15	5.00	-41.33
CCCC(NC(=O)C1=CC=C2SC=CC2=C1)C1=NNN=N1	REAL000000003350	1	36	0.0	-7.98	307.39	4.69	-3.30
CCCC(NC(=O)C(C)OC1CCCCCC1)C1=NN=N[N-]1	REAL000000003351	0	48	-1.0	-48.75	366.15	5.51	-43.23
CCCC(NC(=O)C(C)OC1CCCCCC1)C1=N[N-]N=N1	REAL000000003351	1	48	-1.0	-48.75	366.09	5.51	-43.24
CCCC(NC(=O)C(C)OC1CCCCCC1)C1=NNN=N1	REAL000000003351	1	49	0.0	-12.14	370.71	5.57	-6.57
CCCC(NC(=O)C1=CC(NC(C)=O)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000003352	0	42	-1.0	-50.44	369.14	3.56	-46.88
CCCC(NC(=O)C1=CC(NC(C)=O)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000003352	1	42	-1.0	-50.44	369.08	3.55	-46.89
CCCC(NC(=O)C1=CC(NC(C)=O)=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000003352	1	43	0.0	-12.32	365.34	3.24	-9.09
CCCC(NC(=O)C1=CC=CC(I)=C1C)C1=NN=N[N-]1	REAL000000003353	0	35	-1.0	-44.62	314.10	5.29	-39.33
CCCC(NC(=O)C1=CC=CC(I)=C1C)C1=N[N-]N=N1	REAL000000003353	1	35	-1.0	-44.61	314.05	5.28	-39.33
CCCC(NC(=O)C1=CC=CC(I)=C1C)C1=NNN=N1	REAL000000003353	1	36	0.0	-10.43	317.49	5.30	-5.12
CCCC(NC(=O)CCC1=NN=C(C2CCCC2)O1)C1=NN=N[N-]1	REAL000000003354	0	46	-1.0	-45.54	377.86	0.72	-44.82
CCCC(NC(=O)CCC1=NN=C(C2CCCC2)O1)C1=N[N-]N=N1	REAL000000003354	1	46	-1.0	-45.54	377.80	0.72	-44.81
CCCC(NC(=O)CCC1=NN=C(C2CCCC2)O1)C1=NNN=N1	REAL000000003354	1	47	0.0	-13.69	381.23	0.73	-12.96
CCCC(NC(=O)CCCOC1=CC=C(C)C=C1Cl)C1=NN=N[N-]1	REAL000000003355	0	45	-1.0	-50.74	387.78	5.96	-44.78
CCCC(NC(=O)CCCOC1=CC=C(C)C=C1Cl)C1=N[N-]N=N1	REAL000000003355	1	45	-1.0	-50.74	387.73	5.96	-44.78
CCCC(NC(=O)CCCOC1=CC=C(C)C=C1Cl)C1=NNN=N1	REAL000000003355	1	46	0.0	-15.38	391.16	5.97	-9.41
CCCC(NC(=O)CCCC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL000000003356	0	41	-1.0	-46.74	358.07	6.35	-40.39
CCCC(NC(=O)CCCC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL000000003356	1	41	-1.0	-46.74	358.01	6.35	-40.39
CCCC(NC(=O)CCCC1=CC=CC=C1Br)C1=NNN=N1	REAL000000003356	1	42	0.0	-9.23	354.26	6.04	-3.20
CCCC(NC(=O)CC(C)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000003357	0	51	-1.0	-47.01	401.75	2.61	-44.41
CCCC(NC(=O)CC(C)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000003357	1	51	-1.0	-47.01	401.70	2.60	-44.41
CCCC(NC(=O)CC(C)CNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003357	1	52	0.0	-10.15	397.95	2.28	-7.87
CCCC(NC(=O)CC(C)C1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000003358	0	61	-1.0	-51.01	456.30	6.40	-44.61
CCCC(NC(=O)CC(C)C1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000003358	1	61	-1.0	-51.00	456.24	6.40	-44.60
CCCC(NC(=O)CC(C)C1CCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000003358	1	62	0.0	-14.64	459.69	6.40	-8.24
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CC=CC(C#N)=C1)C1=NN=N[N-]1	REAL000000003359	0	44	-1.0	-55.68	390.18	0.99	-54.69
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CC=CC(C#N)=C1)C1=N[N-]N=N1	REAL000000003359	1	44	-1.0	-55.67	390.13	1.00	-54.68
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CC=CC(C#N)=C1)C1=NNN=N1	REAL000000003359	1	45	0.0	-21.00	393.58	1.01	-20.00
CCCC(NC(=O)C1=CC=C(OC2=CC=C(C#N)C=C2C)C=C1)C1=NN=N[N-]1	REAL000000003360	0	47	-1.0	-47.89	403.28	7.55	-40.35
CCCC(NC(=O)C1=CC=C(OC2=CC=C(C#N)C=C2C)C=C1)C1=N[N-]N=N1	REAL000000003360	1	47	-1.0	-47.89	403.23	7.55	-40.34
CCCC(NC(=O)C1=CC=C(OC2=CC=C(C#N)C=C2C)C=C1)C1=NNN=N1	REAL000000003360	1	48	0.0	-10.50	399.46	7.24	-3.27
CCCC(NC(=O)CC1=C(OC)C=CC=C1OC)C1=NN=N[N-]1	REAL000000003361	0	43	-1.0	-50.59	355.29	3.09	-47.50
CCCC(NC(=O)CC1=C(OC)C=CC=C1OC)C1=N[N-]N=N1	REAL000000003361	1	43	-1.0	-50.58	355.24	3.08	-47.50
CCCC(NC(=O)CC1=C(OC)C=CC=C1OC)C1=NNN=N1	REAL000000003361	1	44	0.0	-13.47	358.67	3.10	-10.37
CCCC(NC(=O)CC1=NN(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000003362	0	42	-1.0	-59.85	357.02	5.49	-54.35
CCCC(NC(=O)CC1=NN(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000003362	1	42	-1.0	-59.85	356.97	5.48	-54.36
CCCC(NC(=O)CC1=NN(C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000003362	1	43	0.0	-18.20	360.40	5.50	-12.70
CCCC(NC(=O)C1=CC=C(Cl)C=C1Br)C1=NN=N[N-]1	REAL000000003363	0	32	-1.0	-44.22	307.34	4.79	-39.44
CCCC(NC(=O)C1=CC=C(Cl)C=C1Br)C1=N[N-]N=N1	REAL000000003363	1	32	-1.0	-44.22	307.28	4.79	-39.43
CCCC(NC(=O)C1=CC=C(Cl)C=C1Br)C1=NNN=N1	REAL000000003363	1	33	0.0	-10.56	310.71	4.79	-5.76
CCCC(NC(=O)CC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000003364	0	47	-1.0	-46.72	375.18	6.65	-40.07
CCCC(NC(=O)CC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000003364	1	47	-1.0	-46.72	375.12	6.65	-40.07
CCCC(NC(=O)CC1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000003364	1	48	0.0	-11.27	378.55	6.66	-4.61
CCCC(NC(=O)C1=CN=CC(OC(C)C)=C1)C1=NN=N[N-]1	REAL000000003365	0	41	-1.0	-44.19	338.86	2.73	-41.46
CCCC(NC(=O)C1=CN=CC(OC(C)C)=C1)C1=N[N-]N=N1	REAL000000003365	1	41	-1.0	-44.18	338.81	2.74	-41.45
CCCC(NC(=O)C1=CN=CC(OC(C)C)=C1)C1=NNN=N1	REAL000000003365	1	42	0.0	-10.31	342.24	2.75	-7.56
CCCC(NC(=O)COC1=C(C)N(C)N=C1C)C1=NN=N[N-]1	REAL000000003366	0	42	-1.0	-51.74	356.73	3.20	-48.54
CCCC(NC(=O)COC1=C(C)N(C)N=C1C)C1=N[N-]N=N1	REAL000000003366	1	42	-1.0	-51.75	356.67	3.19	-48.55
CCCC(NC(=O)COC1=C(C)N(C)N=C1C)C1=NNN=N1	REAL000000003366	1	43	0.0	-16.47	360.10	3.21	-13.25
CCCC(NC(=O)C1=CN2C(=NN=C2C(F)F)C=C1)C1=NN=N[N-]1	REAL000000003367	0	37	-1.0	-46.43	327.30	4.83	-41.59
CCCC(NC(=O)C1=CN2C(=NN=C2C(F)F)C=C1)C1=N[N-]N=N1	REAL000000003367	1	37	-1.0	-46.41	327.24	4.82	-41.59
CCCC(NC(=O)C1=CN2C(=NN=C2C(F)F)C=C1)C1=NNN=N1	REAL000000003367	1	38	0.0	-14.27	323.48	4.51	-9.76
CCCC(NC(=O)CN1CCN(S(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL000000003368	0	45	-1.0	-47.17	364.59	-2.15	-49.32
CCCC(NC(=O)CN1CCN(S(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL000000003368	1	45	-1.0	-47.16	364.54	-2.15	-49.31
CCCC(NC(=O)CN1CCN(S(C)(=O)=O)CC1)C1=NNN=N1	REAL000000003368	1	46	0.0	-13.12	360.80	-2.47	-15.59
CCCC(NC(=O)C1=CN(C2=CC=CN=C2)N=C1)C1=NN=N[N-]1	REAL000000003369	0	38	-1.0	-48.06	330.32	3.00	-45.06
CCCC(NC(=O)C1=CN(C2=CC=CN=C2)N=C1)C1=N[N-]N=N1	REAL000000003369	1	38	-1.0	-48.05	330.27	3.00	-45.05
CCCC(NC(=O)C1=CN(C2=CC=CN=C2)N=C1)C1=NNN=N1	REAL000000003369	1	39	0.0	-13.73	333.70	3.00	-10.73
CCCC(NC(=O)CC1=CC2=C(C=CC3=CC=CC=C23)O1)C1=NN=N[N-]1	REAL000000003370	0	44	-1.0	-54.39	373.48	7.12	-47.27
CCCC(NC(=O)CC1=CC2=C(C=CC3=CC=CC=C23)O1)C1=N[N-]N=N1	REAL000000003370	1	44	-1.0	-54.40	373.43	7.12	-47.28
CCCC(NC(=O)CC1=CC2=C(C=CC3=CC=CC=C23)O1)C1=NNN=N1	REAL000000003370	1	45	0.0	-17.37	376.86	7.13	-10.25
CCCC(NC(=O)C1=CC=CC(C(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000003371	0	47	-1.0	-52.87	384.01	6.34	-46.52
CCCC(NC(=O)C1=CC=CC(C(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000003371	1	47	-1.0	-52.86	383.95	6.33	-46.53
CCCC(NC(=O)C1=CC=CC(C(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000003371	1	48	0.0	-16.64	387.38	6.35	-10.29
CCCC(NC(=O)CCCCCOC1CCCC(C)C1)C1=NN=N[N-]1	REAL000000003372	0	57	-1.0	-47.14	439.65	7.17	-39.98
CCCC(NC(=O)CCCCCOC1CCCC(C)C1)C1=N[N-]N=N1	REAL000000003372	1	57	-1.0	-47.14	439.59	7.16	-39.99
CCCC(NC(=O)CCCCCOC1CCCC(C)C1)C1=NNN=N1	REAL000000003372	1	58	0.0	-11.57	443.03	7.18	-4.40
CCCC(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000003373	0	49	-1.0	-45.20	402.32	-1.05	-46.25
CCCC(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000003373	1	49	-1.0	-45.19	402.26	-1.05	-46.25
CCCC(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003373	1	50	0.0	-13.27	405.69	-1.04	-14.31
CCCC(NC(=O)C1=C(C)N(C2CCOCC2)N=C1)C1=NN=N[N-]1	REAL000000003374	0	46	-1.0	-47.50	369.91	2.94	-44.56
CCCC(NC(=O)C1=C(C)N(C2CCOCC2)N=C1)C1=N[N-]N=N1	REAL000000003374	1	46	-1.0	-47.50	369.85	2.94	-44.56
CCCC(NC(=O)C1=C(C)N(C2CCOCC2)N=C1)C1=NNN=N1	REAL000000003374	1	47	0.0	-12.57	373.28	2.95	-9.62
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C=C1C)C1=NN=N[N-]1	REAL000000003375	0	42	-1.0	-53.00	366.54	6.20	-46.80
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C=C1C)C1=N[N-]N=N1	REAL000000003375	1	42	-1.0	-53.00	366.48	6.19	-46.82
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C=C1C)C1=NNN=N1	REAL000000003375	1	43	0.0	-13.79	369.91	6.21	-7.58
CCCC(NC(=O)C(O)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000003376	0	42	-1.0	-45.73	351.66	3.82	-41.91
CCCC(NC(=O)C(O)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000003376	1	42	-1.0	-45.73	351.60	3.81	-41.92
CCCC(NC(=O)C(O)CCC1=CC=CC=C1)C1=NNN=N1	REAL000000003376	1	43	0.0	-11.71	355.04	3.83	-7.88
CCCC(NC(=O)[C@H](O)C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL000000003377	0	36	-1.0	-43.06	313.90	2.98	-40.08
CCCC(NC(=O)[C@H](O)C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL000000003377	1	36	-1.0	-43.06	313.84	2.97	-40.10
CCCC(NC(=O)[C@H](O)C1=CC=CC=C1Cl)C1=NNN=N1	REAL000000003377	1	37	0.0	-9.53	317.28	2.99	-6.54
CCCC(NC(=O)C(O)C1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL000000003378	0	40	-1.0	-45.49	336.07	1.69	-43.80
CCCC(NC(=O)C(O)C1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL000000003378	1	40	-1.0	-45.48	336.01	1.69	-43.80
CCCC(NC(=O)C(O)C1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000003378	1	41	0.0	-11.42	339.45	1.70	-9.72
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=NN=N[N-]1	REAL000000003379	0	34	-1.0	-41.39	314.96	4.70	-36.69
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=N[N-]N=N1	REAL000000003379	1	34	-1.0	-41.38	314.90	4.69	-36.69
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=NNN=N1	REAL000000003379	1	35	0.0	-9.20	311.14	4.38	-4.82
CCCC(NC(=O)CC1=CC=CC(C(=O)OC)=C1)C1=NN=N[N-]1	REAL000000003380	0	41	-1.0	-48.21	353.79	4.97	-43.23
CCCC(NC(=O)CC1=CC=CC(C(=O)OC)=C1)C1=N[N-]N=N1	REAL000000003380	1	41	-1.0	-48.20	353.74	4.96	-43.24
CCCC(NC(=O)CC1=CC=CC(C(=O)OC)=C1)C1=NNN=N1	REAL000000003380	1	42	0.0	-16.63	357.17	4.98	-11.65
CCCC(NC(=O)C1=CC=NC(OC2CCC2)=C1)C1=NN=N[N-]1	REAL000000003381	0	42	-1.0	-47.26	349.84	2.88	-44.38
CCCC(NC(=O)C1=CC=NC(OC2CCC2)=C1)C1=N[N-]N=N1	REAL000000003381	1	42	-1.0	-47.26	349.78	2.87	-44.39
CCCC(NC(=O)C1=CC=NC(OC2CCC2)=C1)C1=NNN=N1	REAL000000003381	1	43	0.0	-13.23	353.22	2.89	-10.34
CCCC(NC(=O)C1=C(C)N(CC(C)C)N=C1)C1=NN=N[N-]1	REAL000000003382	0	44	-1.0	-46.49	356.55	4.30	-42.19
CCCC(NC(=O)C1=C(C)N(CC(C)C)N=C1)C1=N[N-]N=N1	REAL000000003382	1	44	-1.0	-46.49	356.49	4.29	-42.20
CCCC(NC(=O)C1=C(C)N(CC(C)C)N=C1)C1=NNN=N1	REAL000000003382	1	45	0.0	-11.48	354.29	3.85	-7.63
CCCC(NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000003383	0	58	-1.0	-48.99	443.85	6.00	-42.99
CCCC(NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000003383	1	58	-1.0	-48.98	443.79	6.00	-42.98
CCCC(NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000003383	1	59	0.0	-16.17	447.24	6.01	-10.17
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1C1CCCCC1)C1=NN=N[N-]1	REAL000000003384	0	54	-1.0	-52.27	429.71	8.12	-44.15
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1C1CCCCC1)C1=N[N-]N=N1	REAL000000003384	1	54	-1.0	-52.26	429.65	8.11	-44.15
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1C1CCCCC1)C1=NNN=N1	REAL000000003384	1	55	0.0	-18.52	433.10	8.13	-10.39
CCCC(NC(=O)C1=CC=C(F)C(SC)=C1)C1=NN=N[N-]1	REAL000000003385	0	36	-1.0	-44.49	320.28	4.72	-39.77
CCCC(NC(=O)C1=CC=C(F)C(SC)=C1)C1=N[N-]N=N1	REAL000000003385	1	36	-1.0	-44.49	320.22	4.71	-39.78
CCCC(NC(=O)C1=CC=C(F)C(SC)=C1)C1=NNN=N1	REAL000000003385	1	37	0.0	-11.93	323.66	4.73	-7.20
CCCC(NC(=O)C(O)C1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000003386	0	36	-1.0	-42.95	340.55	3.39	-39.57
CCCC(NC(=O)C(O)C1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000003386	1	36	-1.0	-42.95	340.49	3.38	-39.57
CCCC(NC(=O)C(O)C1=CC(Cl)=CC(Cl)=C1)C1=NNN=N1	REAL000000003386	1	37	0.0	-10.27	343.92	3.40	-6.87
CCCC(NC(=O)C1=CC=CC(Br)=C1[O-])C1=NN=N[N-]1	REAL000000003387	0	32	-2.0	-109.50	300.04	3.83	-105.67
CCCC(NC(=O)C1=CC=CC(Br)=C1[O-])C1=N[N-]N=N1	REAL000000003387	1	32	-2.0	-109.51	299.99	3.82	-105.69
CCCC(NC(=O)C1=CC(OCC2=CC=CC=C2)=CC=C1O)C1=NN=N[N-]1	REAL000000003388	0	47	-1.0	-48.71	394.42	5.45	-43.26
CCCC(NC(=O)C1=CC(OCC2=CC=CC=C2)=CC=C1O)C1=N[N-]N=N1	REAL000000003388	1	47	-1.0	-48.71	394.36	5.44	-43.26
CCCC(NC(=O)C1=CC(OCC2=CC=CC=C2)=CC=C1O)C1=NNN=N1	REAL000000003388	1	48	0.0	-13.26	397.79	5.46	-7.79
CCCC(NC(=O)C1=CC(OC2=CC=CC=C2)=CC=C1O)C1=NN=N[N-]1	REAL000000003389	0	44	-1.0	-48.45	371.87	5.01	-43.45
CCCC(NC(=O)C1=CC(OC2=CC=CC=C2)=CC=C1O)C1=N[N-]N=N1	REAL000000003389	1	44	-1.0	-48.45	371.82	5.01	-43.44
CCCC(NC(=O)C1=CC(OC2=CC=CC=C2)=CC=C1O)C1=NNN=N1	REAL000000003389	1	45	0.0	-11.60	375.25	5.02	-6.58
CCCC(NC(=O)C1=CC=C(NC(=O)NC(C)(C)C)C=C1O)C1=NN=N[N-]1	REAL000000003390	0	51	-1.0	-56.02	409.59	1.79	-54.23
CCCC(NC(=O)C1=CC=C(NC(=O)NC(C)(C)C)C=C1O)C1=N[N-]N=N1	REAL000000003390	1	51	-1.0	-56.02	409.53	1.78	-54.24
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1O)C1=NN=N[N-]1	REAL000000003391	0	50	-1.0	-52.82	405.14	2.45	-50.37
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1O)C1=N[N-]N=N1	REAL000000003391	1	50	-1.0	-52.82	405.08	2.44	-50.38
CCCC(NC(=O)C1=CC=C2N=S=NC2=C1)C1=NN=N[N-]1	REAL000000003392	0	33	-1.0	-47.30	298.45	1.98	-45.32
CCCC(NC(=O)C1=CC=C2N=S=NC2=C1)C1=N[N-]N=N1	REAL000000003392	1	33	-1.0	-47.29	298.39	1.97	-45.32
CCCC(NC(=O)C1=CC=C2N=S=NC2=C1)C1=NNN=N1	REAL000000003392	1	34	0.0	-13.70	301.83	1.99	-11.71
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C=C1F)C1=NN=N[N-]1	REAL000000003393	0	37	-1.0	-54.68	333.03	-1.32	-56.00
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C=C1F)C1=N[N-]N=N1	REAL000000003393	1	37	-1.0	-54.68	332.97	-1.32	-56.00
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C=C1F)C1=NNN=N1	REAL000000003393	1	38	0.0	-19.89	336.40	-1.31	-21.20
CCCC(NC(=O)C1=CN=C(C2=CC=CN=C2)S1)C1=NN=N[N-]1	REAL000000003394	0	37	-1.0	-46.02	336.14	2.76	-43.26
CCCC(NC(=O)C1=CN=C(C2=CC=CN=C2)S1)C1=N[N-]N=N1	REAL000000003394	1	37	-1.0	-46.02	336.08	2.76	-43.26
CCCC(NC(=O)C1=CN=C(C2=CC=CN=C2)S1)C1=NNN=N1	REAL000000003394	1	38	0.0	-11.94	339.52	2.77	-9.17
CCCC(NC(=O)COC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL000000003395	0	36	-1.0	-51.13	328.31	4.87	-46.26
CCCC(NC(=O)COC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL000000003395	1	36	-1.0	-51.13	328.26	4.86	-46.27
CCCC(NC(=O)COC1=CC=CC=C1Br)C1=NNN=N1	REAL000000003395	1	37	0.0	-15.98	331.69	4.88	-11.10
CCCC(NC(=O)C(O)C(C)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000003396	0	45	-1.0	-45.41	361.56	4.47	-40.94
CCCC(NC(=O)C(O)C(C)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000003396	1	45	-1.0	-45.41	361.50	4.47	-40.94
CCCC(NC(=O)C(O)C(C)C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000003396	1	46	0.0	-11.26	364.50	4.46	-6.80
CCCC(NC(=O)C1=CC=CC(Br)=N1)C1=NN=N[N-]1	REAL000000003397	0	31	-1.0	-45.53	293.03	2.42	-43.10
CCCC(NC(=O)C1=CC=CC(Br)=N1)C1=N[N-]N=N1	REAL000000003397	1	31	-1.0	-45.52	292.97	2.41	-43.11
CCCC(NC(=O)C1=CC=CC(Br)=N1)C1=NNN=N1	REAL000000003397	1	32	0.0	-9.67	296.41	2.43	-7.24
CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=NN=N[N-]1	REAL000000003398	0	34	-2.0	-115.14	305.63	4.44	-110.70
CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=N[N-]N=N1	REAL000000003398	1	34	-2.0	-115.15	305.58	4.45	-110.70
CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=NNN=N1	REAL000000003398	1	35	-1.0	-54.48	301.84	4.02	-50.46
CCCC(NC(=O)C1=CC(C2=CC=CC=N2)=CC=C1Cl)C1=NN=N[N-]1	REAL000000003399	0	41	-1.0	-51.39	358.52	6.05	-45.35
CCCC(NC(=O)C1=CC(C2=CC=CC=N2)=CC=C1Cl)C1=N[N-]N=N1	REAL000000003399	1	41	-1.0	-51.40	358.47	6.04	-45.36
CCCC(NC(=O)C1=CC(C2=CC=CC=N2)=CC=C1Cl)C1=NNN=N1	REAL000000003399	1	42	0.0	-13.02	361.84	6.06	-6.95
CCCC(NC(=O)C=CC1=CC=C(O)C(OCC)=C1)C1=NN=N[N-]1	REAL000000003400	0	44	-1.0	-47.92	370.93	2.94	-44.98
CCCC(NC(=O)C=CC1=CC=C(O)C(OCC)=C1)C1=N[N-]N=N1	REAL000000003400	1	44	-1.0	-47.92	370.87	2.94	-44.98
CCCC(NC(=O)C=CC1=CC=C(O)C(OCC)=C1)C1=NNN=N1	REAL000000003400	1	45	0.0	-13.89	374.31	2.95	-10.95
CCCC(NC(=O)C1=CSC(C2=NC=CC=C2F)=N1)C1=NN=N[N-]1	REAL000000003401	0	37	-1.0	-51.62	340.81	2.56	-49.06
CCCC(NC(=O)C1=CSC(C2=NC=CC=C2F)=N1)C1=N[N-]N=N1	REAL000000003401	1	37	-1.0	-51.62	340.76	2.56	-49.06
CCCC(NC(=O)C1=CSC(C2=NC=CC=C2F)=N1)C1=NNN=N1	REAL000000003401	1	38	0.0	-13.64	344.19	2.57	-11.07
CCCC(NC(=O)C1=CC(C)=C(Br)C=C1C)C1=NN=N[N-]1	REAL000000003402	0	38	-1.0	-43.43	329.86	5.52	-37.91
CCCC(NC(=O)C1=CC(C)=C(Br)C=C1C)C1=N[N-]N=N1	REAL000000003402	1	38	-1.0	-43.43	329.80	5.52	-37.91
CCCC(NC(=O)C1=CC(C)=C(Br)C=C1C)C1=NNN=N1	REAL000000003402	1	39	0.0	-9.17	333.24	5.53	-3.64
CCCC(NC(=O)C=CC1=CC=C(F)C(OC)=C1)C1=NN=N[N-]1	REAL000000003403	0	40	-1.0	-46.99	344.58	4.22	-42.77
CCCC(NC(=O)C=CC1=CC=C(F)C(OC)=C1)C1=N[N-]N=N1	REAL000000003403	1	40	-1.0	-46.99	344.52	4.22	-42.77
CCCC(NC(=O)C=CC1=CC=C(F)C(OC)=C1)C1=NNN=N1	REAL000000003403	1	41	0.0	-13.77	347.95	4.23	-9.54
CCCC(NC(=O)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL000000003404	0	41	-1.0	-56.89	364.09	5.85	-51.04
CCCC(NC(=O)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL000000003404	1	41	-1.0	-56.90	364.03	5.84	-51.05
CCCC(NC(=O)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000003404	1	42	0.0	-20.78	367.48	5.86	-14.92
CCCC(NC(=O)C1CC12CCN(C(=O)OC(C)(C)C)CC2)C1=NN=N[N-]1	REAL000000003405	0	56	-1.0	-49.66	434.82	5.83	-43.83
CCCC(NC(=O)C1CC12CCN(C(=O)OC(C)(C)C)CC2)C1=N[N-]N=N1	REAL000000003405	1	56	-1.0	-49.66	434.77	5.83	-43.83
CCCC(NC(=O)C1CC12CCN(C(=O)OC(C)(C)C)CC2)C1=NNN=N1	REAL000000003405	1	57	0.0	-13.81	434.13	5.99	-7.82
CCCC(NC(=O)CC(O)C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL000000003406	0	39	-1.0	-47.68	333.49	2.92	-44.76
CCCC(NC(=O)CC(O)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL000000003406	1	39	-1.0	-47.69	333.44	2.92	-44.77
CCCC(NC(=O)CC(O)C1=CC=CC(F)=C1)C1=NNN=N1	REAL000000003406	1	40	0.0	-11.35	329.88	2.51	-8.84
CCCC(NC(=O)C1=CN=C(C(=O)OC)C=N1)C1=NN=N[N-]1	REAL000000003407	0	36	-1.0	-42.21	322.18	0.68	-41.53
CCCC(NC(=O)C1=CN=C(C(=O)OC)C=N1)C1=N[N-]N=N1	REAL000000003407	1	36	-1.0	-42.21	322.13	0.69	-41.53
CCCC(NC(=O)C1=CN=C(C(=O)OC)C=N1)C1=NNN=N1	REAL000000003407	1	37	0.0	-9.80	325.56	0.69	-9.10
CCCC(NC(=O)C1=CC=CN2C(=O)NN=C12)C1=NN=N[N-]1	REAL000000003408	0	35	-1.0	-49.13	305.12	2.31	-46.82
CCCC(NC(=O)C1=CC=CN2C(=O)NN=C12)C1=N[N-]N=N1	REAL000000003408	1	35	-1.0	-49.13	305.06	2.30	-46.83
CCCC(NC(=O)C1=CC=CN2C(=O)NN=C12)C1=NNN=N1	REAL000000003408	1	36	0.0	-13.01	301.32	1.99	-11.02
CCCC(NC(=O)COC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL000000003409	0	42	-1.0	-55.33	368.58	1.75	-53.58
CCCC(NC(=O)COC1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL000000003409	1	42	-1.0	-55.33	368.52	1.75	-53.58
CCCC(NC(=O)COC1=CC=C(S(C)(=O)=O)C=C1)C1=NNN=N1	REAL000000003409	1	43	0.0	-22.37	371.95	1.76	-20.61
CCCC(NC(=O)C1=CN=C2SCC(=O)NC2=C1)C1=NN=N[N-]1	REAL000000003410	0	37	-1.0	-45.44	329.46	0.73	-44.71
CCCC(NC(=O)C1=CN=C2SCC(=O)NC2=C1)C1=N[N-]N=N1	REAL000000003410	1	37	-1.0	-45.43	329.40	0.72	-44.71
CCCC(NC(=O)C1=CN=C2SCC(=O)NC2=C1)C1=NNN=N1	REAL000000003410	1	38	0.0	-10.65	325.64	0.41	-10.24
CCCC(NC(=O)CC1=CC=CC=C1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000003411	0	52	-1.0	-46.72	417.88	4.83	-41.89
CCCC(NC(=O)CC1=CC=CC=C1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000003411	1	52	-1.0	-46.71	417.83	4.83	-41.88
CCCC(NC(=O)CC1=CC=CC=C1NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003411	1	53	0.0	-13.77	421.26	4.84	-8.93
CCCC(NC(=O)C1=NC=CN2C(Br)=CN=C12)C1=NN=N[N-]1	REAL000000003412	0	34	-1.0	-52.36	319.87	3.11	-49.25
CCCC(NC(=O)C1=NC=CN2C(Br)=CN=C12)C1=N[N-]N=N1	REAL000000003412	1	34	-1.0	-52.36	319.81	3.10	-49.26
CCCC(NC(=O)C1=NC=CN2C(Br)=CN=C12)C1=NNN=N1	REAL000000003412	1	35	0.0	-15.21	323.25	3.12	-12.09
CCCC(NC(=O)C1=C(C)N=C(C(C)(C)C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL000000003413	0	50	-1.0	-46.08	411.90	6.97	-39.11
CCCC(NC(=O)C1=C(C)N=C(C(C)(C)C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL000000003413	1	50	-1.0	-46.09	411.85	6.96	-39.13
CCCC(NC(=O)C1=C(C)N=C(C(C)(C)C2=CC=CC=C2)S1)C1=NNN=N1	REAL000000003413	1	51	0.0	-11.53	415.28	6.98	-4.56
CCCC(NC(=O)C1=CC2=CC=C(C(F)(F)F)C=C2N1)C1=NN=N[N-]1	REAL000000003414	0	39	-1.0	-43.34	347.07	4.57	-38.77
CCCC(NC(=O)C1=CC2=CC=C(C(F)(F)F)C=C2N1)C1=N[N-]N=N1	REAL000000003414	1	39	-1.0	-43.34	347.01	4.57	-38.77
CCCC(NC(=O)C1=CC2=CC=C(C(F)(F)F)C=C2N1)C1=NNN=N1	REAL000000003414	1	40	0.0	-7.96	343.26	4.26	-3.70
CCCC(NC(=O)C(C)CC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000003415	0	41	-1.0	-43.64	357.09	6.22	-37.42
CCCC(NC(=O)C(C)CC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000003415	1	41	-1.0	-43.64	357.03	6.22	-37.42
CCCC(NC(=O)C(C)CC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000003415	1	42	0.0	-9.55	360.42	6.22	-3.33
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC=C1CC)C1=NN=N[N-]1	REAL000000003416	0	44	-1.0	-49.92	369.01	2.56	-47.37
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC=C1CC)C1=N[N-]N=N1	REAL000000003416	1	44	-1.0	-49.93	368.96	2.56	-47.36
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC=C1CC)C1=NNN=N1	REAL000000003416	1	45	0.0	-16.78	372.73	2.62	-14.16
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC(C)=C1C)C1=NN=N[N-]1	REAL000000003417	0	44	-1.0	-50.09	368.53	2.43	-47.66
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC(C)=C1C)C1=N[N-]N=N1	REAL000000003417	1	44	-1.0	-50.10	368.47	2.42	-47.68
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC(C)=C1C)C1=NNN=N1	REAL000000003417	1	45	0.0	-17.10	371.91	2.44	-14.66
CCCC(NC(=O)C1=CC2=CC(Br)=CC(C)=C2O1)C1=NN=N[N-]1	REAL000000003418	0	38	-1.0	-42.78	348.28	5.32	-37.46
CCCC(NC(=O)C1=CC2=CC(Br)=CC(C)=C2O1)C1=N[N-]N=N1	REAL000000003418	1	38	-1.0	-42.78	348.22	5.32	-37.46
CCCC(NC(=O)C1=CC2=CC(Br)=CC(C)=C2O1)C1=NNN=N1	REAL000000003418	1	39	0.0	-8.82	351.65	5.33	-3.49
CCCC(NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1=NN=N[N-]1	REAL000000003419	0	58	-1.0	-44.46	454.24	1.20	-43.26
CCCC(NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1=N[N-]N=N1	REAL000000003419	1	58	-1.0	-44.46	454.18	1.20	-43.25
CCCC(NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1=NNN=N1	REAL000000003419	1	59	0.0	-11.72	457.61	1.21	-10.51
CCCC(NC(=O)C1=CC(OCCOC)=C2C=CC=CC2=N1)C1=NN=N[N-]1	REAL000000003420	0	48	-1.0	-48.78	402.11	3.66	-45.13
CCCC(NC(=O)C1=CC(OCCOC)=C2C=CC=CC2=N1)C1=N[N-]N=N1	REAL000000003420	1	48	-1.0	-48.78	402.05	3.66	-45.12
CCCC(NC(=O)C1=CC(OCCOC)=C2C=CC=CC2=N1)C1=NNN=N1	REAL000000003420	1	49	0.0	-12.47	405.49	3.67	-8.80
CCCC(NC(=O)CCN1C=CC2=CC(Cl)=CC=C21)C1=NN=N[N-]1	REAL000000003421	0	42	-1.0	-42.78	369.99	6.82	-35.96
CCCC(NC(=O)CCN1C=CC2=CC(Cl)=CC=C21)C1=N[N-]N=N1	REAL000000003421	1	42	-1.0	-42.77	369.93	6.82	-35.96
CCCC(NC(=O)CCN1C=CC2=CC(Cl)=CC=C21)C1=NNN=N1	REAL000000003421	1	43	0.0	-11.54	373.37	6.83	-4.71
CCCC(NC(=O)C(C)=CC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000003422	0	39	-1.0	-45.28	338.50	5.96	-39.32
CCCC(NC(=O)C(C)=CC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000003422	1	39	-1.0	-45.28	338.45	5.95	-39.34
CCCC(NC(=O)C(C)=CC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000003422	1	40	0.0	-7.28	334.40	5.61	-1.67
CCCC(NC(=O)C1=C(C(F)F)N=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL000000003423	0	41	-1.0	-49.90	369.20	5.42	-44.48
CCCC(NC(=O)C1=C(C(F)F)N=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL000000003423	1	41	-1.0	-49.90	369.14	5.42	-44.48
CCCC(NC(=O)C1=C(C(F)F)N=C(C2=CC=CC=C2)S1)C1=NNN=N1	REAL000000003423	1	42	0.0	-13.58	374.10	5.39	-8.19
CCCC(NC(=O)C1=CC2=CC(F)=CC=C2OC1)C1=NN=N[N-]1	REAL000000003424	0	38	-1.0	-46.12	326.68	4.22	-41.90
CCCC(NC(=O)C1=CC2=CC(F)=CC=C2OC1)C1=N[N-]N=N1	REAL000000003424	1	38	-1.0	-46.11	326.62	4.22	-41.89
CCCC(NC(=O)C1=CC2=CC(F)=CC=C2OC1)C1=NNN=N1	REAL000000003424	1	39	0.0	-11.49	330.02	4.23	-7.26
CCCC(NC(=O)C1COC2=CC=C(F)C=C2C1)C1=NN=N[N-]1	REAL000000003425	0	40	-1.0	-44.31	335.34	4.24	-40.08
CCCC(NC(=O)C1COC2=CC=C(F)C=C2C1)C1=N[N-]N=N1	REAL000000003425	1	40	-1.0	-44.31	335.28	4.24	-40.07
CCCC(NC(=O)C1COC2=CC=C(F)C=C2C1)C1=NNN=N1	REAL000000003425	1	41	0.0	-11.10	338.77	4.24	-6.86
CCCC(NC(=O)C1=CC=C(F)C(C(=O)CC)=C1)C1=NN=N[N-]1	REAL000000003426	0	40	-1.0	-45.33	341.93	5.02	-40.31
CCCC(NC(=O)C1=CC=C(F)C(C(=O)CC)=C1)C1=N[N-]N=N1	REAL000000003426	1	40	-1.0	-45.32	341.87	5.02	-40.30
CCCC(NC(=O)C1=CC=C(F)C(C(=O)CC)=C1)C1=NNN=N1	REAL000000003426	1	41	0.0	-14.89	345.31	5.02	-9.87
CCCC(NC(=O)C1=CN=C2C(=C1CC)C(=O)N(C)C(=O)N2C)C1=NN=N[N-]1	REAL000000003427	0	49	-1.0	-45.25	392.24	4.74	-40.51
CCCC(NC(=O)C1=CN=C2C(=C1CC)C(=O)N(C)C(=O)N2C)C1=N[N-]N=N1	REAL000000003427	1	49	-1.0	-45.25	392.18	4.75	-40.50
CCCC(NC(=O)C1=CN=C2C(=C1CC)C(=O)N(C)C(=O)N2C)C1=NNN=N1	REAL000000003427	1	50	0.0	-13.18	395.99	4.68	-8.50
CCCC(NC(=O)C1=CC=C(C(C)(C)CC)C=C1)C1=NN=N[N-]1	REAL000000003428	0	47	-1.0	-46.27	364.69	6.48	-39.79
CCCC(NC(=O)C1=CC=C(C(C)(C)CC)C=C1)C1=N[N-]N=N1	REAL000000003428	1	47	-1.0	-46.26	364.63	6.47	-39.79
CCCC(NC(=O)C1=CC=C(C(C)(C)CC)C=C1)C1=NNN=N1	REAL000000003428	1	48	0.0	-7.01	360.89	6.15	-0.86
CCCC(NC(=O)C1=CC=C(Cl)C(Br)=C1)C1=NN=N[N-]1	REAL000000003429	0	32	-1.0	-41.81	310.44	4.72	-37.08
CCCC(NC(=O)C1=CC=C(Cl)C(Br)=C1)C1=N[N-]N=N1	REAL000000003429	1	32	-1.0	-41.81	310.38	4.72	-37.09
CCCC(NC(=O)C1=CC=C(Cl)C(Br)=C1)C1=NNN=N1	REAL000000003429	1	33	0.0	-6.30	306.63	4.40	-1.90
CCCC(NC(=O)C1=C2N=CC(Br)=CN2N=C1)C1=NN=N[N-]1	REAL000000003430	0	34	-1.0	-52.76	319.97	3.15	-49.61
CCCC(NC(=O)C1=C2N=CC(Br)=CN2N=C1)C1=N[N-]N=N1	REAL000000003430	1	34	-1.0	-52.76	319.91	3.14	-49.62
CCCC(NC(=O)C1=C2N=CC(Br)=CN2N=C1)C1=NNN=N1	REAL000000003430	1	35	0.0	-16.21	323.35	3.16	-13.05
CCCC(NC(=O)C1=CSC(C2CCCO2)=N1)C1=NN=N[N-]1	REAL000000003431	0	39	-1.0	-46.12	340.66	1.67	-44.45
CCCC(NC(=O)C1=CSC(C2CCCO2)=N1)C1=N[N-]N=N1	REAL000000003431	1	39	-1.0	-46.11	340.60	1.67	-44.44
CCCC(NC(=O)C1=CSC(C2CCCO2)=N1)C1=NNN=N1	REAL000000003431	1	40	0.0	-10.63	343.72	1.66	-8.97
CCCC(NC(=O)C1=CSC(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000003432	0	35	-1.0	-52.44	328.45	0.16	-52.28
CCCC(NC(=O)C1=CSC(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000003432	1	35	-1.0	-52.44	328.39	0.15	-52.28
CCCC(NC(=O)C1=CSC(S(C)(=O)=O)=C1)C1=NNN=N1	REAL000000003432	1	36	0.0	-15.88	324.61	-0.16	-16.04
CCCC(NC(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000003433	0	37	-1.0	-44.19	336.33	5.35	-38.84
CCCC(NC(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000003433	1	37	-1.0	-44.18	336.28	5.34	-38.84
CCCC(NC(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000003433	1	38	0.0	-12.09	339.72	5.36	-6.73
CCCC(NC(=O)CCCCC1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL000000003434	0	44	-1.0	-45.19	395.29	7.66	-37.53
CCCC(NC(=O)CCCCC1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL000000003434	1	44	-1.0	-45.19	395.24	7.66	-37.53
CCCC(NC(=O)CCCCC1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000003434	1	45	0.0	-9.02	391.50	7.34	-1.68
CCCC(NC(=O)C1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL000000003435	0	34	-1.0	-47.27	309.75	3.13	-44.13
CCCC(NC(=O)C1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL000000003435	1	34	-1.0	-47.27	309.69	3.13	-44.14
CCCC(NC(=O)C1=NC2=CC=CC=C2S1)C1=NNN=N1	REAL000000003435	1	35	0.0	-8.98	305.96	2.81	-6.18
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1OCC)C1=NN=N[N-]1	REAL000000003436	0	42	-1.0	-46.51	357.68	4.76	-41.75
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1OCC)C1=N[N-]N=N1	REAL000000003436	1	42	-1.0	-46.51	357.62	4.76	-41.75
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1OCC)C1=NNN=N1	REAL000000003436	1	43	0.0	-10.96	361.06	4.77	-6.19
CCCC(NC(=O)C1=C(C(C)C)C(C(C)=O)=C(C)N1)C1=NN=N[N-]1	REAL000000003437	0	47	-1.0	-51.24	377.52	4.33	-46.91
CCCC(NC(=O)C1=C(C(C)C)C(C(C)=O)=C(C)N1)C1=N[N-]N=N1	REAL000000003437	1	47	-1.0	-51.24	377.46	4.32	-46.91
CCCC(NC(=O)C1=C(C(C)C)C(C(C)=O)=C(C)N1)C1=NNN=N1	REAL000000003437	1	48	0.0	-14.82	379.85	4.30	-10.52
CCCC(NC(=O)C1=NOC(CN2C=C(C)C=N2)=C1)C1=NN=N[N-]1	REAL000000003438	0	41	-1.0	-52.15	359.25	3.41	-48.74
CCCC(NC(=O)C1=NOC(CN2C=C(C)C=N2)=C1)C1=N[N-]N=N1	REAL000000003438	1	41	-1.0	-52.15	359.19	3.42	-48.74
CCCC(NC(=O)C1=NOC(CN2C=C(C)C=N2)=C1)C1=NNN=N1	REAL000000003438	1	42	0.0	-14.52	362.62	3.43	-11.10
CCCC(NC(=O)C1=COC(S(=O)(=O)NC)=C1)C1=NN=N[N-]1	REAL000000003439	0	37	-1.0	-51.46	336.76	-2.14	-53.61
CCCC(NC(=O)C1=COC(S(=O)(=O)NC)=C1)C1=N[N-]N=N1	REAL000000003439	1	37	-1.0	-51.46	336.70	-2.15	-53.61
CCCC(NC(=O)C1=CC=C(CC2=NN=CN2)C=C1)C1=NN=N[N-]1	REAL000000003440	0	41	-1.0	-57.65	351.14	5.51	-52.15
CCCC(NC(=O)C1=CC=C(CC2=NN=CN2)C=C1)C1=N[N-]N=N1	REAL000000003440	1	41	-1.0	-57.66	351.08	5.51	-52.15
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1)C1=NN=N[N-]1	REAL000000003441	0	43	-1.0	-43.98	376.26	5.18	-38.80
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1)C1=N[N-]N=N1	REAL000000003441	1	43	-1.0	-43.97	376.20	5.18	-38.79
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1)C1=NNN=N1	REAL000000003441	1	44	0.0	-14.32	379.63	5.19	-9.14
CCCC(NC(=O)C1=NN(CCO)C(=O)CC1)C1=NN=N[N-]1	REAL000000003442	0	40	-1.0	-44.27	339.20	-1.57	-45.83
CCCC(NC(=O)C1=NN(CCO)C(=O)CC1)C1=N[N-]N=N1	REAL000000003442	1	40	-1.0	-44.27	339.15	-1.58	-45.84
CCCC(NC(=O)C1=NN(CCO)C(=O)CC1)C1=NNN=N1	REAL000000003442	1	41	0.0	-11.70	342.57	-1.56	-13.26
CCCC(NC(=O)C1CCC(C(=O)OC)CC1)C1=NN=N[N-]1	REAL000000003443	0	44	-1.0	-47.91	354.79	4.53	-43.38
CCCC(NC(=O)C1CCC(C(=O)OC)CC1)C1=N[N-]N=N1	REAL000000003443	1	44	-1.0	-47.90	354.75	4.53	-43.37
CCCC(NC(=O)C1CCC(C(=O)OC)CC1)C1=NNN=N1	REAL000000003443	1	45	0.0	-9.89	351.01	4.20	-5.68
CCCC(NC(=O)C1=CN=CC(C(=O)OC)=C1)C1=NN=N[N-]1	REAL000000003444	0	37	-1.0	-48.06	324.28	2.52	-45.54
CCCC(NC(=O)C1=CN=CC(C(=O)OC)=C1)C1=N[N-]N=N1	REAL000000003444	1	37	-1.0	-48.06	324.23	2.51	-45.55
CCCC(NC(=O)C1=CN=CC(C(=O)OC)=C1)C1=NNN=N1	REAL000000003444	1	38	0.0	-14.28	327.66	2.52	-11.75
CCCC(NC(=O)CCS(=O)(=O)N(C)C)C1=NN=N[N-]1	REAL000000003445	0	39	-1.0	-48.41	336.90	-0.55	-48.97
CCCC(NC(=O)CCS(=O)(=O)N(C)C)C1=N[N-]N=N1	REAL000000003445	1	39	-1.0	-48.41	336.84	-0.56	-48.98
CCCC(NC(=O)CCS(=O)(=O)N(C)C)C1=NNN=N1	REAL000000003445	1	40	0.0	-15.35	340.27	-0.55	-15.90
CCCC(NC(=O)CCC(=O)N1CCC(O)CC1)C1=NN=N[N-]1	REAL000000003446	0	46	-1.0	-46.50	368.79	0.31	-46.19
CCCC(NC(=O)CCC(=O)N1CCC(O)CC1)C1=N[N-]N=N1	REAL000000003446	1	46	-1.0	-46.50	368.73	0.31	-46.19
CCCC(NC(=O)CCC(=O)N1CCC(O)CC1)C1=NNN=N1	REAL000000003446	1	47	0.0	-11.74	364.98	-0.00	-11.74
CCCC(NC(=O)CCC(=O)NC1=CC=C2NC(=O)NC2=N1)C1=NN=N[N-]1	REAL000000003447	0	45	-1.0	-55.16	385.91	0.90	-54.27
CCCC(NC(=O)CCC(=O)NC1=CC=C2NC(=O)NC2=N1)C1=N[N-]N=N1	REAL000000003447	1	45	-1.0	-55.16	385.85	0.90	-54.26
CCCC(NC(=O)CCC(=O)NC1=CC=C2NC(=O)NC2=N1)C1=NNN=N1	REAL000000003447	1	46	0.0	-22.11	389.29	0.90	-21.21
CCCC(NC(=O)C1=CC=C(N2C=NC3=CC=CC=C32)N=C1)C1=NN=N[N-]1	REAL000000003448	0	44	-1.0	-49.16	371.15	7.59	-41.58
CCCC(NC(=O)C1=CC=C(N2C=NC3=CC=CC=C32)N=C1)C1=N[N-]N=N1	REAL000000003448	1	44	-1.0	-49.16	371.10	7.59	-41.57
CCCC(NC(=O)C1=CC=C(N2C=NC3=CC=CC=C32)N=C1)C1=NNN=N1	REAL000000003448	1	45	0.0	-14.10	367.35	7.26	-6.84
CCCC(NC(=O)C1=C2C=CC=C(S(N)(=O)=O)C2=CC=N1)C1=NN=N[N-]1	REAL000000003449	0	42	-1.0	-49.20	361.98	-0.87	-50.06
CCCC(NC(=O)C1=C2C=CC=C(S(N)(=O)=O)C2=CC=N1)C1=N[N-]N=N1	REAL000000003449	1	42	-1.0	-49.20	361.92	-0.88	-50.07
CCCC(NC(=O)C1=C2C=CC=C(S(N)(=O)=O)C2=CC=N1)C1=NNN=N1	REAL000000003449	1	43	0.0	-15.15	365.36	-0.86	-16.01
CCCC(NC(=O)C1=CC(I)=CC=C1O)C1=NN=N[N-]1	REAL000000003450	0	33	-1.0	-46.40	310.97	3.27	-43.13
CCCC(NC(=O)C1=CC(I)=CC=C1O)C1=N[N-]N=N1	REAL000000003450	1	33	-1.0	-46.40	310.91	3.27	-43.13
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=NN=N[N-]1	REAL000000003451	0	34	-2.0	-98.22	307.80	3.86	-94.36
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=N[N-]N=N1	REAL000000003451	1	34	-2.0	-98.22	307.74	3.86	-94.37
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=NNN=N1	REAL000000003451	1	35	-1.0	-39.41	304.00	3.43	-35.98
CCCC(NC(=O)C1=CC=C(Br)C=C1O)C1=NN=N[N-]1	REAL000000003452	0	33	-1.0	-46.50	304.47	2.80	-43.69
CCCC(NC(=O)C1=CC2=C(C=C1O)OCO2)C1=NN=N[N-]1	REAL000000003453	0	36	-1.0	-47.85	309.21	0.85	-47.00
CCCC(NC(=O)C1=CC2=C(C=C1O)OCO2)C1=N[N-]N=N1	REAL000000003453	1	36	-1.0	-47.85	309.15	0.84	-47.01
CCCC(NC(=O)C1=CC2=C(C=C1O)OCO2)C1=NNN=N1	REAL000000003453	1	37	0.0	-12.17	312.58	0.86	-11.31
CCCC(NC(=O)C1=CC(Cl)=C2C=CC=CC2=C1[O-])C1=NN=N[N-]1	REAL000000003454	0	38	-2.0	-111.73	338.82	5.92	-105.81
CCCC(NC(=O)C1=CC=C(C(C)C)C=C1O)C1=NN=N[N-]1	REAL000000003455	0	42	-1.0	-49.05	343.31	4.11	-44.94
CCCC(NC(=O)C1=CC=C(C(C)C)C=C1O)C1=N[N-]N=N1	REAL000000003455	1	42	-1.0	-49.05	343.26	4.10	-44.95
CCCC(NC(=O)C1=CC=C(C(C)C)C=C1O)C1=NNN=N1	REAL000000003455	1	43	0.0	-11.93	346.70	4.12	-7.81
CCCC(NC(=O)C1=CC=C(C)N=C1Br)C1=NN=N[N-]1	REAL000000003456	0	34	-1.0	-48.42	307.38	3.02	-45.40
CCCC(NC(=O)C1=CC=C(C)N=C1Br)C1=N[N-]N=N1	REAL000000003456	1	34	-1.0	-48.41	307.32	3.02	-45.40
CCCC(NC(=O)C1=CC=C(C)N=C1Br)C1=NNN=N1	REAL000000003456	1	35	0.0	-10.63	303.58	2.69	-7.93
CCCCS(=O)(=O)NCC(=O)NC(CCC)C1=NN=N[N-]1	REAL000000003457	0	42	-1.0	-55.05	359.92	-0.69	-55.74
CCCCS(=O)(=O)NCC(=O)NC(CCC)C1=N[N-]N=N1	REAL000000003457	1	42	-1.0	-55.05	359.87	-0.69	-55.73
CCCCS(=O)(=O)NCC(=O)NC(CCC)C1=NNN=N1	REAL000000003457	1	43	0.0	-20.07	363.30	-0.68	-20.76
CCCC(NC(=O)C1=CC=C(N2C=CN=N2)C=C1)C1=NN=N[N-]1	REAL000000003458	0	38	-1.0	-52.10	327.70	3.47	-48.63
CCCC(NC(=O)C1=CC=C(N2C=CN=N2)C=C1)C1=N[N-]N=N1	REAL000000003458	1	38	-1.0	-52.10	327.65	3.47	-48.63
CCCC(NC(=O)C1=CC=C(N2C=CN=N2)C=C1)C1=NNN=N1	REAL000000003458	1	39	0.0	-19.07	331.08	3.48	-15.59
CCCC(NC(=O)CCC1=CC=CC=C1C(=O)OC)C1=NN=N[N-]1	REAL000000003459	0	44	-1.0	-54.26	366.56	5.53	-48.73
CCCC(NC(=O)CCC1=CC=CC=C1C(=O)OC)C1=N[N-]N=N1	REAL000000003459	1	44	-1.0	-54.26	366.51	5.52	-48.73
CCCC(NC(=O)CCC1=CC=CC=C1C(=O)OC)C1=NNN=N1	REAL000000003459	1	45	0.0	-10.59	362.75	5.21	-5.38
CCCC(NC(=O)C1=CC=C(C)C=C1Br)C1=NN=N[N-]1	REAL000000003460	0	35	-1.0	-47.41	312.02	4.95	-42.47
CCCC(NC(=O)C1=CC=C(C)C=C1Br)C1=N[N-]N=N1	REAL000000003460	1	35	-1.0	-47.41	311.96	4.94	-42.47
CCCC(NC(=O)C1=CC=C(C)C=C1Br)C1=NNN=N1	REAL000000003460	1	36	0.0	-11.53	315.40	4.96	-6.57
CCCC(NC(=O)C1=CC(NC(=O)C2=C(C)ON=C2)=CC=C1O)C1=NN=N[N-]1	REAL000000003461	0	46	-1.0	-52.59	391.91	2.46	-50.14
CCCC(NC(=O)C1=CC(NC(=O)C2=C(C)ON=C2)=CC=C1O)C1=N[N-]N=N1	REAL000000003461	1	46	-1.0	-52.59	391.86	2.46	-50.14
CCCC(NC(=O)C1=CC(NC(=O)C2=C(C)ON=C2)=CC=C1O)C1=NNN=N1	REAL000000003461	1	47	0.0	-17.03	395.30	2.47	-14.57
CCCC(NC(=O)C1=CC(C(C)C)=CC=C1O)C1=NN=N[N-]1	REAL000000003462	0	42	-1.0	-49.04	343.33	4.11	-44.92
CCCC(NC(=O)C1=CC(C(C)C)=CC=C1O)C1=N[N-]N=N1	REAL000000003462	1	42	-1.0	-49.03	343.27	4.10	-44.93
CCCC(NC(=O)C1=CC(C(C)C)=CC=C1O)C1=NNN=N1	REAL000000003462	1	43	0.0	-11.54	346.71	4.12	-7.41
CCCC(NC(=O)C1=CC(CCC2=CC=CC=C2)=CC=C1O)C1=NN=N[N-]1	REAL000000003463	0	49	-1.0	-50.43	407.48	7.41	-43.02
CCCC(NC(=O)C1=CC(CCC2=CC=CC=C2)=CC=C1O)C1=N[N-]N=N1	REAL000000003463	1	49	-1.0	-50.43	407.42	7.40	-43.03
CCCC(NC(=O)C1=CC(CCC2=CC=CC=C2)=CC=C1O)C1=NNN=N1	REAL000000003463	1	50	0.0	-13.62	410.86	7.42	-6.20
CCCC(NC(=O)C1=CC(CC2=CC=CC=C2)=CC=C1O)C1=NN=N[N-]1	REAL000000003464	0	46	-1.0	-50.31	385.98	6.61	-43.70
CCCC(NC(=O)C1=CC(CC2=CC=CC=C2)=CC=C1O)C1=N[N-]N=N1	REAL000000003464	1	46	-1.0	-50.31	385.92	6.62	-43.70
CCCC(NC(=O)C1=CC(CC2=CC=CC=C2)=CC=C1O)C1=NNN=N1	REAL000000003464	1	47	0.0	-10.30	382.18	6.19	-4.12
CCCC(NC(=O)C1=CC(C)=CC(OC)=C1O)C1=NN=N[N-]1	REAL000000003465	0	40	-1.0	-50.23	333.78	2.63	-47.61
CCCC(NC(=O)C1=CC(C)=CC(OC)=C1O)C1=N[N-]N=N1	REAL000000003465	1	40	-1.0	-50.23	333.72	2.62	-47.61
CCCC(NC(=O)C1=CC(C)=CC(OC)=C1O)C1=NNN=N1	REAL000000003465	1	41	0.0	-11.17	329.96	2.19	-8.98
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2)C=C1)C1=NN=N[N-]1	REAL000000003466	0	39	-1.0	-48.54	352.46	5.32	-43.22
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2)C=C1)C1=N[N-]N=N1	REAL000000003466	1	39	-1.0	-48.55	352.40	5.32	-43.22
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2)C=C1)C1=NNN=N1	REAL000000003466	1	40	0.0	-11.87	355.84	5.33	-6.53
CCCC(NC(=O)CNC1=CC=C(C#N)C=N1)C1=NN=N[N-]1	REAL000000003467	0	37	-1.0	-47.88	327.37	2.10	-45.78
CCCC(NC(=O)CNC1=CC=C(C#N)C=N1)C1=N[N-]N=N1	REAL000000003467	1	37	-1.0	-47.87	327.31	2.10	-45.78
CCCC(NC(=O)CNC1=CC=C(C#N)C=N1)C1=NNN=N1	REAL000000003467	1	38	0.0	-16.18	330.73	2.11	-14.07
CCCC(NC(=O)C1=CC=CC(C2OCCO2)=C1)C1=NN=N[N-]1	REAL000000003468	0	41	-1.0	-49.94	341.64	3.29	-46.65
CCCC(NC(=O)C1=CC=CC(C2OCCO2)=C1)C1=N[N-]N=N1	REAL000000003468	1	41	-1.0	-49.94	341.59	3.28	-46.66
CCCC(NC(=O)C1=CC=CC(C2OCCO2)=C1)C1=NNN=N1	REAL000000003468	1	42	0.0	-13.64	345.02	3.30	-10.35
CCCC(NC(=O)C1=CC=NC2=C(C(=O)OCC)C=NN21)C1=NN=N[N-]1	REAL000000003469	0	43	-1.0	-49.14	372.96	4.49	-44.65
CCCC(NC(=O)C1=CC=NC2=C(C(=O)OCC)C=NN21)C1=N[N-]N=N1	REAL000000003469	1	43	-1.0	-49.14	372.91	4.49	-44.65
CCCC(NC(=O)C1=CC=NC2=C(C(=O)OCC)C=NN21)C1=NNN=N1	REAL000000003469	1	44	0.0	-16.38	376.34	4.50	-11.88
CCCC(NC(=O)C1=CC=NC2=C(C(N)=O)C=NN21)C1=NN=N[N-]1	REAL000000003470	0	38	-1.0	-52.75	331.49	-0.37	-53.12
CCCC(NC(=O)C1=CC=NC2=C(C(N)=O)C=NN21)C1=N[N-]N=N1	REAL000000003470	1	38	-1.0	-52.75	331.43	-0.36	-53.12
CCCC(NC(=O)C1=CC=NC2=C(C(N)=O)C=NN21)C1=NNN=N1	REAL000000003470	1	39	0.0	-19.99	334.87	-0.36	-20.35
CCCC(NC(=O)C1=COC(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000003471	0	34	-1.0	-51.97	314.33	-3.37	-55.34
CCCC(NC(=O)C1=COC(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000003471	1	34	-1.0	-51.97	314.27	-3.38	-55.35
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL000000003472	0	38	-1.0	-54.26	330.78	5.34	-48.92
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL000000003472	1	38	-1.0	-54.26	330.72	5.33	-48.93
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=N1)C1=NNN=N1	REAL000000003472	1	39	0.0	-16.55	334.15	5.35	-11.20
CCCC(NC(=O)CN(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000003473	0	50	-1.0	-48.58	406.51	8.30	-40.28
CCCC(NC(=O)CN(CC1=CC=CC=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000003473	1	50	-1.0	-48.58	406.46	8.29	-40.28
CCCC(NC(=O)CN(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NNN=N1	REAL000000003473	1	51	0.0	-12.10	409.89	8.31	-3.79
CCCC(NC(=O)CC1=CC=CC=C1C(=O)OC)C1=NN=N[N-]1	REAL000000003474	0	41	-1.0	-55.00	346.43	4.69	-50.30
CCCC(NC(=O)CC1=CC=CC=C1C(=O)OC)C1=N[N-]N=N1	REAL000000003474	1	41	-1.0	-54.99	346.38	4.68	-50.30
CCCC(NC(=O)CC1=CC=CC=C1C(=O)OC)C1=NNN=N1	REAL000000003474	1	42	0.0	-14.64	349.81	4.70	-9.94
CCCC(NC(=O)C(C)OC1=CC=CC(CO)=C1)C1=NN=N[N-]1	REAL000000003475	0	43	-1.0	-52.64	357.34	2.17	-50.47
CCCC(NC(=O)C(C)OC1=CC=CC(CO)=C1)C1=N[N-]N=N1	REAL000000003475	1	43	-1.0	-52.64	357.28	2.16	-50.48
CCCC(NC(=O)C(C)OC1=CC=CC(CO)=C1)C1=NNN=N1	REAL000000003475	1	44	0.0	-16.13	360.73	2.18	-13.95
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC(Cl)=C1F)C1=NN=N[N-]1	REAL000000003476	0	37	-1.0	-52.53	349.22	-0.82	-53.34
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC(Cl)=C1F)C1=N[N-]N=N1	REAL000000003476	1	37	-1.0	-52.52	349.16	-0.82	-53.34
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC(Cl)=C1F)C1=NNN=N1	REAL000000003476	1	38	0.0	-17.02	352.65	-0.80	-17.82
CCCC(NC(=O)C1=CSC(CC2=CC=C(C)C=C2)=N1)C1=NN=N[N-]1	REAL000000003477	0	44	-1.0	-47.65	386.35	5.79	-41.86
CCCC(NC(=O)C1=CSC(CC2=CC=C(C)C=C2)=N1)C1=N[N-]N=N1	REAL000000003477	1	44	-1.0	-47.65	386.29	5.79	-41.86
CCCC(NC(=O)C1=CSC(CC2=CC=C(C)C=C2)=N1)C1=NNN=N1	REAL000000003477	1	45	0.0	-10.91	389.72	5.80	-5.11
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1C)C1=NN=N[N-]1	REAL000000003478	0	38	-1.0	-44.24	322.98	4.78	-39.45
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1C)C1=N[N-]N=N1	REAL000000003478	1	38	-1.0	-44.23	322.92	4.78	-39.45
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1C)C1=NNN=N1	REAL000000003478	1	39	0.0	-9.76	326.36	4.79	-4.96
CCCC(NC(=O)C(C)C1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000003479	0	38	-1.0	-44.29	336.21	5.49	-38.80
CCCC(NC(=O)C(C)C1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000003479	1	38	-1.0	-44.29	336.15	5.48	-38.80
CCCC(NC(=O)C(C)C1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000003479	1	39	0.0	-11.19	339.58	5.50	-5.69
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C(C)C)=C1)C1=NN=N[N-]1	REAL000000003480	0	48	-1.0	-50.10	392.00	6.33	-43.77
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C(C)C)=C1)C1=N[N-]N=N1	REAL000000003480	1	48	-1.0	-50.11	391.95	6.33	-43.77
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C(C)C)=C1)C1=NNN=N1	REAL000000003480	1	49	0.0	-11.99	395.38	6.34	-5.65
CCCC(NC(=O)CCC1=NC(CSC)=NO1)C1=NN=N[N-]1	REAL000000003481	0	40	-1.0	-45.41	356.67	1.77	-43.63
CCCC(NC(=O)CCC1=NC(CSC)=NO1)C1=N[N-]N=N1	REAL000000003481	1	40	-1.0	-45.40	356.61	1.77	-43.64
CCCC(NC(=O)CCC1=NC(CSC)=NO1)C1=NNN=N1	REAL000000003481	1	41	0.0	-12.97	360.04	1.78	-11.19
CCCC(NC(=O)C1=CC=C2C=C(Br)C=CC2=C1)C1=NN=N[N-]1	REAL000000003482	0	38	-1.0	-45.68	341.67	6.50	-39.18
CCCC(NC(=O)C1=CC=C2C=C(Br)C=CC2=C1)C1=N[N-]N=N1	REAL000000003482	1	38	-1.0	-45.68	341.62	6.50	-39.18
CCCC(NC(=O)C1=CC=C2C=C(Br)C=CC2=C1)C1=NNN=N1	REAL000000003482	1	39	0.0	-11.01	345.05	6.51	-4.50
CCCC(NC(=O)C1=CN(CC(=O)NC2CCCC2)N=C1)C1=NN=N[N-]1	REAL000000003483	0	49	-1.0	-57.17	404.48	2.93	-54.24
CCCC(NC(=O)C1=CN(CC(=O)NC2CCCC2)N=C1)C1=N[N-]N=N1	REAL000000003483	1	49	-1.0	-57.16	404.43	2.92	-54.24
CCCC(NC(=O)C1=CN(CC(=O)NC2CCCC2)N=C1)C1=NNN=N1	REAL000000003483	1	50	0.0	-17.91	400.02	2.67	-15.24
CCCC(NC(=O)C1OCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000003484	0	40	-1.0	-46.84	325.40	3.92	-42.92
CCCC(NC(=O)C1OCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000003484	1	40	-1.0	-46.84	325.34	3.92	-42.91
CCCC(NC(=O)C1OCCC2=CC=CC=C21)C1=NNN=N1	REAL000000003484	1	41	0.0	-7.38	321.33	3.62	-3.76
CCCC(NC(=O)C1=CC(C2=CC=C3OCCC3=C2)=NO1)C1=NN=N[N-]1	REAL000000003485	0	43	-1.0	-43.41	369.00	4.48	-38.93
CCCC(NC(=O)C1=CC(C2=CC=C3OCCC3=C2)=NO1)C1=N[N-]N=N1	REAL000000003485	1	43	-1.0	-43.41	368.94	4.48	-38.92
CCCC(NC(=O)C1=CC(C2=CC=C3OCCC3=C2)=NO1)C1=NNN=N1	REAL000000003485	1	44	0.0	-11.26	372.39	4.49	-6.77
CCCC(NC(=O)CC1=CC=CC(OCC(=O)NC)=C1)C1=NN=N[N-]1	REAL000000003486	0	46	-1.0	-55.82	389.00	3.19	-52.63
CCCC(NC(=O)CC1=CC=CC(OCC(=O)NC)=C1)C1=N[N-]N=N1	REAL000000003486	1	46	-1.0	-55.83	388.94	3.19	-52.64
CCCC(NC(=O)CC1=CC=CC(OCC(=O)NC)=C1)C1=NNN=N1	REAL000000003486	1	47	0.0	-19.10	385.21	2.87	-16.23
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC=C1F)C1=NN=N[N-]1	REAL000000003487	0	38	-1.0	-53.92	339.56	1.27	-52.65
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC=C1F)C1=N[N-]N=N1	REAL000000003487	1	38	-1.0	-53.91	339.50	1.26	-52.65
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC=C1F)C1=NNN=N1	REAL000000003487	1	39	0.0	-20.38	342.94	1.28	-19.10
CCCC(NC(=O)CCCC1(C)NC(=O)NC1=O)C1=NN=N[N-]1	REAL000000003488	0	43	-1.0	-51.24	354.53	-1.28	-52.52
CCCC(NC(=O)CCCC1(C)NC(=O)NC1=O)C1=N[N-]N=N1	REAL000000003488	1	43	-1.0	-51.24	354.47	-1.29	-52.53
CCCC(NC(=O)CCCC1(C)NC(=O)NC1=O)C1=NNN=N1	REAL000000003488	1	44	0.0	-17.61	357.78	-1.27	-18.88
CCCC(NC(=O)C1=CC=CC(OC(C)C)=N1)C1=NN=N[N-]1	REAL000000003489	0	41	-1.0	-45.79	345.75	2.35	-43.44
CCCC(NC(=O)C1=CC=CC(OC(C)C)=N1)C1=N[N-]N=N1	REAL000000003489	1	41	-1.0	-45.79	345.69	2.34	-43.45
CCCC(NC(=O)C1=CC=CC(OC(C)C)=N1)C1=NNN=N1	REAL000000003489	1	42	0.0	-7.65	341.94	2.03	-5.63
CCCC(NC(=O)C1=CC=C(OC)C(C2=CC=CC=N2)=C1)C1=NN=N[N-]1	REAL000000003490	0	45	-1.0	-50.40	372.99	5.34	-45.06
CCCC(NC(=O)C1=CC=C(OC)C(C2=CC=CC=N2)=C1)C1=N[N-]N=N1	REAL000000003490	1	45	-1.0	-50.40	372.93	5.34	-45.06
CCCC(NC(=O)C1=CC=C(OC)C(C2=CC=CC=N2)=C1)C1=NNN=N1	REAL000000003490	1	46	0.0	-15.34	376.37	5.36	-9.98
CCCC(NC(=O)C1=CC=CC(C2=CC=CC=N2)=C1C)C1=NN=N[N-]1	REAL000000003491	0	44	-1.0	-53.78	355.75	6.76	-47.02
CCCC(NC(=O)C1=CC=CC(C2=CC=CC=N2)=C1C)C1=N[N-]N=N1	REAL000000003491	1	44	-1.0	-53.79	355.69	6.75	-47.04
CCCC(NC(=O)C1=CC=CC(C2=CC=CC=N2)=C1C)C1=NNN=N1	REAL000000003491	1	45	0.0	-15.53	359.15	6.77	-8.77
CCCC(NC(=O)C1=NC(Cl)=C2C=CC=CC2=C1)C1=NN=N[N-]1	REAL000000003492	0	37	-1.0	-47.50	332.37	4.54	-42.95
CCCC(NC(=O)C1=NC(Cl)=C2C=CC=CC2=C1)C1=N[N-]N=N1	REAL000000003492	1	37	-1.0	-47.50	332.31	4.53	-42.96
CCCC(NC(=O)C1=NC(Cl)=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000003492	1	38	0.0	-10.39	335.74	4.55	-5.84
CCCOC1=CC=C(CC(=O)NC(CCC)C2=NN=N[N-]2)C=C1OCCC	REAL000000003493	0	55	-1.0	-50.22	444.43	7.01	-43.21
CCCOC1=CC=C(CC(=O)NC(CCC)C2=N[N-]N=N2)C=C1OCCC	REAL000000003493	1	55	-1.0	-50.22	444.37	7.00	-43.22
CCCOC1=CC=C(CC(=O)NC(CCC)C2=NNN=N2)C=C1OCCC	REAL000000003493	1	56	0.0	-12.41	440.62	6.68	-5.73
CCCC(NC(=O)CC1CSCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000003494	0	53	-1.0	-47.47	400.15	5.07	-42.40
CCCC(NC(=O)CC1CSCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000003494	1	53	-1.0	-47.47	400.14	5.06	-42.41
CCCC(NC(=O)CC1CSCCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003494	1	54	0.0	-10.34	417.95	5.42	-4.92
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C(C)=C1)C1=NN=N[N-]1	REAL000000003495	0	52	-1.0	-47.60	414.78	4.87	-42.73
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C(C)=C1)C1=N[N-]N=N1	REAL000000003495	1	52	-1.0	-47.59	414.72	4.87	-42.72
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C(C)=C1)C1=NNN=N1	REAL000000003495	1	53	0.0	-12.05	417.17	4.80	-7.25
CCCC(NC(=O)CC1=CC(Br)=CC=C1F)C1=NN=N[N-]1	REAL000000003496	0	35	-1.0	-45.02	325.72	4.98	-40.05
CCCC(NC(=O)CC1=CC(Br)=CC=C1F)C1=N[N-]N=N1	REAL000000003496	1	35	-1.0	-45.03	325.67	4.97	-40.06
CCCC(NC(=O)CC1=CC(Br)=CC=C1F)C1=NNN=N1	REAL000000003496	1	36	0.0	-11.77	329.11	4.98	-6.78
CCCC(NC(=O)CC1=CC(Cl)=CC=C1Br)C1=NN=N[N-]1	REAL000000003497	0	35	-1.0	-43.98	333.92	5.35	-38.63
CCCC(NC(=O)CC1=CC(Cl)=CC=C1Br)C1=N[N-]N=N1	REAL000000003497	1	35	-1.0	-43.98	333.86	5.34	-38.63
CCCC(NC(=O)CC1=CC(Cl)=CC=C1Br)C1=NNN=N1	REAL000000003497	1	36	0.0	-10.56	337.30	5.35	-5.21
CCCC(NC(=O)CC1=CC=CC=C1I)C1=NN=N[N-]1	REAL000000003498	0	35	-1.0	-46.62	322.25	5.22	-41.40
CCCC(NC(=O)CC1=CC=CC=C1I)C1=N[N-]N=N1	REAL000000003498	1	35	-1.0	-46.61	322.20	5.22	-41.39
CCCC(NC(=O)CC1=CC=CC=C1I)C1=NNN=N1	REAL000000003498	1	36	0.0	-10.86	325.63	5.23	-5.63
CCCC(NC(=O)CC1=CC(F)=CC=C1Br)C1=NN=N[N-]1	REAL000000003499	0	35	-1.0	-44.54	323.59	4.90	-39.64
CCCC(NC(=O)CC1=CC(F)=CC=C1Br)C1=N[N-]N=N1	REAL000000003499	1	35	-1.0	-44.54	323.54	4.89	-39.65
CCCC(NC(=O)CC1=CC(F)=CC=C1Br)C1=NNN=N1	REAL000000003499	1	36	0.0	-10.95	326.97	4.91	-6.04
CCCC(NC(=O)C1=C([N+](=O)[O-])C(C(C)C)=NN1)C1=NN=N[N-]1	REAL000000003500	0	40	-1.0	-47.98	350.13	2.88	-45.10
CCCC(NC(=O)C1=C([N+](=O)[O-])C(C(C)C)=NN1)C1=N[N-]N=N1	REAL000000003500	1	40	-1.0	-47.98	350.07	2.87	-45.10
CCCC(NC(=O)C1=C([N+](=O)[O-])C(C(C)C)=NN1)C1=NNN=N1	REAL000000003500	1	41	0.0	-15.50	353.51	2.89	-12.60
CCCC(NC(=O)CSC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL000000003501	0	36	-1.0	-46.54	338.80	5.41	-41.12
CCCC(NC(=O)CSC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL000000003501	1	36	-1.0	-46.53	338.74	5.40	-41.13
CCCC(NC(=O)CSC1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000003501	1	37	0.0	-13.23	342.17	5.42	-7.81
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000003502	0	55	-1.0	-50.03	443.55	5.73	-44.29
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000003502	1	55	-1.0	-50.02	443.50	5.73	-44.30
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C1=CC=CC=C1)C1=NNN=N1	REAL000000003502	1	56	0.0	-15.38	446.93	5.74	-9.63
CCCC(NC(=O)C1CCCC2=C1C=CS2)C1=NN=N[N-]1	REAL000000003503	0	39	-1.0	-44.57	328.01	4.98	-39.59
CCCC(NC(=O)C1CCCC2=C1C=CS2)C1=N[N-]N=N1	REAL000000003503	1	39	-1.0	-44.57	327.95	4.97	-39.60
CCCC(NC(=O)C1CCCC2=C1C=CS2)C1=NNN=N1	REAL000000003503	1	40	0.0	-7.62	325.52	4.66	-2.96
CCCC(NC(=O)C1=CC=C(NC(=O)N(C)C)C=C1Cl)C1=NN=N[N-]1	REAL000000003504	0	44	-1.0	-56.97	374.53	3.94	-53.02
CCCC(NC(=O)C1=CC=C(NC(=O)N(C)C)C=C1Cl)C1=N[N-]N=N1	REAL000000003504	1	44	-1.0	-56.96	374.47	3.94	-53.02
CCCC(NC(=O)C1=CC=C(NC(=O)N(C)C)C=C1Cl)C1=NNN=N1	REAL000000003504	1	45	0.0	-20.71	377.71	3.96	-16.75
CCCC(NC(=O)CC1=CC=CC(OCCOC)=C1)C1=NN=N[N-]1	REAL000000003505	0	46	-1.0	-49.12	383.97	3.83	-45.28
CCCC(NC(=O)CC1=CC=CC(OCCOC)=C1)C1=N[N-]N=N1	REAL000000003505	1	46	-1.0	-49.12	383.91	3.83	-45.29
CCCC(NC(=O)CC1=CC=CC(OCCOC)=C1)C1=NNN=N1	REAL000000003505	1	47	0.0	-11.98	380.15	3.51	-8.47
CCCC(NC(=O)C1=CC=CC=C1N=NC1=CC=C(N(C)C)C=C1)C1=NN=N[N-]1	REAL000000003506	0	52	-1.0	-58.82	427.42	6.69	-52.13
CCCC(NC(=O)C1=CC=CC=C1N=NC1=CC=C(N(C)C)C=C1)C1=N[N-]N=N1	REAL000000003506	1	52	-1.0	-58.82	427.36	6.68	-52.14
CCCC(NC(=O)C1=CC=CC=C1N=NC1=CC=C(N(C)C)C=C1)C1=NNN=N1	REAL000000003506	1	53	0.0	-18.55	429.81	6.68	-11.88
CCCC(NC(=O)CC(O)(C1=CC=C(C)O1)C(F)(F)F)C1=NN=N[N-]1	REAL000000003507	0	42	-1.0	-42.44	364.31	2.88	-39.56
CCCC(NC(=O)CC(O)(C1=CC=C(C)O1)C(F)(F)F)C1=N[N-]N=N1	REAL000000003507	1	42	-1.0	-42.43	364.26	2.87	-39.56
CCCC(NC(=O)CC(O)(C1=CC=C(C)O1)C(F)(F)F)C1=NNN=N1	REAL000000003507	1	43	0.0	-8.30	359.04	2.41	-5.88
CCCCN1N=CC(C(=O)NC(CCC)C2=NN=N[N-]2)=C1C	REAL000000003508	0	44	-1.0	-46.48	359.73	4.29	-42.19
CCCCN1N=CC(C(=O)NC(CCC)C2=N[N-]N=N2)=C1C	REAL000000003508	1	44	-1.0	-46.48	359.68	4.30	-42.19
CCCCN1N=CC(C(=O)NC(CCC)C2=NNN=N2)=C1C	REAL000000003508	1	45	0.0	-11.52	363.11	4.30	-7.22
CCCC(NC(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000003509	0	35	-1.0	-44.62	326.18	5.06	-39.55
CCCC(NC(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000003509	1	35	-1.0	-44.62	326.12	5.05	-39.56
CCCC(NC(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C1=NNN=N1	REAL000000003509	1	36	0.0	-8.77	322.36	4.74	-4.03
CCCC(NC(=O)CC1=CC=CC([N+](=O)[O-])=C1C)C1=NN=N[N-]1	REAL000000003510	0	40	-1.0	-46.88	338.80	5.36	-41.53
CCCC(NC(=O)CC1=CC=CC([N+](=O)[O-])=C1C)C1=N[N-]N=N1	REAL000000003510	1	40	-1.0	-46.88	338.74	5.36	-41.52
CCCC(NC(=O)CC1=CC=CC([N+](=O)[O-])=C1C)C1=NNN=N1	REAL000000003510	1	41	0.0	-16.14	342.18	5.37	-10.78
CCCC(NC(=O)C1=CC=C2N=C(C)C=CC2=C1)C1=NN=N[N-]1	REAL000000003511	0	40	-1.0	-47.73	337.03	4.64	-43.08
CCCC(NC(=O)C1=CC=C2N=C(C)C=CC2=C1)C1=N[N-]N=N1	REAL000000003511	1	40	-1.0	-47.73	336.97	4.63	-43.09
CCCC(NC(=O)C1=CC=C2N=C(C)C=CC2=C1)C1=NNN=N1	REAL000000003511	1	41	0.0	-12.89	340.41	4.65	-8.24
CCCC(NC(=O)COC1=CC=CC(OCC(C)C)=C1)C1=NN=N[N-]1	REAL000000003512	0	49	-1.0	-51.69	400.84	5.95	-45.74
CCCC(NC(=O)COC1=CC=CC(OCC(C)C)=C1)C1=N[N-]N=N1	REAL000000003512	1	49	-1.0	-51.68	400.79	5.95	-45.73
CCCC(NC(=O)COC1=CC=CC(OCC(C)C)=C1)C1=NNN=N1	REAL000000003512	1	50	0.0	-16.39	404.22	5.96	-10.43
CCCC(NC(=O)CCCNC(=O)C1=CC=CN=C1)C1=NN=N[N-]1	REAL000000003513	0	44	-1.0	-49.81	371.94	1.79	-48.02
CCCC(NC(=O)CCCNC(=O)C1=CC=CN=C1)C1=N[N-]N=N1	REAL000000003513	1	44	-1.0	-49.81	371.88	1.79	-48.01
CCCC(NC(=O)CCCNC(=O)C1=CC=CN=C1)C1=NNN=N1	REAL000000003513	1	45	0.0	-15.93	375.32	1.80	-14.13
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000003514	0	37	-1.0	-41.10	341.26	5.31	-35.78
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000003514	1	37	-1.0	-41.09	341.20	5.32	-35.78
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000003514	1	38	0.0	-10.34	344.63	5.32	-5.01
CCCC(NC(=O)C1=CC(Cl)=CC(Br)=C1)C1=NN=N[N-]1	REAL000000003515	0	32	-1.0	-42.22	312.38	4.78	-37.44
CCCC(NC(=O)C1=CC(Cl)=CC(Br)=C1)C1=N[N-]N=N1	REAL000000003515	1	32	-1.0	-42.21	312.32	4.78	-37.44
CCCC(NC(=O)C1=CC(Cl)=CC(Br)=C1)C1=NNN=N1	REAL000000003515	1	33	0.0	-8.78	315.76	4.78	-4.00
CCCC(NC(=O)C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1)C1=NN=N[N-]1	REAL000000003516	0	44	-1.0	-45.44	383.90	7.18	-38.26
CCCC(NC(=O)C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1)C1=N[N-]N=N1	REAL000000003516	1	44	-1.0	-45.43	383.85	7.18	-38.25
CCCC(NC(=O)C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1)C1=NNN=N1	REAL000000003516	1	45	0.0	-12.48	387.28	7.19	-5.29
CCCC(NC(=O)CCCC1=C(C)C=CS1)C1=NN=N[N-]1	REAL000000003517	0	41	-1.0	-46.58	350.65	5.58	-41.01
CCCC(NC(=O)CCCC1=C(C)C=CS1)C1=N[N-]N=N1	REAL000000003517	1	41	-1.0	-46.58	350.59	5.57	-41.01
CCCC(NC(=O)CCCC1=C(C)C=CS1)C1=NNN=N1	REAL000000003517	1	42	0.0	-12.22	354.03	5.59	-6.63
C=CC(=O)N1CCC(C(=O)NC(CCC)C2=NN=N[N-]2)CC1	REAL000000003518	0	43	-1.0	-53.50	346.52	3.22	-50.28
C=CC(=O)N1CCC(C(=O)NC(CCC)C2=N[N-]N=N2)CC1	REAL000000003518	1	43	-1.0	-53.50	346.47	3.21	-50.28
C=CC(=O)N1CCC(C(=O)NC(CCC)C2=NNN=N2)CC1	REAL000000003518	1	44	0.0	-14.85	342.71	2.90	-11.95
CCCC(NC(=O)C1=CC2=C(CCC(C)(C)C2)NC1=O)C1=NN=N[N-]1	REAL000000003519	0	48	-1.0	-54.25	375.05	4.19	-50.07
CCCC(NC(=O)C1=CC2=C(CCC(C)(C)C2)NC1=O)C1=N[N-]N=N1	REAL000000003519	1	48	-1.0	-54.26	374.99	4.18	-50.08
CCCC(NC(=O)C1=CC2=C(CCC(C)(C)C2)NC1=O)C1=NNN=N1	REAL000000003519	1	49	0.0	-14.09	378.57	4.19	-9.89
CCCC(NC(=O)CC1=CC=CC(OC(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000003520	0	39	-1.0	-44.98	344.98	4.10	-40.88
CCCC(NC(=O)CC1=CC=CC(OC(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000003520	1	39	-1.0	-44.98	344.92	4.10	-40.88
CCCC(NC(=O)CC1=CC=CC(OC(F)(F)F)=C1)C1=NNN=N1	REAL000000003520	1	40	0.0	-12.08	348.36	4.11	-7.97
CCCC(NC(=O)C1=CN=C2C(=C1C)C(=O)N(C)C(=O)N2C)C1=NN=N[N-]1	REAL000000003521	0	46	-1.0	-45.67	373.10	4.02	-41.65
CCCC(NC(=O)C1=CN=C2C(=C1C)C(=O)N(C)C(=O)N2C)C1=N[N-]N=N1	REAL000000003521	1	46	-1.0	-45.66	373.04	4.02	-41.64
CCCC(NC(=O)C1=CN=C2C(=C1C)C(=O)N(C)C(=O)N2C)C1=NNN=N1	REAL000000003521	1	47	0.0	-13.97	376.45	4.03	-9.94
CCCC(NC(=O)C(C)CSCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000003522	0	45	-1.0	-44.36	382.49	7.08	-37.28
CCCC(NC(=O)C(C)CSCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000003522	1	45	-1.0	-44.37	382.43	7.08	-37.28
CCCC(NC(=O)C(C)CSCC1=CC=CC=C1)C1=NNN=N1	REAL000000003522	1	46	0.0	-9.89	385.86	7.09	-2.81
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2)N=C1)C1=NN=N[N-]1	REAL000000003533	0	38	-1.0	-42.88	350.05	3.77	-39.11
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2)N=C1)C1=N[N-]N=N1	REAL000000003533	1	38	-1.0	-42.88	350.00	3.76	-39.12
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2)N=C1)C1=NNN=N1	REAL000000003533	1	39	0.0	-9.57	353.43	3.78	-5.80
CCCC(NC(=O)C1=C2C=C(OC)C=CC2=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL000000003534	0	48	-1.0	-51.56	389.64	5.37	-46.18
CCCC(NC(=O)C1=C2C=C(OC)C=CC2=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL000000003534	1	48	-1.0	-51.56	389.58	5.37	-46.20
CCCC(NC(=O)C1=C2C=C(OC)C=CC2=NC(C2CC2)=C1)C1=NNN=N1	REAL000000003534	1	49	0.0	-14.68	393.02	5.39	-9.29
CCCC(NC(=O)CC1=CSC2=NC=CN12)C1=NN=N[N-]1	REAL000000003535	0	35	-1.0	-51.74	315.90	3.94	-47.80
CCCC(NC(=O)CC1=CSC2=NC=CN12)C1=N[N-]N=N1	REAL000000003535	1	35	-1.0	-51.74	315.84	3.93	-47.80
CCCC(NC(=O)CC1=CSC2=NC=CN12)C1=NNN=N1	REAL000000003535	1	36	0.0	-18.49	319.28	3.95	-14.54
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CCO1)C1=NN=N[N-]1	REAL000000003536	0	50	-1.0	-49.50	396.17	3.34	-46.15
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CCO1)C1=N[N-]N=N1	REAL000000003536	1	50	-1.0	-49.49	396.11	3.35	-46.15
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CCO1)C1=NNN=N1	REAL000000003536	1	51	0.0	-13.46	399.54	3.36	-10.11
CCCC(NC(=O)C1=CC=C2NC(=O)N(C)C2=C1)C1=NN=N[N-]1	REAL000000003537	0	39	-1.0	-49.20	332.32	2.52	-46.68
CCCC(NC(=O)C1=CC=C2NC(=O)N(C)C2=C1)C1=N[N-]N=N1	REAL000000003537	1	39	-1.0	-49.19	332.26	2.52	-46.67
CCCC(NC(=O)C1=CC=C2NC(=O)N(C)C2=C1)C1=NNN=N1	REAL000000003537	1	40	0.0	-16.74	335.69	2.53	-14.21
CCCC(NC(=O)C1CCC2=NN=C(C)N2C1)C1=NN=N[N-]1	REAL000000003538	0	41	-1.0	-47.42	334.34	4.33	-43.09
CCCC(NC(=O)C1CCC2=NN=C(C)N2C1)C1=N[N-]N=N1	REAL000000003538	1	41	-1.0	-47.41	334.28	4.32	-43.09
CCCC(NC(=O)C1CCC2=NN=C(C)N2C1)C1=NNN=N1	REAL000000003538	1	42	0.0	-17.58	337.71	4.34	-13.25
CCCC(NC(=O)C=CC1=CC=C(CC(C)C)C=C1)C1=NN=N[N-]1	REAL000000003539	0	48	-1.0	-46.15	390.01	7.51	-38.64
CCCC(NC(=O)C=CC1=CC=C(CC(C)C)C=C1)C1=N[N-]N=N1	REAL000000003539	1	48	-1.0	-46.15	389.95	7.51	-38.63
CCCC(NC(=O)C=CC1=CC=C(CC(C)C)C=C1)C1=NNN=N1	REAL000000003539	1	49	0.0	-10.39	393.39	7.52	-2.86
CCCC(NC(=O)CC1=CC=C(SCC)C=C1)C1=NN=N[N-]1	REAL000000003540	0	42	-1.0	-47.68	360.66	6.20	-41.48
CCCC(NC(=O)CC1=CC=C(SCC)C=C1)C1=N[N-]N=N1	REAL000000003540	1	42	-1.0	-47.67	360.60	6.19	-41.48
CCCC(NC(=O)CC1=CC=C(SCC)C=C1)C1=NNN=N1	REAL000000003540	1	43	0.0	-12.56	364.04	6.21	-6.35
CCCC(NC(=O)CC1=CC=C(Br)C(F)=C1)C1=NN=N[N-]1	REAL000000003541	0	35	-1.0	-44.80	325.99	4.99	-39.81
CCCC(NC(=O)CC1=CC=C(Br)C(F)=C1)C1=N[N-]N=N1	REAL000000003541	1	35	-1.0	-44.80	325.93	4.98	-39.83
CCCC(NC(=O)CC1=CC=C(Br)C(F)=C1)C1=NNN=N1	REAL000000003541	1	36	0.0	-12.92	329.37	5.00	-7.93
CCCC(NC(=O)C1=CC=CC(F)=C1I)C1=NN=N[N-]1	REAL000000003542	0	32	-1.0	-46.78	301.62	4.77	-42.01
CCCC(NC(=O)C1=CC=CC(F)=C1I)C1=N[N-]N=N1	REAL000000003542	1	32	-1.0	-46.78	301.57	4.76	-42.01
CCCC(NC(=O)C1=CC=CC(F)=C1I)C1=NNN=N1	REAL000000003542	1	33	0.0	-9.23	297.80	4.45	-4.78
CCCC(NC(=O)CC1CN(C(=O)OC(C)(C)C)CCO1)C1=NN=N[N-]1	REAL000000003543	0	53	-1.0	-51.58	416.08	3.86	-47.71
CCCC(NC(=O)CC1CN(C(=O)OC(C)(C)C)CCO1)C1=N[N-]N=N1	REAL000000003543	1	53	-1.0	-51.57	416.02	3.85	-47.72
CCCC(NC(=O)CC1CN(C(=O)OC(C)(C)C)CCO1)C1=NNN=N1	REAL000000003543	1	54	0.0	-15.29	419.43	3.87	-11.42
CCCC(NC(=O)C1=CC=C(C2=CC=CO2)S1)C1=NN=N[N-]1	REAL000000003544	0	36	-1.0	-46.40	329.09	4.55	-41.85
CCCC(NC(=O)C1=CC=C(C2=CC=CO2)S1)C1=N[N-]N=N1	REAL000000003544	1	36	-1.0	-46.40	329.03	4.54	-41.86
CCCC(NC(=O)C1=CC=C(C2=CC=CO2)S1)C1=NNN=N1	REAL000000003544	1	37	0.0	-11.31	332.47	4.56	-6.75
CCCC(NC(=O)CCCOC1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL000000003545	0	45	-1.0	-51.39	376.41	3.39	-48.01
CCCC(NC(=O)CCCOC1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL000000003545	1	45	-1.0	-51.38	376.36	3.39	-48.00
CCCC(NC(=O)CCCOC1=CC=C2OCOC2=C1)C1=NNN=N1	REAL000000003545	1	46	0.0	-17.10	379.79	3.40	-13.70
CCCC(NC(=O)CCCOC1=CC=C(C(C)(C)C)C=C1C)C1=NN=N[N-]1	REAL000000003546	0	57	-1.0	-48.40	446.59	7.82	-40.58
CCCC(NC(=O)CCCOC1=CC=C(C(C)(C)C)C=C1C)C1=N[N-]N=N1	REAL000000003546	1	57	-1.0	-48.39	446.54	7.82	-40.57
CCCC(NC(=O)CCCOC1=CC=C(C(C)(C)C)C=C1C)C1=NNN=N1	REAL000000003546	1	58	0.0	-13.25	449.97	7.83	-5.42
CCCC(NC(=O)CCCOC1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL000000003547	0	49	-1.0	-49.64	395.90	6.65	-42.99
CCCC(NC(=O)CCCOC1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL000000003547	1	49	-1.0	-49.64	395.85	6.65	-42.99
CCCC(NC(=O)CCCOC1=CC=C2CCCC2=C1)C1=NNN=N1	REAL000000003547	1	50	0.0	-14.34	399.26	6.66	-7.69
CCCC(NC(=O)C=C1CCC(C(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000003548	0	51	-1.0	-44.66	378.37	6.49	-38.17
CCCC(NC(=O)C=C1CCC(C(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000003548	1	51	-1.0	-44.67	378.31	6.48	-38.19
CCCC(NC(=O)C=C1CCC(C(C)(C)C)CC1)C1=NNN=N1	REAL000000003548	1	52	0.0	-8.66	381.75	6.50	-2.17
CCCC(NC(=O)C1=CC(C2=CC=CC(OC)=C2)=NN1)C1=NN=N[N-]1	REAL000000003549	0	43	-1.0	-46.31	365.33	2.98	-43.33
CCCC(NC(=O)C1=CC(C2=CC=CC(OC)=C2)=NN1)C1=N[N-]N=N1	REAL000000003549	1	43	-1.0	-46.30	365.27	2.98	-43.32
CCCC(NC(=O)C1=CC(C2=CC=CC(OC)=C2)=NN1)C1=NNN=N1	REAL000000003549	1	44	0.0	-11.08	361.52	2.67	-8.41
CCCC(NC(=O)CCC1=CC=C(CC(C)C)C=C1)C1=NN=N[N-]1	REAL000000003550	0	50	-1.0	-44.96	401.53	7.79	-37.17
CCCC(NC(=O)CCC1=CC=C(CC(C)C)C=C1)C1=N[N-]N=N1	REAL000000003550	1	50	-1.0	-44.96	401.47	7.79	-37.17
CCCC(NC(=O)CCC1=CC=C(CC(C)C)C=C1)C1=NNN=N1	REAL000000003550	1	51	0.0	-7.07	397.77	7.48	0.41
CCCC(NC(=O)C1=CC(C)=NC(C2=CC=C(Cl)C=C2)=N1)C1=NN=N[N-]1	REAL000000003551	0	43	-1.0	-43.77	384.52	6.10	-37.67
CCCC(NC(=O)C1=CC(C)=NC(C2=CC=C(Cl)C=C2)=N1)C1=N[N-]N=N1	REAL000000003551	1	43	-1.0	-43.77	384.46	6.09	-37.68
CCCC(NC(=O)C1=CC(C)=NC(C2=CC=C(Cl)C=C2)=N1)C1=NNN=N1	REAL000000003551	1	44	0.0	-9.64	387.90	6.11	-3.53
CCCC(NC(=O)CC(C)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL000000003552	0	41	-1.0	-44.65	345.26	5.65	-38.99
CCCC(NC(=O)CC(C)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL000000003552	1	41	-1.0	-44.65	345.20	5.65	-38.99
CCCC(NC(=O)CC(C)C1=CC=C(F)C=C1F)C1=NNN=N1	REAL000000003552	1	42	0.0	-9.42	341.41	5.34	-4.08
CCCC(NC(=O)CSCC1=CSC=N1)C1=NN=N[N-]1	REAL000000003553	0	35	-1.0	-50.88	328.04	2.67	-48.21
CCCC(NC(=O)CSCC1=CSC=N1)C1=N[N-]N=N1	REAL000000003553	1	35	-1.0	-50.88	327.98	2.67	-48.21
CCCC(NC(=O)CSCC1=CSC=N1)C1=NNN=N1	REAL000000003553	1	36	0.0	-14.92	331.42	2.68	-12.24
CCCC(NC(=O)C1=C(C)NC2=CC=C(Cl)C=C21)C1=NN=N[N-]1	REAL000000003554	0	39	-1.0	-47.39	348.35	4.65	-42.74
CCCC(NC(=O)C1=C(C)NC2=CC=C(Cl)C=C21)C1=N[N-]N=N1	REAL000000003554	1	39	-1.0	-47.40	348.29	4.64	-42.76
CCCC(NC(=O)C1=C(C)NC2=CC=C(Cl)C=C21)C1=NNN=N1	REAL000000003554	1	40	0.0	-14.63	351.73	4.66	-9.97
CCCC(NC(=O)C1=CC(NS(C)(=O)=O)=CC=C1O)C1=NN=N[N-]1	REAL000000003555	0	41	-1.0	-53.57	356.57	-1.08	-54.65
CCCC(NC(=O)C1=CC(NS(C)(=O)=O)=CC=C1O)C1=N[N-]N=N1	REAL000000003555	1	41	-1.0	-53.56	356.51	-1.09	-54.65
CCCC(NC(=O)C1=CC(NS(C)(=O)=O)=CC=C1O)C1=NNN=N1	REAL000000003555	1	42	0.0	-18.28	359.94	-1.07	-19.35
CCCC(NC(=O)C1=CC2=C(C=C1O)CCCC2)C1=NN=N[N-]1	REAL000000003556	0	43	-1.0	-49.44	345.91	4.68	-44.77
CCCC(NC(=O)C1=CC2=C(C=C1O)CCCC2)C1=N[N-]N=N1	REAL000000003556	1	43	-1.0	-49.45	345.85	4.67	-44.78
CCCC(NC(=O)C1=CC2=C(C=C1O)CCCC2)C1=NNN=N1	REAL000000003556	1	44	0.0	-12.36	349.29	4.69	-7.67
CCCC(NC(=O)C=CC(=O)NC1=CC2=CNN=C2C=C1)C1=NN=N[N-]1	REAL000000003557	0	43	-1.0	-51.94	372.31	1.92	-50.02
CCCC(NC(=O)C=CC(=O)NC1=CC2=CNN=C2C=C1)C1=N[N-]N=N1	REAL000000003557	1	43	-1.0	-51.93	372.25	1.91	-50.02
CCCC(NC(=O)C=CC(=O)NC1=CC2=CNN=C2C=C1)C1=NNN=N1	REAL000000003557	1	44	0.0	-19.37	375.69	1.93	-17.44
CCCC(NC(=O)C1=CC(Cl)=NC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000003558	0	34	-1.0	-40.78	326.13	3.33	-37.45
CCCC(NC(=O)C1=CC(Cl)=NC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000003558	1	34	-1.0	-40.77	326.07	3.32	-37.45
CCCC(NC(=O)C1=CC(Cl)=NC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000003558	1	35	0.0	-10.76	329.51	3.34	-7.41
CCCC(NC(=O)CCC(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000003559	0	44	-1.0	-46.84	356.16	6.27	-40.57
CCCC(NC(=O)CCC(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000003559	1	44	-1.0	-46.84	356.10	6.27	-40.58
CCCC(NC(=O)CCC(C)C1=CC=CC=C1)C1=NNN=N1	REAL000000003559	1	45	0.0	-11.76	359.53	6.27	-5.49
CCCC(NC(=O)C1=CC=C(CCC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000003560	0	41	-1.0	-47.43	356.87	6.23	-41.20
CCCC(NC(=O)C1=CC=C(CCC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000003560	1	41	-1.0	-47.41	356.81	6.23	-41.18
CCCC(NC(=O)C1=CC=C(CCC(F)(F)F)C=C1)C1=NNN=N1	REAL000000003560	1	42	0.0	-12.34	360.24	6.24	-6.10
CCCC(NC(=O)CN(C(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL000000003561	0	49	-1.0	-55.39	387.32	4.73	-50.66
CCCC(NC(=O)CN(C(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL000000003561	1	49	-1.0	-55.39	387.26	4.73	-50.66
CCCC(NC(=O)CN(C(=O)OC(C)(C)C)C1CC1)C1=NNN=N1	REAL000000003561	1	50	0.0	-15.75	390.70	4.74	-11.00
CCCC(NC(=O)CC(CC)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000003562	0	48	-1.0	-49.46	383.89	5.48	-43.97
CCCC(NC(=O)CC(CC)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000003562	1	48	-1.0	-49.46	383.83	5.48	-43.98
CCCC(NC(=O)CC(CC)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000003562	1	49	0.0	-12.78	387.26	5.49	-7.29
CCCC(NC(=O)C1=CC=CC2=C1OC(=O)N2)C1=NN=N[N-]1	REAL000000003563	0	35	-1.0	-60.00	305.64	1.61	-58.38
CCCC(NC(=O)C1=CC=CC2=C1OC(=O)N2)C1=N[N-]N=N1	REAL000000003563	1	35	-1.0	-60.00	305.58	1.61	-58.38
CCCC(NC(=O)C1=CC=CC2=C1OC(=O)N2)C1=NNN=N1	REAL000000003563	1	36	0.0	-23.09	309.02	1.62	-21.47
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C(Cl)=C2)=NS1)C1=NN=N[N-]1	REAL000000003564	0	38	-1.0	-42.33	371.08	5.85	-36.49
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C(Cl)=C2)=NS1)C1=N[N-]N=N1	REAL000000003564	1	38	-1.0	-42.33	371.03	5.85	-36.48
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C(Cl)=C2)=NS1)C1=NNN=N1	REAL000000003564	1	39	0.0	-10.99	374.46	5.85	-5.14
CCCC(NC(=O)CC1CCC(C(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000003565	0	53	-1.0	-45.23	387.60	6.63	-38.60
CCCC(NC(=O)CC1CCC(C(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000003565	1	53	-1.0	-45.23	387.55	6.64	-38.59
CCCC(NC(=O)CC1CCC(C(C)(C)C)CC1)C1=NNN=N1	REAL000000003565	1	54	0.0	-9.17	383.96	6.41	-2.76
CCCC(NC(=O)COC1=CC(C)=CC=C1F)C1=NN=N[N-]1	REAL000000003566	0	39	-1.0	-53.21	335.53	4.96	-48.25
CCCC(NC(=O)COC1=CC(C)=CC=C1F)C1=N[N-]N=N1	REAL000000003566	1	39	-1.0	-53.21	335.47	4.95	-48.26
CCCC(NC(=O)COC1=CC(C)=CC=C1F)C1=NNN=N1	REAL000000003566	1	40	0.0	-13.96	331.72	4.54	-9.42
CCCC(NC(=O)COC1=CC(C)=C(Cl)C(C)=C1)C1=NN=N[N-]1	REAL000000003567	0	42	-1.0	-47.75	362.06	5.91	-41.84
CCCC(NC(=O)COC1=CC(C)=C(Cl)C(C)=C1)C1=N[N-]N=N1	REAL000000003567	1	42	-1.0	-47.75	362.01	5.91	-41.84
CCCC(NC(=O)COC1=CC(C)=C(Cl)C(C)=C1)C1=NNN=N1	REAL000000003567	1	43	0.0	-13.92	365.43	5.92	-8.01
CCCC(NC(=O)COC1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL000000003568	0	46	-1.0	-49.62	370.62	6.71	-42.90
CCCC(NC(=O)COC1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL000000003568	1	46	-1.0	-49.62	370.57	6.72	-42.90
CCCC(NC(=O)COC1=CC=C2CCCCC2=C1)C1=NNN=N1	REAL000000003568	1	47	0.0	-14.31	374.02	6.73	-7.59
CCCC(NC(=O)CCCOC1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL000000003569	0	52	-1.0	-49.27	413.08	7.24	-42.03
CCCC(NC(=O)CCCOC1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL000000003569	1	52	-1.0	-49.27	413.02	7.23	-42.04
CCCC(NC(=O)CCCOC1=CC=C2CCCCC2=C1)C1=NNN=N1	REAL000000003569	1	53	0.0	-10.82	409.26	6.91	-3.91
CCCC(NC(=O)C1=CC=C(N(C)C)C=C1F)C1=NN=N[N-]1	REAL000000003570	0	40	-1.0	-52.46	329.70	4.13	-48.33
CCCC(NC(=O)C1=CC=C(N(C)C)C=C1F)C1=N[N-]N=N1	REAL000000003570	1	40	-1.0	-52.46	329.64	4.12	-48.35
CCCC(NC(=O)C1=CC=C(N(C)C)C=C1F)C1=NNN=N1	REAL000000003570	1	41	0.0	-14.96	333.08	4.14	-10.82
CCCC(NC(=O)CC1CSCCS1)C1=NN=N[N-]1	REAL000000003571	0	37	-1.0	-48.18	321.37	4.18	-43.99
CCCC(NC(=O)CC1CSCCS1)C1=N[N-]N=N1	REAL000000003571	1	37	-1.0	-48.17	321.31	4.19	-43.98
CCCC(NC(=O)CC1CSCCS1)C1=NNN=N1	REAL000000003571	1	38	0.0	-11.47	324.75	4.19	-7.27
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC(C)=C1C)C1=NN=N[N-]1	REAL000000003572	0	43	-1.0	-51.77	361.44	-0.18	-51.95
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC(C)=C1C)C1=N[N-]N=N1	REAL000000003572	1	43	-1.0	-51.77	361.38	-0.18	-51.95
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC(C)=C1C)C1=NNN=N1	REAL000000003572	1	44	0.0	-14.84	364.87	-0.16	-15.00
CCCC(NC(=O)C1=NC=C(C(N)=O)C=C1Cl)C1=NN=N[N-]1	REAL000000003573	0	35	-1.0	-49.26	318.79	-0.78	-50.04
CCCC(NC(=O)C1=NC=C(C(N)=O)C=C1Cl)C1=N[N-]N=N1	REAL000000003573	1	35	-1.0	-49.26	318.73	-0.78	-50.04
CCCC(NC(=O)C1=NC=C(C(N)=O)C=C1Cl)C1=NNN=N1	REAL000000003573	1	36	0.0	-15.10	322.16	-0.77	-15.87
CCCC(NC(=O)C1=C(C)C2=CC(C)=CC=C2N1)C1=NN=N[N-]1	REAL000000003574	0	42	-1.0	-45.94	347.09	4.93	-41.01
CCCC(NC(=O)C1=C(C)C2=CC(C)=CC=C2N1)C1=N[N-]N=N1	REAL000000003574	1	42	-1.0	-45.95	347.03	4.92	-41.03
CCCC(NC(=O)C1=C(C)C2=CC(C)=CC=C2N1)C1=NNN=N1	REAL000000003574	1	43	0.0	-8.10	343.29	4.61	-3.50
CCCC(NC(=O)C1=CC(C2=CC=C(OC)C=C2)=NN1)C1=NN=N[N-]1	REAL000000003575	0	43	-1.0	-45.17	365.25	2.99	-42.19
CCCC(NC(=O)C1=CC(C2=CC=C(OC)C=C2)=NN1)C1=N[N-]N=N1	REAL000000003575	1	43	-1.0	-45.17	365.19	2.99	-42.18
CCCC(NC(=O)C1=CC(C2=CC=C(OC)C=C2)=NN1)C1=NNN=N1	REAL000000003575	1	44	0.0	-12.87	368.63	3.00	-9.87
CCCC(NC(=O)CC1=CNC2=CC(Br)=CC=C12)C1=NN=N[N-]1	REAL000000003576	0	39	-1.0	-46.77	352.16	5.00	-41.78
CCCC(NC(=O)CC1=CNC2=CC(Br)=CC=C12)C1=N[N-]N=N1	REAL000000003576	1	39	-1.0	-46.78	352.10	5.00	-41.78
CCCC(NC(=O)CC1=CNC2=CC(Br)=CC=C12)C1=NNN=N1	REAL000000003576	1	40	0.0	-13.52	355.54	5.01	-8.52
CCCC(NC(=O)C1=NOC(CN2C=C(Br)C=N2)=C1)C1=NN=N[N-]1	REAL000000003577	0	38	-1.0	-51.49	359.06	3.36	-48.13
CCCC(NC(=O)C1=NOC(CN2C=C(Br)C=N2)=C1)C1=N[N-]N=N1	REAL000000003577	1	38	-1.0	-51.49	359.01	3.36	-48.13
CCCC(NC(=O)C1=NOC(CN2C=C(Br)C=N2)=C1)C1=NNN=N1	REAL000000003577	1	39	0.0	-14.42	362.44	3.37	-11.05
CCCC(NC(=O)CC1=CSC2=CC=C(Cl)C=C12)C1=NN=N[N-]1	REAL000000003578	0	38	-1.0	-45.91	352.12	6.17	-39.74
CCCC(NC(=O)CC1=CSC2=CC=C(Cl)C=C12)C1=N[N-]N=N1	REAL000000003578	1	38	-1.0	-45.90	352.06	6.17	-39.73
CCCC(NC(=O)CC1=CSC2=CC=C(Cl)C=C12)C1=NNN=N1	REAL000000003578	1	39	0.0	-12.02	355.48	6.18	-5.84
CCCC(NC(=O)CC1=C(C)N(C2=CN=CC3=NN=NN32)N=C1C)C1=NN=N[N-]1	REAL000000003579	0	48	-1.0	-51.39	412.97	3.61	-47.78
CCCC(NC(=O)CC1=C(C)N(C2=CN=CC3=NN=NN32)N=C1C)C1=N[N-]N=N1	REAL000000003579	1	48	-1.0	-51.38	412.91	3.60	-47.79
CCCC(NC(=O)CC1=C(C)N(C2=CN=CC3=NN=NN32)N=C1C)C1=NNN=N1	REAL000000003579	1	49	0.0	-19.15	408.17	3.29	-15.86
CCCC(NC(=O)C(C)S(=O)(=O)C1CCOCC1)C1=NN=N[N-]1	REAL000000003580	0	45	-1.0	-65.40	368.01	0.37	-65.03
CCCC(NC(=O)C(C)S(=O)(=O)C1CCOCC1)C1=N[N-]N=N1	REAL000000003580	1	45	-1.0	-65.40	367.95	0.37	-65.03
CCCC(NC(=O)C(C)S(=O)(=O)C1CCOCC1)C1=NNN=N1	REAL000000003580	1	46	0.0	-26.75	372.49	0.10	-26.65
CCCC(NC(=O)C1=C(C)N(CCC(C)C)N=C1)C1=NN=N[N-]1	REAL000000003581	0	47	-1.0	-46.28	377.29	4.80	-41.48
CCCC(NC(=O)C1=C(C)N(CCC(C)C)N=C1)C1=N[N-]N=N1	REAL000000003581	1	47	-1.0	-46.29	377.23	4.80	-41.48
CCCC(NC(=O)C1=C(C)N(CCC(C)C)N=C1)C1=NNN=N1	REAL000000003581	1	48	0.0	-8.66	373.50	4.49	-4.17
CCCC(NC(=O)C1=CC(F)=C(F)C=C1Br)C1=NN=N[N-]1	REAL000000003582	0	32	-1.0	-41.13	303.29	4.40	-36.72
CCCC(NC(=O)C1=CC(F)=C(F)C=C1Br)C1=N[N-]N=N1	REAL000000003582	1	32	-1.0	-41.12	303.23	4.40	-36.71
CCCC(NC(=O)C1=CC(F)=C(F)C=C1Br)C1=NNN=N1	REAL000000003582	1	33	0.0	-6.40	299.50	4.09	-2.31
CCCC(NC(=O)CCC1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL000000003583	0	38	-1.0	-43.57	332.24	5.23	-38.34
CCCC(NC(=O)CCC1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL000000003583	1	38	-1.0	-43.56	332.18	5.22	-38.34
CCCC(NC(=O)CCC1=CC=C(F)C=C1F)C1=NNN=N1	REAL000000003583	1	39	0.0	-11.70	335.62	5.24	-6.46
CCCC(NC(=O)CCOC1=CC(C)=CC=C1C(C)C)C1=NN=N[N-]1	REAL000000003584	0	51	-1.0	-45.81	408.87	6.67	-39.14
CCCC(NC(=O)CCOC1=CC(C)=CC=C1C(C)C)C1=N[N-]N=N1	REAL000000003584	1	51	-1.0	-45.82	408.81	6.67	-39.15
CCCC(NC(=O)CCOC1=CC(C)=CC=C1C(C)C)C1=NNN=N1	REAL000000003584	1	52	0.0	-11.00	412.25	6.68	-4.33
CCCC(NC(=O)CCOC1=CC=CC=C1C(C)C)C1=NN=N[N-]1	REAL000000003585	0	48	-1.0	-45.52	387.46	5.99	-39.53
CCCC(NC(=O)CCOC1=CC=CC=C1C(C)C)C1=N[N-]N=N1	REAL000000003585	1	48	-1.0	-45.52	387.40	5.99	-39.52
CCCC(NC(=O)CCOC1=CC=CC=C1C(C)C)C1=NNN=N1	REAL000000003585	1	49	0.0	-10.88	390.84	6.00	-4.87
CCCC(NC(=O)C1=C2CCCCC2=NN1C)C1=NN=N[N-]1	REAL000000003586	0	42	-1.0	-46.87	343.05	3.70	-43.17
CCCC(NC(=O)C1=C2CCCCC2=NN1C)C1=N[N-]N=N1	REAL000000003586	1	42	-1.0	-46.88	342.99	3.69	-43.18
CCCC(NC(=O)C1=C2CCCCC2=NN1C)C1=NNN=N1	REAL000000003586	1	43	0.0	-11.97	346.42	3.71	-8.26
CCCC(NC(=O)C1=CSC(C2=CC=NC=C2)=N1)C1=NN=N[N-]1	REAL000000003587	0	37	-1.0	-47.12	336.91	2.68	-44.44
CCCC(NC(=O)C1=CSC(C2=CC=NC=C2)=N1)C1=N[N-]N=N1	REAL000000003587	1	37	-1.0	-47.12	336.86	2.68	-44.44
CCCC(NC(=O)C1=CSC(C2=CC=NC=C2)=N1)C1=NNN=N1	REAL000000003587	1	38	0.0	-11.27	340.29	2.69	-8.58
CCCC(NC(=O)C1=CC(NC(=O)N(C)C)=CC=C1Cl)C1=NN=N[N-]1	REAL000000003588	0	44	-1.0	-54.36	374.47	3.95	-50.41
CCCC(NC(=O)C1=CC(NC(=O)N(C)C)=CC=C1Cl)C1=N[N-]N=N1	REAL000000003588	1	44	-1.0	-54.36	374.41	3.95	-50.41
CCCC(NC(=O)C1=CC(NC(=O)N(C)C)=CC=C1Cl)C1=NNN=N1	REAL000000003588	1	45	0.0	-16.55	377.85	3.96	-12.59
CCCC(NC(=O)C1=CN=C(NC(=O)OC(C)(C)C)C=N1)C1=NN=N[N-]1	REAL000000003589	0	47	-1.0	-50.82	389.58	1.79	-49.03
CCCC(NC(=O)C1=CN=C(NC(=O)OC(C)(C)C)C=N1)C1=N[N-]N=N1	REAL000000003589	1	47	-1.0	-50.82	389.52	1.79	-49.03
CCCC(NC(=O)C1=CN=C(NC(=O)OC(C)(C)C)C=N1)C1=NNN=N1	REAL000000003589	1	48	0.0	-15.52	392.96	1.80	-13.72
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000003590	0	46	-1.0	-47.17	372.88	2.93	-44.24
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000003590	1	46	-1.0	-47.16	372.82	2.92	-44.24
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000003590	1	47	0.0	-14.48	376.26	2.94	-11.54
CCCC(NC(=O)C1=CC=C(OC)C(OC2CCCC2)=C1)C1=NN=N[N-]1	REAL000000003591	0	50	-1.0	-48.98	397.57	5.79	-43.20
CCCC(NC(=O)C1=CC=C(OC)C(OC2CCCC2)=C1)C1=N[N-]N=N1	REAL000000003591	1	50	-1.0	-48.98	397.51	5.78	-43.20
CCCC(NC(=O)C1=CC=C(OC)C(OC2CCCC2)=C1)C1=NNN=N1	REAL000000003591	1	51	0.0	-10.19	394.71	5.47	-4.72
CCCC(NC(=O)CC1=NC(C2=CC=C(F)C=C2)=CS1)C1=NN=N[N-]1	REAL000000003592	0	41	-1.0	-47.17	368.48	5.13	-42.03
CCCC(NC(=O)CC1=NC(C2=CC=C(F)C=C2)=CS1)C1=N[N-]N=N1	REAL000000003592	1	41	-1.0	-47.16	368.42	5.13	-42.03
CCCC(NC(=O)CC1=NC(C2=CC=C(F)C=C2)=CS1)C1=NNN=N1	REAL000000003592	1	42	0.0	-15.22	371.86	5.14	-10.08
CCCC(NC(=O)C1=CC2=NNN=C2C=C1OC)C1=NN=N[N-]1	REAL000000003593	0	38	-1.0	-48.55	321.17	1.50	-47.05
CCCC(NC(=O)C1=CC2=NNN=C2C=C1OC)C1=N[N-]N=N1	REAL000000003593	1	38	-1.0	-48.55	321.11	1.50	-47.05
CCCC(NC(=O)CSC1=CC=C(Cl)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000003594	0	38	-1.0	-52.29	357.84	5.83	-46.46
CCCC(NC(=O)CSC1=CC=C(Cl)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000003594	1	38	-1.0	-52.29	357.78	5.82	-46.47
CCCC(NC(=O)CSC1=CC=C(Cl)C=C1[N+](=O)[O-])C1=NNN=N1	REAL000000003594	1	39	0.0	-19.18	361.21	5.84	-13.34
CCCC(NC(=O)CC1=CC=C2CC(=O)NC2=C1)C1=NN=N[N-]1	REAL000000003595	0	40	-1.0	-50.32	340.94	2.76	-47.55
CCCC(NC(=O)CC1=CC=C2CC(=O)NC2=C1)C1=N[N-]N=N1	REAL000000003595	1	40	-1.0	-50.31	340.89	2.76	-47.55
CCCC(NC(=O)CC1=CC=C2CC(=O)NC2=C1)C1=NNN=N1	REAL000000003595	1	41	0.0	-15.54	344.32	2.78	-12.76
CCCC(NC(=O)C1=C(C)N=C(NC(=O)OC(C)(C)C)S1)C1=NN=N[N-]1	REAL000000003596	0	48	-1.0	-48.59	402.59	3.19	-45.40
CCCC(NC(=O)C1=C(C)N=C(NC(=O)OC(C)(C)C)S1)C1=N[N-]N=N1	REAL000000003596	1	48	-1.0	-48.59	402.53	3.19	-45.40
CCCC(NC(=O)C1=C(C)N=C(NC(=O)OC(C)(C)C)S1)C1=NNN=N1	REAL000000003596	1	49	0.0	-14.92	405.97	3.20	-11.72
CCCC(NC(=O)C1CCN2C(=CN=C2C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000003597	0	49	-1.0	-48.98	393.49	7.00	-41.98
CCCC(NC(=O)C1CCN2C(=CN=C2C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000003597	1	49	-1.0	-48.97	393.43	7.00	-41.97
CCCC(NC(=O)C1CCN2C(=CN=C2C2=CC=CC=C2)C1)C1=NNN=N1	REAL000000003597	1	50	0.0	-15.33	396.87	7.01	-8.32
CCCC(NC(=O)C1=CN=C(OCC2CC2)C(Cl)=C1)C1=NN=N[N-]1	REAL000000003598	0	42	-1.0	-43.14	371.05	3.46	-39.67
CCCC(NC(=O)C1=CN=C(OCC2CC2)C(Cl)=C1)C1=N[N-]N=N1	REAL000000003598	1	42	-1.0	-43.13	370.99	3.46	-39.67
CCCC(NC(=O)C1=CN=C(OCC2CC2)C(Cl)=C1)C1=NNN=N1	REAL000000003598	1	43	0.0	-10.79	374.43	3.47	-7.32
CCCC(NC(=O)C1=CSC(CC2=CC=CC(F)=C2)=N1)C1=NN=N[N-]1	REAL000000003599	0	41	-1.0	-47.12	371.35	5.19	-41.93
CCCC(NC(=O)C1=CSC(CC2=CC=CC(F)=C2)=N1)C1=N[N-]N=N1	REAL000000003599	1	41	-1.0	-47.12	371.30	5.19	-41.93
CCCC(NC(=O)C1=CSC(CC2=CC=CC(F)=C2)=N1)C1=NNN=N1	REAL000000003599	1	42	0.0	-12.74	374.73	5.20	-7.54
CCCC(NC(=O)C(F)(F)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000003600	0	38	-1.0	-43.68	329.98	5.09	-38.59
CCCC(NC(=O)C(F)(F)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000003600	1	38	-1.0	-43.68	329.93	5.09	-38.59
CCCC(NC(=O)C(F)(F)C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000003600	1	39	0.0	-6.89	326.17	4.78	-2.12
CCCC(NC(=O)C1=CN=C2C(=C1)N=NN2C)C1=NN=N[N-]1	REAL000000003601	0	36	-1.0	-46.02	313.36	1.29	-44.73
CCCC(NC(=O)C1=CN=C2C(=C1)N=NN2C)C1=N[N-]N=N1	REAL000000003601	1	36	-1.0	-46.01	313.30	1.29	-44.73
CCCC(NC(=O)C1=CN=C2C(=C1)N=NN2C)C1=NNN=N1	REAL000000003601	1	37	0.0	-14.57	316.74	1.30	-13.27
CCCC(NC(=O)C1=NN(C2=CC=CC(C#N)=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000003602	0	43	-1.0	-53.46	376.79	5.65	-47.82
CCCC(NC(=O)C1=NN(C2=CC=CC(C#N)=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000003602	1	43	-1.0	-53.46	376.73	5.65	-47.82
CCCC(NC(=O)C1=NN(C2=CC=CC(C#N)=C2)C(C)=C1)C1=NNN=N1	REAL000000003602	1	44	0.0	-14.58	372.98	5.33	-9.25
CCCC(NC(=O)C1=CC=C(C)C(C)=C1Cl)C1=NN=N[N-]1	REAL000000003603	0	38	-1.0	-48.69	322.56	5.30	-43.39
CCCC(NC(=O)C1=CC=C(C)C(C)=C1Cl)C1=N[N-]N=N1	REAL000000003603	1	38	-1.0	-48.69	322.51	5.29	-43.40
CCCC(NC(=O)C1=CC=C(C)C(C)=C1Cl)C1=NNN=N1	REAL000000003603	1	39	0.0	-12.19	325.94	5.31	-6.88
CCCC(NC(=O)C1=CC2=NSN=C2C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000003604	0	35	-1.0	-47.49	325.68	2.75	-44.74
CCCC(NC(=O)C1=CC2=NSN=C2C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000003604	1	35	-1.0	-47.48	325.62	2.75	-44.73
CCCC(NC(=O)C1=CC2=NSN=C2C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000003604	1	36	0.0	-16.93	329.06	2.76	-14.17
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1)C1=NN=N[N-]1	REAL000000003605	0	42	-1.0	-47.77	363.48	5.81	-41.95
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1)C1=N[N-]N=N1	REAL000000003605	1	42	-1.0	-47.76	363.42	5.81	-41.95
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1)C1=NNN=N1	REAL000000003605	1	43	0.0	-11.26	366.85	5.82	-5.44
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1CC)C1=NN=N[N-]1	REAL000000003606	0	44	-1.0	-51.75	365.20	5.73	-46.02
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1CC)C1=N[N-]N=N1	REAL000000003606	1	44	-1.0	-51.74	365.14	5.73	-46.01
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1CC)C1=NNN=N1	REAL000000003606	1	45	0.0	-18.74	368.58	5.74	-13.00
CCCC(NC(=O)CC(=O)NCC(F)(F)F)C1=NN=N[N-]1	REAL000000003607	0	35	-1.0	-53.73	315.86	1.69	-52.04
CCCC(NC(=O)CC(=O)NCC(F)(F)F)C1=N[N-]N=N1	REAL000000003607	1	35	-1.0	-53.72	315.81	1.68	-52.04
CCCC(NC(=O)CC(=O)NCC(F)(F)F)C1=NNN=N1	REAL000000003607	1	36	0.0	-15.00	312.07	1.24	-13.76
CCCC(NC(=O)C1=CC=C(C2=CC=CS2)S1)C1=NN=N[N-]1	REAL000000003608	0	36	-1.0	-45.62	337.69	5.51	-40.10
CCCC(NC(=O)C1=CC=C(C2=CC=CS2)S1)C1=N[N-]N=N1	REAL000000003608	1	36	-1.0	-45.62	337.63	5.51	-40.10
CCCC(NC(=O)C1=CC=C(C2=CC=CS2)S1)C1=NNN=N1	REAL000000003608	1	37	0.0	-7.40	333.86	5.20	-2.20
CCCC(NC(=O)C1=CC=C(SC2CC2)C=C1)C1=NN=N[N-]1	REAL000000003609	0	40	-1.0	-46.03	345.49	6.27	-39.76
CCCC(NC(=O)C1=CC=C(SC2CC2)C=C1)C1=N[N-]N=N1	REAL000000003609	1	40	-1.0	-46.03	345.43	6.27	-39.77
CCCC(NC(=O)C1=CC=C(SC2CC2)C=C1)C1=NNN=N1	REAL000000003609	1	41	0.0	-10.99	348.87	6.29	-4.71
CCCC(NC(=O)CCC1=CC(F)=CC=C1Br)C1=NN=N[N-]1	REAL000000003610	0	38	-1.0	-44.15	343.99	5.67	-38.48
CCCC(NC(=O)CCC1=CC(F)=CC=C1Br)C1=N[N-]N=N1	REAL000000003610	1	38	-1.0	-44.15	343.93	5.66	-38.48
CCCC(NC(=O)CCC1=CC(F)=CC=C1Br)C1=NNN=N1	REAL000000003610	1	39	0.0	-10.02	347.37	5.68	-4.34
CCCC(NC(=O)C1=CC2=NNN=C2C=C1F)C1=NN=N[N-]1	REAL000000003611	0	34	-1.0	-47.62	298.64	1.00	-46.62
CCCC(NC(=O)C1=CC2=NNN=C2C=C1F)C1=N[N-]N=N1	REAL000000003611	1	34	-1.0	-47.62	298.58	1.01	-46.62
CCCC(NC(=O)C1=CN=C(OCC(C)C)C(Cl)=C1)C1=NN=N[N-]1	REAL000000003612	0	44	-1.0	-43.07	380.97	3.36	-39.71
CCCC(NC(=O)C1=CN=C(OCC(C)C)C(Cl)=C1)C1=N[N-]N=N1	REAL000000003612	1	44	-1.0	-43.06	380.92	3.35	-39.71
CCCC(NC(=O)C1=CN=C(OCC(C)C)C(Cl)=C1)C1=NNN=N1	REAL000000003612	1	45	0.0	-7.51	377.17	3.04	-4.47
CCCC(NC(=O)C1=C(C)OC(C2=CC=CC(C(F)(F)F)=C2)=N1)C1=NN=N[N-]1	REAL000000003613	0	44	-1.0	-44.72	392.79	3.94	-40.78
CCCC(NC(=O)C1=C(C)OC(C2=CC=CC(C(F)(F)F)=C2)=N1)C1=N[N-]N=N1	REAL000000003613	1	44	-1.0	-44.72	392.73	3.94	-40.79
CCCC(NC(=O)C1=C(C)OC(C2=CC=CC(C(F)(F)F)=C2)=N1)C1=NNN=N1	REAL000000003613	1	45	0.0	-10.43	394.60	3.93	-6.50
CCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000003614	0	39	-2.0	-87.79	364.43	1.04	-86.74
CCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000003614	1	39	-2.0	-87.79	364.38	1.04	-86.75
CCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1=NNN=N1	REAL000000003614	1	40	-1.0	-36.75	360.61	0.72	-36.03
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(F)C(C)=C2)C1)C1=NN=N[N-]1	REAL000000003615	0	46	-1.0	-47.45	379.89	5.31	-42.14
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(F)C(C)=C2)C1)C1=N[N-]N=N1	REAL000000003615	1	46	-1.0	-47.44	379.84	5.32	-42.13
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(F)C(C)=C2)C1)C1=NNN=N1	REAL000000003615	1	47	0.0	-18.21	383.67	5.34	-12.87
CCCC(NC(=O)C1=CC(C)=NN1C(CC)CC)C1=NN=N[N-]1	REAL000000003616	0	47	-1.0	-44.51	376.89	5.05	-39.46
CCCC(NC(=O)C1=CC(C)=NN1C(CC)CC)C1=N[N-]N=N1	REAL000000003616	1	47	-1.0	-44.50	376.83	5.05	-39.45
CCCC(NC(=O)C1=CC(C)=NN1C(CC)CC)C1=NNN=N1	REAL000000003616	1	48	0.0	-10.57	380.97	5.06	-5.51
CCCC(NC(=O)CC1=C(C)C=C(C)C=C1C)C1=NN=N[N-]1	REAL000000003617	0	44	-1.0	-47.10	354.48	6.03	-41.07
CCCC(NC(=O)CC1=C(C)C=C(C)C=C1C)C1=N[N-]N=N1	REAL000000003617	1	44	-1.0	-47.09	354.42	6.03	-41.06
CCCC(NC(=O)CC1=C(C)C=C(C)C=C1C)C1=NNN=N1	REAL000000003617	1	45	0.0	-11.73	357.85	6.04	-5.69
CCCC(NC(=O)C(C)CCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000003618	0	47	-1.0	-46.00	379.54	7.22	-38.78
CCCC(NC(=O)C(C)CCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000003618	1	47	-1.0	-46.00	379.48	7.21	-38.79
CCCC(NC(=O)C(C)CCCC1=CC=CC=C1)C1=NNN=N1	REAL000000003618	1	48	0.0	-7.60	375.76	6.90	-0.70
CCCC(NC(=O)C1=CC(OC(F)F)=CC(OC(F)F)=C1)C1=NN=N[N-]1	REAL000000003619	0	40	-1.0	-49.16	352.80	2.79	-46.36
CCCC(NC(=O)C1=CC(OC(F)F)=CC(OC(F)F)=C1)C1=N[N-]N=N1	REAL000000003619	1	40	-1.0	-49.15	352.74	2.78	-46.37
CCCC(NC(=O)C1=CC(OC(F)F)=CC(OC(F)F)=C1)C1=NNN=N1	REAL000000003619	1	41	0.0	-15.29	356.18	2.80	-12.49
CCCC(NC(=O)C1CCC2=C(Cl)C=CC=C21)C1=NN=N[N-]1	REAL000000003620	0	39	-1.0	-46.89	336.21	5.91	-40.98
CCCC(NC(=O)C1CCC2=C(Cl)C=CC=C21)C1=N[N-]N=N1	REAL000000003620	1	39	-1.0	-46.89	336.15	5.91	-40.98
CCCC(NC(=O)C1CCC2=C(Cl)C=CC=C21)C1=NNN=N1	REAL000000003620	1	40	0.0	-10.75	339.59	5.92	-4.83
CCCC(NC(=O)C(C)CC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000003621	0	44	-1.0	-45.47	357.16	6.27	-39.20
CCCC(NC(=O)C(C)CC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000003621	1	44	-1.0	-45.46	357.10	6.27	-39.20
CCCC(NC(=O)C(C)CC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000003621	1	45	0.0	-9.81	360.49	6.27	-3.54
CCCC(NC(=O)C1=CC2=C(N(C)C)N=CN=C2N1C)C1=NN=N[N-]1	REAL000000003622	0	45	-1.0	-45.12	366.42	4.46	-40.66
CCCC(NC(=O)C1=CC2=C(N(C)C)N=CN=C2N1C)C1=N[N-]N=N1	REAL000000003622	1	45	-1.0	-45.12	366.36	4.47	-40.66
CCCC(NC(=O)CCC1=CC=C2NC=CC2=C1)C1=NN=N[N-]1	REAL000000003623	0	42	-1.0	-49.27	351.74	5.15	-44.12
CCCC(NC(=O)CCC1=CC=C2NC=CC2=C1)C1=N[N-]N=N1	REAL000000003623	1	42	-1.0	-49.27	351.69	5.14	-44.13
CCCC(NC(=O)CCC1=CC=C2NC=CC2=C1)C1=NNN=N1	REAL000000003623	1	43	0.0	-13.13	355.12	5.16	-7.97
CCCC(NC(=O)C(CC)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000003624	0	45	-1.0	-46.20	363.96	4.85	-41.35
CCCC(NC(=O)C(CC)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000003624	1	45	-1.0	-46.19	363.90	4.85	-41.34
CCCC(NC(=O)C(CC)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000003624	1	46	0.0	-12.13	367.34	4.86	-7.27
CCCC(NC(=O)CC(C)C(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000003625	0	43	-1.0	-42.32	372.79	5.98	-36.34
CCCC(NC(=O)CC(C)C(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000003625	1	43	-1.0	-42.31	372.73	5.97	-36.34
CCCC(NC(=O)CC(C)C(=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000003625	1	44	0.0	-10.08	376.17	5.98	-4.10
CCCC(NC(=O)CCCC1=CC=C2C=CC=CC2=C1)C1=NN=N[N-]1	REAL000000003626	0	47	-1.0	-49.36	387.99	8.14	-41.22
CCCC(NC(=O)CCCC1=CC=C2C=CC=CC2=C1)C1=N[N-]N=N1	REAL000000003626	1	47	-1.0	-49.35	387.94	8.13	-41.22
CCCC(NC(=O)CCCC1=CC=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000003626	1	48	0.0	-13.74	391.37	8.15	-5.59
CCCC(NC(=O)C1=CC(=O)NC(C(C)C)=C1)C1=NN=N[N-]1	REAL000000003627	0	41	-1.0	-50.99	340.01	2.59	-48.40
CCCC(NC(=O)C1=CC(=O)NC(C(C)C)=C1)C1=N[N-]N=N1	REAL000000003627	1	41	-1.0	-50.99	339.95	2.58	-48.41
CCCC(NC(=O)C1=CC(=O)NC(C(C)C)=C1)C1=NNN=N1	REAL000000003627	1	42	0.0	-17.94	343.39	2.60	-15.34
CCCC(NC(=O)C1=NN(C(C)CC)C(C)=C1)C1=NN=N[N-]1	REAL000000003628	0	44	-1.0	-50.32	359.73	4.12	-46.21
CCCC(NC(=O)C1=NN(C(C)CC)C(C)=C1)C1=N[N-]N=N1	REAL000000003628	1	44	-1.0	-50.32	359.68	4.12	-46.20
CCCC(NC(=O)C1=NN(C(C)CC)C(C)=C1)C1=NNN=N1	REAL000000003628	1	45	0.0	-11.97	363.11	4.13	-7.84
CCCC(NC(=O)C1=CN=C2SC(C)=C(C)N2C1=O)C1=NN=N[N-]1	REAL000000003629	0	40	-1.0	-53.23	343.16	4.25	-48.98
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000003630	0	42	-1.0	-48.25	372.74	5.76	-42.49
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000003630	1	42	-1.0	-48.25	372.68	5.76	-42.49
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2)C(C)=C1)C1=NNN=N1	REAL000000003630	1	43	0.0	-9.40	368.94	5.44	-3.96
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(F)C(F)=C2)S1)C1=NN=N[N-]1	REAL000000003631	0	41	-1.0	-43.66	370.91	5.29	-38.37
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(F)C(F)=C2)S1)C1=N[N-]N=N1	REAL000000003631	1	41	-1.0	-43.66	370.85	5.29	-38.37
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(F)C(F)=C2)S1)C1=NNN=N1	REAL000000003631	1	42	0.0	-10.43	374.29	5.30	-5.13
CCCC(NC(=O)C1=CC=C(C2=CN=CC=N2)C=N1)C1=NN=N[N-]1	REAL000000003632	0	39	-1.0	-48.49	338.23	1.92	-46.57
CCCC(NC(=O)C1=CC=C(C2=CN=CC=N2)C=N1)C1=N[N-]N=N1	REAL000000003632	1	39	-1.0	-48.49	338.18	1.92	-46.57
CCCC(NC(=O)C1=CC=C(C2=CN=CC=N2)C=N1)C1=NNN=N1	REAL000000003632	1	40	0.0	-10.49	334.43	1.61	-8.89
CCCC(NC(=O)C1(F)CCN(C(=O)OCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000003633	0	50	-1.0	-44.75	421.82	5.67	-39.08
CCCC(NC(=O)C1(F)CCN(C(=O)OCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000003633	1	50	-1.0	-44.74	421.77	5.66	-39.08
CCCC(NC(=O)C1(F)CCN(C(=O)OCC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000003633	1	51	0.0	-12.01	425.52	5.66	-6.35
CCCC(NC(=O)C1=CN=C2OCC(=O)NC2=C1)C1=NN=N[N-]1	REAL000000003634	0	37	-1.0	-46.31	320.10	-2.22	-48.53
CCCC(NC(=O)C1=CN=C2OCC(=O)NC2=C1)C1=N[N-]N=N1	REAL000000003634	1	37	-1.0	-46.31	320.04	-2.22	-48.53
CCCC(NC(=O)C1=CN=C2OCC(=O)NC2=C1)C1=NNN=N1	REAL000000003634	1	38	0.0	-11.55	316.28	-2.53	-14.08
CCCC(NC(=O)C1=CC=C(Cl)C(C#N)=C1)C1=NN=N[N-]1	REAL000000003635	0	33	-1.0	-45.83	310.54	4.46	-41.37
CCCC(NC(=O)C1=CC=C(Cl)C(C#N)=C1)C1=N[N-]N=N1	REAL000000003635	1	33	-1.0	-45.84	310.48	4.45	-41.38
CCCC(NC(=O)C1=CC=C(Cl)C(C#N)=C1)C1=NNN=N1	REAL000000003635	1	34	0.0	-10.77	306.74	4.14	-6.63
CCCC(NC(=O)CC(O)C1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000003636	0	39	-1.0	-46.11	360.73	3.86	-42.25
CCCC(NC(=O)CC(O)C1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000003636	1	39	-1.0	-46.10	360.67	3.85	-42.25
CCCC(NC(=O)CC(O)C1=CC(Cl)=CC(Cl)=C1)C1=NNN=N1	REAL000000003636	1	40	0.0	-12.60	364.11	3.87	-8.73
CCCC(NC(=O)CC(O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000003637	0	39	-1.0	-47.00	344.00	3.35	-43.64
CCCC(NC(=O)CC(O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000003637	1	39	-1.0	-46.99	343.94	3.34	-43.65
CCCC(NC(=O)CC(O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000003637	1	40	0.0	-13.30	347.37	3.36	-9.94
CCCC(NC(=O)C1=CC=NC(SC(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000003638	0	44	-1.0	-46.72	365.52	5.97	-40.75
CCCC(NC(=O)C1=CC=NC(SC(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000003638	1	44	-1.0	-46.72	365.46	5.96	-40.75
CCCC(NC(=O)C1=CC=NC(SC(C)(C)C)=C1)C1=NNN=N1	REAL000000003638	1	45	0.0	-12.47	368.90	5.98	-6.48
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C1=NN=N[N-]1	REAL000000003639	0	35	-1.0	-44.39	325.58	5.17	-39.22
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C1=N[N-]N=N1	REAL000000003639	1	35	-1.0	-44.38	325.52	5.16	-39.22
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C1=NNN=N1	REAL000000003639	1	36	0.0	-7.99	321.78	4.84	-3.15
CCCC(NC(=O)C1=CC=C(CC)C(CC)=C1)C1=NN=N[N-]1	REAL000000003640	0	44	-1.0	-47.52	351.32	6.21	-41.31
CCCC(NC(=O)C1=CC=C(CC)C(CC)=C1)C1=N[N-]N=N1	REAL000000003640	1	44	-1.0	-47.51	351.26	6.21	-41.30
CCCC(NC(=O)C1=CC=C(CC)C(CC)=C1)C1=NNN=N1	REAL000000003640	1	45	0.0	-10.80	354.78	6.23	-4.57
CCCC(NC(=O)C(C)C1=C(C)N(CC(F)(F)F)N=C1C)C1=NN=N[N-]1	REAL000000003641	0	47	-1.0	-51.76	389.45	4.71	-47.05
CCCC(NC(=O)C(C)C1=C(C)N(CC(F)(F)F)N=C1C)C1=N[N-]N=N1	REAL000000003641	1	47	-1.0	-51.76	389.38	4.70	-47.06
CCCC(NC(=O)C(C)C1=C(C)N(CC(F)(F)F)N=C1C)C1=NNN=N1	REAL000000003641	1	48	0.0	-15.97	392.82	4.72	-11.24
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1)C1=NN=N[N-]1	REAL000000003642	0	43	-1.0	-48.01	379.78	7.00	-41.02
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1)C1=N[N-]N=N1	REAL000000003642	1	43	-1.0	-48.01	379.73	7.00	-41.02
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1)C1=NNN=N1	REAL000000003642	1	44	0.0	-12.61	383.16	7.00	-5.60
CCCC(NC(=O)C1=COC(C2=CC=CC=C2Cl)=N1)C1=NN=N[N-]1	REAL000000003643	0	38	-1.0	-47.93	346.91	3.26	-44.67
CCCC(NC(=O)C1=COC(C2=CC=CC=C2Cl)=N1)C1=N[N-]N=N1	REAL000000003643	1	38	-1.0	-47.93	346.85	3.25	-44.67
CCCC(NC(=O)C1=COC(C2=CC=CC=C2Cl)=N1)C1=NNN=N1	REAL000000003643	1	39	0.0	-11.35	350.28	3.27	-8.08
CCCC(NC(=O)C1=C(C)C2=C(N)N=C(C)N=C2S1)C1=NN=N[N-]1	REAL000000003644	0	41	-1.0	-45.48	348.91	2.63	-42.85
CCCC(NC(=O)C1=C(C)C2=C(N)N=C(C)N=C2S1)C1=N[N-]N=N1	REAL000000003644	1	41	-1.0	-45.48	348.85	2.63	-42.85
CCCC(NC(=O)C1=C(C)C2=C(N)N=C(C)N=C2S1)C1=NNN=N1	REAL000000003644	1	42	0.0	-11.57	352.36	2.64	-8.92
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CN1C)C1=NN=N[N-]1	REAL000000003645	0	44	-1.0	-49.30	377.71	1.02	-48.28
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CN1C)C1=N[N-]N=N1	REAL000000003645	1	44	-1.0	-49.31	377.65	1.01	-48.30
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CN1C)C1=NNN=N1	REAL000000003645	1	45	0.0	-16.24	380.80	1.02	-15.22
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1OCC(=O)N(C)C)C1=NN=N[N-]1	REAL000000003646	0	49	-1.0	-55.61	414.54	5.31	-50.29
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1OCC(=O)N(C)C)C1=N[N-]N=N1	REAL000000003646	1	49	-1.0	-55.61	414.48	5.31	-50.30
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1OCC(=O)N(C)C)C1=NNN=N1	REAL000000003646	1	50	0.0	-17.59	417.52	5.33	-12.26
CCCC(NC(=O)C1CC(=O)N(C2=C(F)C=CC=C2F)C1)C1=NN=N[N-]1	REAL000000003647	0	43	-1.0	-50.59	374.08	5.09	-45.49
CCCC(NC(=O)C1CC(=O)N(C2=C(F)C=CC=C2F)C1)C1=N[N-]N=N1	REAL000000003647	1	43	-1.0	-50.58	374.03	5.10	-45.48
CCCC(NC(=O)C1CC(=O)N(C2=C(F)C=CC=C2F)C1)C1=NNN=N1	REAL000000003647	1	44	0.0	-18.98	377.46	5.10	-13.88
CCCC(NC(=O)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL000000003648	0	37	-1.0	-41.55	336.80	5.10	-36.46
CCCC(NC(=O)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL000000003648	1	37	-1.0	-41.55	336.74	5.09	-36.46
CCCC(NC(=O)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000003648	1	38	0.0	-10.93	340.19	5.11	-5.83
CCCC(NC(=O)CC1=CC=CC=C1SC)C1=NN=N[N-]1	REAL000000003649	0	39	-1.0	-46.69	336.44	5.24	-41.45
CCCC(NC(=O)CC1=CC=CC=C1SC)C1=N[N-]N=N1	REAL000000003649	1	39	-1.0	-46.70	336.38	5.23	-41.46
CCCC(NC(=O)CC1=CC=CC=C1SC)C1=NNN=N1	REAL000000003649	1	40	0.0	-9.11	332.66	4.91	-4.20
CCCC(NC(=O)C1=CC=NC(OCCOC)=C1)C1=NN=N[N-]1	REAL000000003650	0	42	-1.0	-49.20	357.22	0.58	-48.62
CCCC(NC(=O)C1=CC=NC(OCCOC)=C1)C1=N[N-]N=N1	REAL000000003650	1	42	-1.0	-49.20	357.16	0.58	-48.63
CCCC(NC(=O)C1=CC=NC(OCCOC)=C1)C1=NNN=N1	REAL000000003650	1	43	0.0	-15.19	360.59	0.58	-14.61
CCCC(NC(=O)C1=CC=C(C(C)=O)C=C1F)C1=NN=N[N-]1	REAL000000003651	0	37	-1.0	-54.78	320.11	4.16	-50.62
CCCC(NC(=O)C1=CC=C(C(C)=O)C=C1F)C1=N[N-]N=N1	REAL000000003651	1	37	-1.0	-54.78	320.05	4.15	-50.63
CCCC(NC(=O)C1=CC=C(C(C)=O)C=C1F)C1=NNN=N1	REAL000000003651	1	38	0.0	-20.42	323.48	4.17	-16.25
CCCC(NC(=O)CCC(=O)C1=CC(OC)=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL000000003652	0	52	-1.0	-46.77	432.35	4.15	-42.62
CCCC(NC(=O)CCC(=O)C1=CC(OC)=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL000000003652	1	52	-1.0	-46.76	432.29	4.15	-42.61
CCCC(NC(=O)CCC(=O)C1=CC(OC)=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000003652	1	53	0.0	-12.73	428.54	3.84	-8.89
CCCC(NC(=O)C1=CC=CC(C2=NN=C(COC)O2)=C1)C1=NN=N[N-]1	REAL000000003653	0	44	-1.0	-56.94	380.91	-0.65	-57.59
CCCC(NC(=O)C1=CC=CC(C2=NN=C(COC)O2)=C1)C1=N[N-]N=N1	REAL000000003653	1	44	-1.0	-56.94	380.85	-0.66	-57.60
CCCC(NC(=O)C1=CC=CC(C2=NN=C(COC)O2)=C1)C1=NNN=N1	REAL000000003653	1	45	0.0	-20.70	384.29	-0.64	-21.34
CCCC(NC(=O)C1=CN=C2SC=C(C)N2C1=O)C1=NN=N[N-]1	REAL000000003654	0	37	-1.0	-54.29	324.37	3.54	-50.75
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)C1=NN=N[N-]1	REAL000000003655	0	39	-1.0	-48.77	369.76	6.03	-42.74
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)C1=N[N-]N=N1	REAL000000003655	1	39	-1.0	-48.77	369.71	6.03	-42.74
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)C1=NNN=N1	REAL000000003655	1	40	0.0	-12.05	373.12	6.04	-6.01
CCCC(NC(=O)CC(C)CC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000003656	0	44	-1.0	-46.64	371.25	6.81	-39.84
CCCC(NC(=O)CC(C)CC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000003656	1	44	-1.0	-46.65	371.19	6.81	-39.84
CCCC(NC(=O)CC(C)CC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000003656	1	45	0.0	-11.83	374.63	6.82	-5.01
CCCC(NC(=O)C(NS(=O)(=O)C1=CC=C(C)C=C1)C(C)O)C1=NN=N[N-]1	REAL000000003657	0	50	-1.0	-51.24	414.03	-0.72	-51.97
CCCC(NC(=O)C(NS(=O)(=O)C1=CC=C(C)C=C1)C(C)O)C1=N[N-]N=N1	REAL000000003657	1	50	-1.0	-51.24	413.97	-0.72	-51.96
CCCC(NC(=O)C(NS(=O)(=O)C1=CC=C(C)C=C1)C(C)O)C1=NNN=N1	REAL000000003657	1	51	0.0	-17.65	418.09	-0.83	-18.48
CCCC(NC(=O)C(O)C(O)C1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL000000003658	0	42	-1.0	-48.32	369.38	-0.32	-48.64
CCCC(NC(=O)C(O)C(O)C1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL000000003658	1	42	-1.0	-48.31	369.32	-0.33	-48.64
CCCC(NC(=O)C(O)C(O)C1=NC2=CC=CC=C2S1)C1=NNN=N1	REAL000000003658	1	43	0.0	-13.50	372.75	-0.31	-13.81
CCCC(NC(=O)C=CC1=CC=C(O)C(O)=C1)C1=NN=N[N-]1	REAL000000003659	0	38	-1.0	-48.42	330.61	-0.06	-48.49
CCCC(NC(=O)C=CC1=CC=C(O)C(O)=C1)C1=N[N-]N=N1	REAL000000003659	1	38	-1.0	-48.42	330.56	-0.06	-48.49
CCCC(NC(=O)C=CC1=CC=C(O)C(O)=C1)C1=NNN=N1	REAL000000003659	1	39	0.0	-14.95	333.99	-0.06	-15.01
CCCC(NC(=O)C1=CC=CC(C2=NN=CO2)=C1)C1=NN=N[N-]1	REAL000000003660	0	37	-1.0	-56.53	325.26	-0.45	-56.98
CCCC(NC(=O)C1=CC=CC(C2=NN=CO2)=C1)C1=N[N-]N=N1	REAL000000003660	1	37	-1.0	-56.53	325.20	-0.45	-56.98
CCCC(NC(=O)C1=CC=CC(C2=NN=CO2)=C1)C1=NNN=N1	REAL000000003660	1	38	0.0	-20.34	328.64	-0.44	-20.78
CCCC(NC(=O)C1=CN=C2C(=C1)N=CN2C)C1=NN=N[N-]1	REAL000000003661	0	37	-1.0	-52.24	317.73	4.15	-48.09
CCCC(NC(=O)C1=CN=C2C(=C1)N=CN2C)C1=N[N-]N=N1	REAL000000003661	1	37	-1.0	-52.24	317.68	4.15	-48.09
CCCC(NC(=O)C1=CN=C2C(=C1)N=CN2C)C1=NNN=N1	REAL000000003661	1	38	0.0	-17.14	321.11	4.16	-12.98
CCCC(NC(=O)C1=CC(C)=C(OC)C(C)=C1)C1=NN=N[N-]1	REAL000000003662	0	42	-1.0	-46.60	347.85	4.57	-42.03
CCCC(NC(=O)C1=CC(C)=C(OC)C(C)=C1)C1=N[N-]N=N1	REAL000000003662	1	42	-1.0	-46.60	347.79	4.56	-42.03
CCCC(NC(=O)C1=CC(C)=C(OC)C(C)=C1)C1=NNN=N1	REAL000000003662	1	43	0.0	-11.18	351.22	4.58	-6.60
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1O)C1=NN=N[N-]1	REAL000000003663	0	36	-1.0	-46.21	321.86	3.17	-43.04
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1O)C1=N[N-]N=N1	REAL000000003663	1	36	-1.0	-46.22	321.80	3.17	-43.05
CCCC(NC(=O)C1=CC=C(C2=CC=CC(C(C)C)=C2)O1)C1=NN=N[N-]1	REAL000000003664	0	48	-1.0	-46.31	398.22	7.31	-39.00
CCCC(NC(=O)C1=CC=C(C2=CC=CC(C(C)C)=C2)O1)C1=N[N-]N=N1	REAL000000003664	1	48	-1.0	-46.31	398.17	7.32	-39.00
CCCC(NC(=O)C1=CC=C(C2=CC=CC(C(C)C)=C2)O1)C1=NNN=N1	REAL000000003664	1	49	0.0	-9.96	401.60	7.32	-2.64
CCCC(NC(=O)C1=CC=C(F)C(Cl)=C1F)C1=NN=N[N-]1	REAL000000003665	0	32	-1.0	-48.17	300.91	4.29	-43.88
CCCC(NC(=O)C1=CC=C(F)C(Cl)=C1F)C1=N[N-]N=N1	REAL000000003665	1	32	-1.0	-48.16	300.85	4.28	-43.88
CCCC(NC(=O)C1=CC=C(F)C(Cl)=C1F)C1=NNN=N1	REAL000000003665	1	33	0.0	-15.07	304.29	4.29	-10.78
CCCC(NC(=O)C1=C(Br)N=CS1)C1=NN=N[N-]1	REAL000000003666	0	28	-1.0	-46.29	279.43	1.31	-44.98
CCCC(NC(=O)C1=C(Br)N=CS1)C1=N[N-]N=N1	REAL000000003666	1	28	-1.0	-46.28	279.37	1.30	-44.98
CCCC(NC(=O)C1=C(Br)N=CS1)C1=NNN=N1	REAL000000003666	1	29	0.0	-12.63	282.81	1.32	-11.31
CCCC(NC(=O)C(C)N1N=NN=C1C(C)(C)C)C1=NN=N[N-]1	REAL000000003667	0	45	-1.0	-56.75	360.66	2.64	-54.11
CCCC(NC(=O)C(C)N1N=NN=C1C(C)(C)C)C1=N[N-]N=N1	REAL000000003667	1	45	-1.0	-56.73	360.60	2.64	-54.09
CCCC(NC(=O)C(C)N1N=NN=C1C(C)(C)C)C1=NNN=N1	REAL000000003667	1	46	0.0	-21.95	364.04	2.65	-19.30
CCCC(NC(=O)C1=CSC(NC2CC2)=N1)C1=NN=N[N-]1	REAL000000003668	0	37	-1.0	-46.02	330.29	2.38	-43.65
CCCC(NC(=O)C1=CSC(NC2CC2)=N1)C1=N[N-]N=N1	REAL000000003668	1	37	-1.0	-46.02	330.24	2.37	-43.65
CCCC(NC(=O)C1=CSC(NC2CC2)=N1)C1=NNN=N1	REAL000000003668	1	38	0.0	-7.49	326.49	2.05	-5.44
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C(Cl)=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000003669	0	42	-1.0	-46.92	387.91	6.23	-40.69
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C(Cl)=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000003669	1	42	-1.0	-46.93	387.85	6.22	-40.70
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C(Cl)=C2)C(C)=C1)C1=NNN=N1	REAL000000003669	1	43	0.0	-12.40	389.74	6.21	-6.19
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000003670	0	42	-1.0	-48.51	362.41	5.32	-43.19
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000003670	1	42	-1.0	-48.51	362.36	5.31	-43.20
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(C)=C1)C1=NNN=N1	REAL000000003670	1	43	0.0	-11.77	365.79	5.33	-6.44
CCCC(NC(=O)C1=NN(C2=CC=C(C)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000003671	0	45	-1.0	-50.03	377.40	5.93	-44.11
CCCC(NC(=O)C1=NN(C2=CC=C(C)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000003671	1	45	-1.0	-50.04	377.35	5.92	-44.12
CCCC(NC(=O)C1=NN(C2=CC=C(C)C=C2)C(C)=C1)C1=NNN=N1	REAL000000003671	1	46	0.0	-12.18	380.79	5.94	-6.25
CCCC(NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000003672	0	42	-1.0	-50.23	372.73	5.76	-44.46
CCCC(NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000003672	1	42	-1.0	-50.23	372.67	5.76	-44.47
CCCC(NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C(C)=C1)C1=NNN=N1	REAL000000003672	1	43	0.0	-12.72	376.11	5.77	-6.95
CCCC(NC(=O)C1=NN(C2=CC(C)=CC(C)=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000003673	0	48	-1.0	-50.65	397.28	6.56	-44.09
CCCC(NC(=O)C1=NN(C2=CC(C)=CC(C)=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000003673	1	48	-1.0	-50.65	397.22	6.56	-44.09
CCCC(NC(=O)C1=NN(C2=CC(C)=CC(C)=C2)C(C)=C1)C1=NNN=N1	REAL000000003673	1	49	0.0	-12.26	400.65	6.57	-5.70
CCCC(NC(=O)C1=CC=CC(C2=CC=CC=C2OCC)=C1)C1=NN=N[N-]1	REAL000000003674	0	49	-1.0	-50.06	404.37	7.65	-42.40
CCCC(NC(=O)C1=CC=CC(C2=CC=CC=C2OCC)=C1)C1=N[N-]N=N1	REAL000000003674	1	49	-1.0	-50.06	404.31	7.65	-42.40
CCCC(NC(=O)C1=CC=CC(C2=CC=CC=C2OCC)=C1)C1=NNN=N1	REAL000000003674	1	50	0.0	-9.88	400.55	7.34	-2.54
CCCC(NC(=O)C1=CC=NC(OC2CCCCC2)=C1)C1=NN=N[N-]1	REAL000000003675	0	48	-1.0	-47.19	385.35	4.16	-43.03
CCCC(NC(=O)C1=CC=NC(OC2CCCCC2)=C1)C1=N[N-]N=N1	REAL000000003675	1	48	-1.0	-47.18	385.29	4.15	-43.03
CCCC(NC(=O)C1=CC=NC(OC2CCCCC2)=C1)C1=NNN=N1	REAL000000003675	1	49	0.0	-13.01	388.74	4.17	-8.84
CCCC(NC(=O)C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1)C1=NN=N[N-]1	REAL000000003676	0	43	-1.0	-45.35	391.52	8.25	-37.10
CCCC(NC(=O)C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1)C1=N[N-]N=N1	REAL000000003676	1	43	-1.0	-45.35	391.46	8.25	-37.10
CCCC(NC(=O)C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1)C1=NNN=N1	REAL000000003676	1	44	0.0	-10.81	394.94	8.26	-2.55
CCCC(NC(=O)C1=NN(C(C)C2CC2)C(C)=C1)C1=NN=N[N-]1	REAL000000003677	0	45	-1.0	-50.79	373.01	5.04	-45.75
CCCC(NC(=O)C1=NN(C(C)C2CC2)C(C)=C1)C1=N[N-]N=N1	REAL000000003677	1	45	-1.0	-50.79	372.95	5.03	-45.76
CCCC(NC(=O)C1=NN(C(C)C2CC2)C(C)=C1)C1=NNN=N1	REAL000000003677	1	46	0.0	-12.06	376.38	5.05	-7.01
CCCC(NC(=O)CC1=CC=CC(NC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000003678	0	52	-1.0	-48.85	420.79	4.57	-44.28
CCCC(NC(=O)CC1=CC=CC(NC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000003678	1	52	-1.0	-48.83	420.73	4.56	-44.28
CCCC(NC(=O)CC1=CC=CC(NC(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000003678	1	53	0.0	-12.23	417.01	4.24	-7.99
CCCC(NC(=O)C1=CC=C(C(=O)OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000003679	0	47	-1.0	-46.18	383.99	6.35	-39.83
CCCC(NC(=O)C1=CC=C(C(=O)OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000003679	1	47	-1.0	-46.17	383.93	6.34	-39.83
CCCC(NC(=O)C1=CC=C(C(=O)OC(C)(C)C)C=C1)C1=NNN=N1	REAL000000003679	1	48	0.0	-12.74	387.37	6.36	-6.38
CCCC(NC(=O)C1=CN=C2SC(C)=CN2C1=O)C1=NN=N[N-]1	REAL000000003680	0	37	-1.0	-54.50	329.95	3.75	-50.75
CCCC(NC(=O)C1=CC(OCC(F)F)=CC=N1)C1=NN=N[N-]1	REAL000000003681	0	38	-1.0	-54.89	336.17	2.48	-52.42
CCCC(NC(=O)C1=CC(OCC(F)F)=CC=N1)C1=N[N-]N=N1	REAL000000003681	1	38	-1.0	-54.90	336.11	2.47	-52.43
CCCC(NC(=O)C1=CC(OCC(F)F)=CC=N1)C1=NNN=N1	REAL000000003681	1	39	0.0	-17.29	339.54	2.49	-14.81
CCCC(NC(=O)C1=CN=C(OC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL000000003682	0	41	-1.0	-44.77	358.20	2.18	-42.59
CCCC(NC(=O)C1=CN=C(OC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL000000003682	1	41	-1.0	-44.79	358.14	2.17	-42.61
CCCC(NC(=O)C1=CN=C(OC2=CC=CC=C2)C=N1)C1=NNN=N1	REAL000000003682	1	42	0.0	-10.28	361.38	2.20	-8.08
CCCC(NC(=O)CC1=CNC2=CC=CC(OC)=C12)C1=NN=N[N-]1	REAL000000003683	0	43	-1.0	-50.42	359.02	3.73	-46.69
CCCC(NC(=O)CC1=CNC2=CC=CC(OC)=C12)C1=N[N-]N=N1	REAL000000003683	1	43	-1.0	-50.42	358.97	3.73	-46.69
CCCC(NC(=O)CC1=CNC2=CC=CC(OC)=C12)C1=NNN=N1	REAL000000003683	1	44	0.0	-16.07	362.40	3.73	-12.33
CCCCCCCCC(C)CC(=O)NC(CCC)C1=NN=N[N-]1	REAL000000003684	0	55	-1.0	-44.75	424.40	8.06	-36.70
CCCCCCCCC(C)CC(=O)NC(CCC)C1=N[N-]N=N1	REAL000000003684	1	55	-1.0	-44.75	424.34	8.05	-36.70
CCCCCCCCC(C)CC(=O)NC(CCC)C1=NNN=N1	REAL000000003684	1	56	0.0	-9.20	427.79	8.06	-1.14
CCCC(NC(=O)C1=C(C)N=C(C2CCCCC2)S1)C1=NN=N[N-]1	REAL000000003685	0	47	-1.0	-44.09	384.36	5.40	-38.68
CCCC(NC(=O)C1=C(C)N=C(C2CCCCC2)S1)C1=N[N-]N=N1	REAL000000003685	1	47	-1.0	-44.09	384.31	5.40	-38.69
CCCC(NC(=O)C1=C(C)N=C(C2CCCCC2)S1)C1=NNN=N1	REAL000000003685	1	48	0.0	-9.45	387.74	5.41	-4.04
CCCC(NC(=O)C1=CC2=C(OCO2)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000003686	0	37	-1.0	-43.84	327.82	3.34	-40.50
CCCC(NC(=O)C1=CC2=C(OCO2)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000003686	1	37	-1.0	-43.84	327.76	3.34	-40.50
CCCC(NC(=O)C1=CC2=C(OCO2)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000003686	1	38	0.0	-13.23	331.20	3.35	-9.89
CCCC(NC(=O)CC1=CC=C(Br)C=C1C)C1=NN=N[N-]1	REAL000000003687	0	38	-1.0	-45.28	337.03	5.42	-39.87
CCCC(NC(=O)CC1=CC=C(Br)C=C1C)C1=N[N-]N=N1	REAL000000003687	1	38	-1.0	-45.28	336.98	5.42	-39.86
CCCC(NC(=O)CC1=CC=C(Br)C=C1C)C1=NNN=N1	REAL000000003687	1	39	0.0	-11.65	340.41	5.43	-6.22
CCCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000003688	0	46	-1.0	-50.06	385.49	4.56	-45.50
CCCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000003688	1	46	-1.0	-50.06	385.43	4.56	-45.50
CCCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C(C)=C1)C1=NNN=N1	REAL000000003688	1	47	0.0	-12.92	388.82	4.57	-8.35
CCCC(NC(=O)C1=CC(=O)NC2=C(F)C=C(C)C=C12)C1=NN=N[N-]1	REAL000000003689	0	41	-1.0	-42.40	347.90	3.48	-38.92
CCCC(NC(=O)C1=CC(=O)NC2=C(F)C=C(C)C=C12)C1=N[N-]N=N1	REAL000000003689	1	41	-1.0	-42.39	347.84	3.48	-38.91
CCCC(NC(=O)C1=CC(=O)NC2=C(F)C=C(C)C=C12)C1=NNN=N1	REAL000000003689	1	42	0.0	-11.22	351.29	3.49	-7.73
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=CN=C2)=C1)C1=NN=N[N-]1	REAL000000003690	0	48	-1.0	-49.31	405.09	5.81	-43.50
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=CN=C2)=C1)C1=N[N-]N=N1	REAL000000003690	1	48	-1.0	-49.31	405.03	5.80	-43.51
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=CN=C2)=C1)C1=NNN=N1	REAL000000003690	1	49	0.0	-15.17	408.47	5.82	-9.35
CCCC(NC(=O)C1=CC=CC(C2=NN=C(CCOC)O2)=C1)C1=NN=N[N-]1	REAL000000003691	0	47	-1.0	-54.60	402.40	0.12	-54.48
CCCC(NC(=O)C1=CC=CC(C2=NN=C(CCOC)O2)=C1)C1=N[N-]N=N1	REAL000000003691	1	47	-1.0	-54.60	402.35	0.12	-54.48
CCCC(NC(=O)C1=CC=CC(C2=NN=C(CCOC)O2)=C1)C1=NNN=N1	REAL000000003691	1	48	0.0	-18.92	405.78	0.13	-18.79
CCCC(NC(=O)C1=CC=NC(OC(C)CC)=C1)C1=NN=N[N-]1	REAL000000003692	0	44	-1.0	-47.38	364.50	3.04	-44.34
CCCC(NC(=O)C1=CC=NC(OC(C)CC)=C1)C1=N[N-]N=N1	REAL000000003692	1	44	-1.0	-47.38	364.44	3.03	-44.35
CCCC(NC(=O)C1=CC=NC(OC(C)CC)=C1)C1=NNN=N1	REAL000000003692	1	45	0.0	-13.11	367.87	3.04	-10.06
CCCC(NC(=O)C1=NOC(COC2=CC=CC(C(C)=O)=C2)=C1)C1=NN=N[N-]1	REAL000000003693	0	47	-1.0	-56.15	405.36	4.75	-51.40
CCCC(NC(=O)C1=NOC(COC2=CC=CC(C(C)=O)=C2)=C1)C1=N[N-]N=N1	REAL000000003693	1	47	-1.0	-56.14	405.30	4.74	-51.40
CCCC(NC(=O)C1=NOC(COC2=CC=CC(C(C)=O)=C2)=C1)C1=NNN=N1	REAL000000003693	1	48	0.0	-19.16	409.51	4.79	-14.37
CCCC(NC(=O)COCC1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000003694	0	59	-1.0	-59.21	459.75	5.71	-53.51
CCCC(NC(=O)COCC1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000003694	1	59	-1.0	-59.21	459.69	5.71	-53.51
CCCC(NC(=O)COCC1CCCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000003694	1	60	0.0	-17.51	455.95	5.29	-12.21
CCCC(NC(=O)C1=CC=CN1C(C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000003695	0	49	-1.0	-48.63	397.58	8.10	-40.53
CCCC(NC(=O)C1=CC=CN1C(C)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000003695	1	49	-1.0	-48.64	397.52	8.10	-40.54
CCCC(NC(=O)C1=CC=CN1C(C)CC1=CC=CC=C1)C1=NNN=N1	REAL000000003695	1	50	0.0	-11.71	401.00	8.11	-3.60
CCCC(NC(=O)C1=CC(=O)NC(CC(C)C)=C1)C1=NN=N[N-]1	REAL000000003696	0	44	-1.0	-51.25	360.03	3.58	-47.66
CCCC(NC(=O)C1=CC(=O)NC(CC(C)C)=C1)C1=N[N-]N=N1	REAL000000003696	1	44	-1.0	-51.24	359.97	3.57	-47.67
CCCC(NC(=O)C1=CC(=O)NC(CC(C)C)=C1)C1=NNN=N1	REAL000000003696	1	45	0.0	-18.33	363.41	3.59	-14.74
CCCC(NC(=O)CSC1=NC(C2=CC=CC(C)=C2)=NO1)C1=NN=N[N-]1	REAL000000003697	0	44	-1.0	-46.77	393.08	4.09	-42.68
CCCC(NC(=O)CSC1=NC(C2=CC=CC(C)=C2)=NO1)C1=N[N-]N=N1	REAL000000003697	1	44	-1.0	-46.77	393.02	4.08	-42.69
CCCC(NC(=O)CSC1=NC(C2=CC=CC(C)=C2)=NO1)C1=NNN=N1	REAL000000003697	1	45	0.0	-14.63	396.46	4.10	-10.53
CCCC(NC(=O)C1=CC(Br)=NC=C1F)C1=NN=N[N-]1	REAL000000003698	0	31	-1.0	-43.93	295.64	2.46	-41.47
CCCC(NC(=O)C1=CC(Br)=NC=C1F)C1=N[N-]N=N1	REAL000000003698	1	31	-1.0	-43.92	295.58	2.46	-41.46
CCCC(NC(=O)C1=CC(Br)=NC=C1F)C1=NNN=N1	REAL000000003698	1	32	0.0	-11.11	299.02	2.47	-8.64
CCCC(NC(=O)C(C)=CC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL000000003699	0	39	-1.0	-49.82	336.79	5.88	-43.94
CCCC(NC(=O)C(C)=CC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL000000003699	1	39	-1.0	-49.82	336.73	5.88	-43.94
CCCC(NC(=O)C(C)=CC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000003699	1	40	0.0	-12.12	340.17	5.89	-6.23
CCCC(NC(=O)C1=CC=CC(OCC2=NOC(C)=N2)=C1)C1=NN=N[N-]1	REAL000000003700	0	44	-1.0	-56.06	377.17	2.45	-53.62
CCCC(NC(=O)C1=CC=CC(OCC2=NOC(C)=N2)=C1)C1=N[N-]N=N1	REAL000000003700	1	44	-1.0	-56.06	377.12	2.45	-53.61
CCCC(NC(=O)C1=CC=CC(OCC2=NOC(C)=N2)=C1)C1=NNN=N1	REAL000000003700	1	45	0.0	-19.34	380.55	2.46	-16.88
CCCC(NC(=O)C1=CC=C(Cl)C(OC)=C1)C1=NN=N[N-]1	REAL000000003701	0	36	-1.0	-44.74	319.84	3.52	-41.22
CCCC(NC(=O)C1=CC=C(Cl)C(OC)=C1)C1=N[N-]N=N1	REAL000000003701	1	36	-1.0	-44.74	319.78	3.51	-41.23
CCCC(NC(=O)C1=CC=C(Cl)C(OC)=C1)C1=NNN=N1	REAL000000003701	1	37	0.0	-11.57	323.22	3.53	-8.04
CCCC(NC(=O)C1=CC=C(CC)C(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000003702	0	44	-1.0	-59.01	363.15	2.40	-56.62
CCCC(NC(=O)C1=CC=C(CC)C(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000003702	1	44	-1.0	-59.02	363.09	2.39	-56.63
CCCC(NC(=O)C1=CC=C(CC)C(S(C)(=O)=O)=C1)C1=NNN=N1	REAL000000003702	1	45	0.0	-20.67	368.00	2.62	-18.05
CCCC(NC(=O)C1=CC(OC)=C(Br)S1)C1=NN=N[N-]1	REAL000000003703	0	33	-1.0	-42.33	318.21	2.68	-39.65
CCCC(NC(=O)C1=CC(OC)=C(Br)S1)C1=N[N-]N=N1	REAL000000003703	1	33	-1.0	-42.33	318.15	2.68	-39.64
CCCC(NC(=O)C1=CC(OC)=C(Br)S1)C1=NNN=N1	REAL000000003703	1	34	0.0	-7.28	314.40	2.37	-4.91
CCCC(NC(=O)C1=CC=C2C=C(C#N)C=CC2=C1)C1=NN=N[N-]1	REAL000000003704	0	39	-1.0	-47.69	341.35	6.28	-41.41
CCCC(NC(=O)C1=CC=C2C=C(C#N)C=CC2=C1)C1=N[N-]N=N1	REAL000000003704	1	39	-1.0	-47.69	341.29	6.27	-41.41
CCCC(NC(=O)C1=CC=C2C=C(C#N)C=CC2=C1)C1=NNN=N1	REAL000000003704	1	40	0.0	-13.70	344.72	6.29	-7.41
CCCC(NC(=O)C1COC2=CC=C(Br)C=C21)C1=NN=N[N-]1	REAL000000003705	0	37	-1.0	-48.17	334.05	3.95	-44.22
CCCC(NC(=O)C1COC2=CC=C(Br)C=C21)C1=N[N-]N=N1	REAL000000003705	1	37	-1.0	-48.17	333.99	3.94	-44.23
CCCC(NC(=O)C1COC2=CC=C(Br)C=C21)C1=NNN=N1	REAL000000003705	1	38	0.0	-10.09	330.23	3.63	-6.46
CCCC(NC(=O)C1=COC(S(=O)(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL000000003706	0	40	-1.0	-52.51	354.89	-0.28	-52.80
CCCC(NC(=O)C1=COC(S(=O)(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL000000003706	1	40	-1.0	-52.51	354.83	-0.28	-52.79
CCCC(NC(=O)C1=COC(S(=O)(=O)N(C)C)=C1)C1=NNN=N1	REAL000000003706	1	41	0.0	-18.80	359.12	-0.31	-19.12
CCCC(NC(=O)C(F)(F)C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL000000003707	0	35	-1.0	-47.20	317.44	4.45	-42.75
CCCC(NC(=O)C1CC1C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL000000003708	0	40	-1.0	-48.68	339.77	5.98	-42.70
CCCC(NC(=O)C1CC1C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL000000003708	1	40	-1.0	-48.68	339.71	5.97	-42.70
CCCC(NC(=O)C1CC1C1=CC=C(C#N)C=C1)C1=NNN=N1	REAL000000003708	1	41	0.0	-12.61	343.14	5.99	-6.61
CCCC(NC(=O)C1=CN=CC(I)=C1)C1=NN=N[N-]1	REAL000000003709	0	31	-1.0	-42.83	297.16	2.95	-39.88
CCCC(NC(=O)C1=CN=CC(I)=C1)C1=N[N-]N=N1	REAL000000003709	1	31	-1.0	-42.83	297.10	2.94	-39.89
CCCC(NC(=O)C1=CN=CC(I)=C1)C1=NNN=N1	REAL000000003709	1	32	0.0	-6.88	293.34	2.63	-4.26
CCCC(NC(=O)CN1C(=O)NC2(CC(C)CC(C)C2)C1=O)C1=NN=N[N-]1	REAL000000003710	0	53	-1.0	-52.58	409.69	3.97	-48.61
CCCC(NC(=O)CN1C(=O)NC2(CC(C)CC(C)C2)C1=O)C1=N[N-]N=N1	REAL000000003710	1	53	-1.0	-52.57	409.64	3.98	-48.60
CCCC(NC(=O)CN1C(=O)NC2(CC(C)CC(C)C2)C1=O)C1=NNN=N1	REAL000000003710	1	54	0.0	-15.70	413.16	3.97	-11.73
CCCC(NC(=O)CCCOCC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000003711	0	49	-1.0	-50.74	405.41	4.50	-46.24
CCCC(NC(=O)CCCOCC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000003711	1	49	-1.0	-50.74	405.35	4.49	-46.24
CCCC(NC(=O)CCCOCC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000003711	1	50	0.0	-15.42	408.79	4.51	-10.91
CCCC(NC(=O)C1=C2N=CC=CC2=CC(Br)=C1)C1=NN=N[N-]1	REAL000000003712	0	37	-1.0	-53.84	334.69	5.07	-48.77
CCCC(NC(=O)C1=C2N=CC=CC2=CC(Br)=C1)C1=N[N-]N=N1	REAL000000003712	1	37	-1.0	-53.84	334.63	5.06	-48.78
CCCC(NC(=O)C1=C2N=CC=CC2=CC(Br)=C1)C1=NNN=N1	REAL000000003712	1	38	0.0	-15.15	338.07	5.08	-10.07
CCCC(NC(=O)C(C)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000003713	0	50	-1.0	-50.68	411.54	8.11	-42.57
CCCC(NC(=O)C(C)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000003713	1	50	-1.0	-50.68	411.49	8.11	-42.57
CCCC(NC(=O)C(C)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000003713	1	51	0.0	-15.11	414.91	8.12	-7.00
CCCC(NC(=O)CCC(=O)NC1CCCC1)C1=NN=N[N-]1	REAL000000003714	0	45	-1.0	-45.31	364.10	2.67	-42.65
CCCC(NC(=O)CCC(=O)NC1CCCC1)C1=N[N-]N=N1	REAL000000003714	1	45	-1.0	-45.31	364.04	2.66	-42.65
CCCC(NC(=O)CCC(=O)NC1CCCC1)C1=NNN=N1	REAL000000003714	1	46	0.0	-11.48	367.48	2.68	-8.80
CCCC(NC(=O)CC1=CNC2=CC=C([N+](=O)[O-])C=C12)C1=NN=N[N-]1	REAL000000003715	0	41	-1.0	-49.75	358.98	5.04	-44.71
CCCC(NC(=O)CC1=CNC2=CC=C([N+](=O)[O-])C=C12)C1=N[N-]N=N1	REAL000000003715	1	41	-1.0	-49.76	358.93	5.04	-44.72
CCCC(NC(=O)CC1=CNC2=CC=C([N+](=O)[O-])C=C12)C1=NNN=N1	REAL000000003715	1	42	0.0	-17.46	362.36	5.05	-12.41
CCCC(NC(=O)C1=CC=C(C(=O)NC(C)C)C=C1)C1=NN=N[N-]1	REAL000000003716	0	45	-1.0	-50.56	372.88	3.60	-46.96
CCCC(NC(=O)C1=CC=C(C(=O)NC(C)C)C=C1)C1=N[N-]N=N1	REAL000000003716	1	45	-1.0	-50.56	372.82	3.60	-46.96
CCCC(NC(=O)C1=CC=C(C(=O)NC(C)C)C=C1)C1=NNN=N1	REAL000000003716	1	46	0.0	-17.14	376.26	3.61	-13.53
CCCC(NC(=O)C1=CC=CC(C2=NNC=N2)=C1)C1=NN=N[N-]1	REAL000000003717	0	38	-1.0	-55.82	329.47	4.52	-51.30
CCCC(NC(=O)C1=CC=CC(C2=NNC=N2)=C1)C1=N[N-]N=N1	REAL000000003717	1	38	-1.0	-55.81	329.41	4.51	-51.31
CCCC(NC(=O)C1=CC=CC(C2=NNC=N2)=C1)C1=NNN=N1	REAL000000003717	1	39	0.0	-15.44	325.64	4.19	-11.24
CCCC(NC(=O)CCC1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000003718	0	55	-1.0	-48.59	430.90	5.19	-43.40
CCCC(NC(=O)CCC1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000003718	1	55	-1.0	-48.59	430.84	5.19	-43.40
CCCC(NC(=O)CCC1CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000003718	1	56	0.0	-15.81	434.28	5.20	-10.61
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C(C)=C1)C1=NN=N[N-]1	REAL000000003719	0	42	-1.0	-51.93	371.14	5.93	-46.00
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C(C)=C1)C1=N[N-]N=N1	REAL000000003719	1	42	-1.0	-51.93	371.08	5.93	-46.00
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C(C)=C1)C1=NNN=N1	REAL000000003719	1	43	0.0	-13.72	374.53	5.94	-7.79
CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2F)N=N1)C1=NN=N[N-]1	REAL000000003720	0	38	-1.0	-49.83	352.23	3.93	-45.89
CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2F)N=N1)C1=N[N-]N=N1	REAL000000003720	1	38	-1.0	-49.82	352.17	3.92	-45.90
CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2F)N=N1)C1=NNN=N1	REAL000000003720	1	39	0.0	-16.17	355.60	3.94	-12.23
CCCC(NC(=O)C1=CC=CC(C2=COC=C2)=C1)C1=NN=N[N-]1	REAL000000003721	0	39	-1.0	-49.43	333.28	5.22	-44.21
CCCC(NC(=O)C1=CC=CC(C2=COC=C2)=C1)C1=N[N-]N=N1	REAL000000003721	1	39	-1.0	-49.42	333.22	5.22	-44.20
CCCC(NC(=O)C1=CC=CC(C2=COC=C2)=C1)C1=NNN=N1	REAL000000003721	1	40	0.0	-13.37	336.66	5.23	-8.14
CCCC(NC(=O)CC1=C2C=C(OC)C=CC2=CC=C1)C1=NN=N[N-]1	REAL000000003722	0	45	-1.0	-49.94	370.99	5.74	-44.20
CCCC(NC(=O)CC1=C2C=C(OC)C=CC2=CC=C1)C1=N[N-]N=N1	REAL000000003722	1	45	-1.0	-49.95	370.93	5.74	-44.21
CCCC(NC(=O)CC1=C2C=C(OC)C=CC2=CC=C1)C1=NNN=N1	REAL000000003722	1	46	0.0	-11.36	367.18	5.43	-5.94
CCCC(NC(=O)C1=CC=CC(C2CCOC2)=C1)C1=NN=N[N-]1	REAL000000003723	0	43	-1.0	-48.10	349.10	4.27	-43.83
CCCC(NC(=O)C1=CC=CC(C2CCOC2)=C1)C1=N[N-]N=N1	REAL000000003723	1	43	-1.0	-48.10	349.04	4.26	-43.84
CCCC(NC(=O)C1=CC=CC(C2CCOC2)=C1)C1=NNN=N1	REAL000000003723	1	44	0.0	-12.19	352.04	4.29	-7.90
CCCC(NC(=O)CN1C=NC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL000000003724	0	41	-1.0	-60.80	355.10	6.07	-54.73
CCCC(NC(=O)CN1C=NC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL000000003724	1	41	-1.0	-60.81	355.05	6.07	-54.74
CCCC(NC(=O)CN1C=NC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000003724	1	42	0.0	-21.58	358.48	6.07	-15.51
CCCC(NC(=O)CN(CCC1=CC=CC=C1)C(C)=O)C1=NN=N[N-]1	REAL000000003725	0	48	-1.0	-51.58	397.89	5.99	-45.58
CCCC(NC(=O)CN(CCC1=CC=CC=C1)C(C)=O)C1=N[N-]N=N1	REAL000000003725	1	48	-1.0	-51.57	397.83	5.99	-45.58
CCCC(NC(=O)CN(CCC1=CC=CC=C1)C(C)=O)C1=NNN=N1	REAL000000003725	1	49	0.0	-19.10	401.28	6.00	-13.10
CCCC(NC(=O)C(C)SC1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL000000003726	0	41	-1.0	-46.00	369.36	5.37	-40.63
CCCC(NC(=O)C(C)SC1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL000000003726	1	41	-1.0	-45.99	369.30	5.37	-40.62
CCCC(NC(=O)C(C)SC1=NC2=CC=CC=C2S1)C1=NNN=N1	REAL000000003726	1	42	0.0	-9.40	365.51	5.05	-4.34
CCCC(NC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000003727	0	55	-1.0	-57.10	427.53	5.26	-51.84
CCCC(NC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000003727	1	55	-1.0	-57.09	427.47	5.25	-51.84
CCCC(NC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003727	1	56	0.0	-16.93	430.90	5.28	-11.66
CCCC(NC(=O)C1=CN(C2=CC=C(F)C=C2C)N=N1)C1=NN=N[N-]1	REAL000000003728	0	41	-1.0	-44.57	353.69	4.14	-40.44
CCCC(NC(=O)C1=CN(C2=CC=C(F)C=C2C)N=N1)C1=N[N-]N=N1	REAL000000003728	1	41	-1.0	-44.57	353.63	4.14	-40.43
CCCC(NC(=O)C1=CN(C2=CC=C(F)C=C2C)N=N1)C1=NNN=N1	REAL000000003728	1	42	0.0	-10.83	357.04	4.15	-6.68
CCCC(NC(=O)C1=C(CC)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000003729	0	41	-1.0	-46.64	349.11	5.50	-41.14
CCCC(NC(=O)C1=C(CC)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000003729	1	41	-1.0	-46.63	349.06	5.50	-41.14
CCCC(NC(=O)C1=C(CC)OC2=CC=CC=C21)C1=NNN=N1	REAL000000003729	1	42	0.0	-9.56	345.29	5.17	-4.39
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC(OC)=C2)N1)C1=NN=N[N-]1	REAL000000003730	0	46	-1.0	-48.43	383.60	4.02	-44.42
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC(OC)=C2)N1)C1=N[N-]N=N1	REAL000000003730	1	46	-1.0	-48.43	383.54	4.01	-44.42
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC(OC)=C2)N1)C1=NNN=N1	REAL000000003730	1	47	0.0	-12.10	379.78	3.70	-8.40
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)CCO)C=C1)C1=NN=N[N-]1	REAL000000003731	0	45	-1.0	-55.64	392.56	-0.59	-56.23
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)CCO)C=C1)C1=N[N-]N=N1	REAL000000003731	1	45	-1.0	-55.64	392.51	-0.58	-56.23
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)CCO)C=C1)C1=NNN=N1	REAL000000003731	1	46	0.0	-18.01	388.75	-0.90	-18.91
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)N=C1)C1=NN=N[N-]1	REAL000000003732	0	36	-1.0	-48.20	324.52	-3.31	-51.50
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)N=C1)C1=N[N-]N=N1	REAL000000003732	1	36	-1.0	-48.19	324.46	-3.30	-51.50
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)N=C1)C1=NNN=N1	REAL000000003732	1	37	0.0	-17.47	327.90	-3.30	-20.77
CCCC(NC(=O)C1=CN(C2=CC=C(Br)C=C2)C=N1)C1=NN=N[N-]1	REAL000000003733	0	39	-1.0	-48.67	355.49	6.54	-42.13
CCCC(NC(=O)C1=CN(C2=CC=C(Br)C=C2)C=N1)C1=N[N-]N=N1	REAL000000003733	1	39	-1.0	-48.66	355.43	6.54	-42.12
CCCC(NC(=O)C1=CN(C2=CC=C(Br)C=C2)C=N1)C1=NNN=N1	REAL000000003733	1	40	0.0	-12.10	358.87	6.55	-5.55
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC(C(F)(F)F)=C2)N1)C1=NN=N[N-]1	REAL000000003734	0	45	-1.0	-47.36	393.17	5.71	-41.65
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC(C(F)(F)F)=C2)N1)C1=N[N-]N=N1	REAL000000003734	1	45	-1.0	-47.35	393.11	5.71	-41.65
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC(C(F)(F)F)=C2)N1)C1=NNN=N1	REAL000000003734	1	46	0.0	-15.22	396.54	5.72	-9.50
CCCC(NC(=O)C1=CC=C(C(=O)N(C)C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000003735	0	49	-1.0	-51.08	394.65	6.64	-44.44
CCCC(NC(=O)C1=CC=C(C(=O)N(C)C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000003735	1	49	-1.0	-51.09	394.59	6.63	-44.45
CCCC(NC(=O)C1=CC=C(C(=O)N(C)C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000003735	1	50	0.0	-18.42	399.31	6.68	-11.74
CCCC(NC(=O)CC1=CNC2=CC=CC(Br)=C12)C1=NN=N[N-]1	REAL000000003736	0	39	-1.0	-47.86	346.85	4.81	-43.06
CCCC(NC(=O)CC1=CNC2=CC=CC(Br)=C12)C1=N[N-]N=N1	REAL000000003736	1	39	-1.0	-47.87	346.79	4.80	-43.07
CCCC(NC(=O)CC1=CNC2=CC=CC(Br)=C12)C1=NNN=N1	REAL000000003736	1	40	0.0	-11.62	343.06	4.48	-7.15
CCCC(NC(=O)C(F)(F)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000003737	0	39	-1.0	-41.75	338.09	3.74	-38.01
CCCC(NC(=O)C(F)(F)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000003737	1	39	-1.0	-41.73	338.03	3.73	-38.01
CCCC(NC(=O)C(F)(F)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000003737	1	40	0.0	-10.09	341.47	3.75	-6.35
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C(=O)C=C1)C1=NN=N[N-]1	REAL000000003738	0	41	-1.0	-49.00	363.74	4.30	-44.70
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C(=O)C=C1)C1=N[N-]N=N1	REAL000000003738	1	41	-1.0	-48.99	363.69	4.30	-44.69
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C(=O)C=C1)C1=NNN=N1	REAL000000003738	1	42	0.0	-15.14	367.12	4.31	-10.83
CCCC(NC(=O)C1=CC=C(C(=O)NC2CC2)C=C1)C1=NN=N[N-]1	REAL000000003739	0	43	-1.0	-50.20	362.37	3.66	-46.55
CCCC(NC(=O)C1=CC=C(C(=O)NC2CC2)C=C1)C1=N[N-]N=N1	REAL000000003739	1	43	-1.0	-50.21	362.31	3.66	-46.55
CCCC(NC(=O)C1=CC=C(C(=O)NC2CC2)C=C1)C1=NNN=N1	REAL000000003739	1	44	0.0	-13.12	358.57	3.33	-9.80
CCCC(NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000003740	0	55	-1.0	-42.87	442.71	5.83	-37.05
CCCC(NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000003740	1	55	-1.0	-42.87	442.64	5.82	-37.05
CCCC(NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000003740	1	56	0.0	-10.73	441.76	5.01	-5.72
CCCC(NC(=O)C1=CC(OC)=C(O)C(OC)=C1)C1=NN=N[N-]1	REAL000000003741	0	41	-1.0	-47.01	343.71	0.73	-46.27
CCCC(NC(=O)C1=CC(OC)=C(O)C(OC)=C1)C1=N[N-]N=N1	REAL000000003741	1	41	-1.0	-47.00	343.65	0.73	-46.27
CCCC(NC(=O)C1=CC(OC)=C(O)C(OC)=C1)C1=NNN=N1	REAL000000003741	1	42	0.0	-10.66	339.90	0.41	-10.25
CCCC(NC(=O)C1=CN2C(=O)NN=C2C=C1)C1=NN=N[N-]1	REAL000000003742	0	35	-1.0	-49.47	306.52	2.04	-47.43
CCCC(NC(=O)C1=CN2C(=O)NN=C2C=C1)C1=N[N-]N=N1	REAL000000003742	1	35	-1.0	-49.47	306.46	2.03	-47.44
CCCC(NC(=O)C1=CN2C(=O)NN=C2C=C1)C1=NNN=N1	REAL000000003742	1	36	0.0	-13.79	302.71	1.71	-12.07
CCCC(NC(=O)C1CCN(C2=CN=CC3=NN=NN32)CC1)C1=NN=N[N-]1	REAL000000003743	0	47	-1.0	-52.89	377.42	3.28	-49.61
CCCC(NC(=O)C1CCN(C2=CN=CC3=NN=NN32)CC1)C1=N[N-]N=N1	REAL000000003743	1	47	-1.0	-52.88	377.36	3.27	-49.62
CCCC(NC(=O)C1CCN(C2=CN=CC3=NN=NN32)CC1)C1=NNN=N1	REAL000000003743	1	48	0.0	-19.74	380.72	3.28	-16.46
CCCC(NC(=O)C1=CC=C(Br)C(C)=C1)C1=NN=N[N-]1	REAL000000003744	0	35	-1.0	-44.14	313.80	4.84	-39.30
CCCC(NC(=O)C1=CC=C(Br)C(C)=C1)C1=N[N-]N=N1	REAL000000003744	1	35	-1.0	-44.14	313.74	4.84	-39.30
CCCC(NC(=O)C1=CC=C(Br)C(C)=C1)C1=NNN=N1	REAL000000003744	1	36	0.0	-6.83	309.97	4.52	-2.32
CCCC(NC(=O)C1=CC=CC(C2=C(F)C=CC=C2F)=C1)C1=NN=N[N-]1	REAL000000003745	0	42	-1.0	-52.03	367.32	7.39	-44.64
CCCC(NC(=O)C1=CC=CC(C2=C(F)C=CC=C2F)=C1)C1=N[N-]N=N1	REAL000000003745	1	42	-1.0	-52.03	367.26	7.38	-44.64
CCCC(NC(=O)C1=CC=CC(C2=C(F)C=CC=C2F)=C1)C1=NNN=N1	REAL000000003745	1	43	0.0	-15.13	370.70	7.40	-7.73
CCCC(NC(=O)CCC1=CC=C(S(=O)(=O)CC)C=C1)C1=NN=N[N-]1	REAL000000003746	0	47	-1.0	-51.38	402.54	3.55	-47.83
CCCC(NC(=O)CCC1=CC=C(S(=O)(=O)CC)C=C1)C1=N[N-]N=N1	REAL000000003746	1	47	-1.0	-51.37	402.48	3.54	-47.83
CCCC(NC(=O)CCC1=CC=C(S(=O)(=O)CC)C=C1)C1=NNN=N1	REAL000000003746	1	48	0.0	-17.43	405.92	3.56	-13.86
CCCC(NC(=O)C(C)C1=CC=C(CC(C)C)C=C1)C1=NN=N[N-]1	REAL000000003747	0	50	-1.0	-48.39	396.05	7.55	-40.83
CCCC(NC(=O)C(C)C1=CC=C(CC(C)C)C=C1)C1=N[N-]N=N1	REAL000000003747	1	50	-1.0	-48.39	396.00	7.55	-40.84
CCCC(NC(=O)C(C)C1=CC=C(CC(C)C)C=C1)C1=NNN=N1	REAL000000003747	1	51	0.0	-10.52	399.44	7.56	-2.96
CCCC(NC(=O)C1=CC(F)=C(Cl)C=C1F)C1=NN=N[N-]1	REAL000000003748	0	32	-1.0	-43.95	301.46	4.29	-39.66
CCCC(NC(=O)C1=CC(F)=C(Cl)C=C1F)C1=N[N-]N=N1	REAL000000003748	1	32	-1.0	-43.95	301.40	4.29	-39.65
CCCC(NC(=O)C1=CC(F)=C(Cl)C=C1F)C1=NNN=N1	REAL000000003748	1	33	0.0	-10.68	304.84	4.30	-6.38
CCCC(NC(=O)C1=C(C)N=C(N(C)C)S1)C1=NN=N[N-]1	REAL000000003749	0	39	-1.0	-47.65	335.88	3.20	-44.45
CCCC(NC(=O)C1=C(C)N=C(N(C)C)S1)C1=N[N-]N=N1	REAL000000003749	1	39	-1.0	-47.65	335.82	3.19	-44.46
CCCC(NC(=O)C1=C(C)N=C(N(C)C)S1)C1=NNN=N1	REAL000000003749	1	40	0.0	-9.09	330.60	2.84	-6.25
CCCC(NC(=O)C1=CC(C(=O)OCC)=CN=C1C)C1=NN=N[N-]1	REAL000000003750	0	43	-1.0	-43.72	362.43	4.10	-39.62
CCCC(NC(=O)C1=CC(C(=O)OCC)=CN=C1C)C1=N[N-]N=N1	REAL000000003750	1	43	-1.0	-43.72	362.37	4.10	-39.62
CCCC(NC(=O)C1=CC(C(=O)OCC)=CN=C1C)C1=NNN=N1	REAL000000003750	1	44	0.0	-8.09	358.60	3.78	-4.31
CCCC(NC(=O)C(C)N1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000003751	0	44	-1.0	-47.30	345.32	3.79	-43.51
CCCC(NC(=O)C(C)N1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000003751	1	44	-1.0	-47.30	345.26	3.80	-43.50
CCCC(NC(=O)C(C)N1CCC2=CC=CC=C21)C1=NNN=N1	REAL000000003751	1	45	0.0	-10.02	348.70	3.80	-6.22
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2C#N)C(Cl)=C1)C1=NN=N[N-]1	REAL000000003752	0	44	-1.0	-54.92	400.63	7.49	-47.42
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2C#N)C(Cl)=C1)C1=N[N-]N=N1	REAL000000003752	1	44	-1.0	-54.91	400.58	7.49	-47.43
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2C#N)C(Cl)=C1)C1=NNN=N1	REAL000000003752	1	45	0.0	-15.03	396.37	7.13	-7.91
CCCC(NC(=O)C1=CN=C(C2CCCO2)S1)C1=NN=N[N-]1	REAL000000003753	0	39	-1.0	-46.22	340.05	1.82	-44.41
CCCC(NC(=O)C1=CN=C(C2CCCO2)S1)C1=N[N-]N=N1	REAL000000003753	1	39	-1.0	-46.22	339.99	1.82	-44.40
CCCC(NC(=O)C1=CN=C(C2CCCO2)S1)C1=NNN=N1	REAL000000003753	1	40	0.0	-12.61	343.42	1.82	-10.79
CCCC(NC(=O)C1=C2N=CC=CC2=CC(F)=C1)C1=NN=N[N-]1	REAL000000003754	0	37	-1.0	-53.58	319.84	4.51	-49.07
CCCC(NC(=O)C1=C2N=CC=CC2=CC(F)=C1)C1=N[N-]N=N1	REAL000000003754	1	37	-1.0	-53.58	319.78	4.51	-49.06
CCCC(NC(=O)C1=C2N=CC=CC2=CC(F)=C1)C1=NNN=N1	REAL000000003754	1	38	0.0	-15.27	323.22	4.52	-10.74
CCCC(NC(=O)C1=CC=C(OC2=CC=C(C(C)=O)C=C2)C=C1)C1=NN=N[N-]1	REAL000000003755	0	48	-1.0	-47.08	405.58	7.01	-40.07
CCCC(NC(=O)C1=CC=C(OC2=CC=C(C(C)=O)C=C2)C=C1)C1=N[N-]N=N1	REAL000000003755	1	48	-1.0	-47.09	405.52	7.00	-40.09
CCCC(NC(=O)C1=CC=C(OC2=CC=C(C(C)=O)C=C2)C=C1)C1=NNN=N1	REAL000000003755	1	49	0.0	-15.73	407.45	6.95	-8.78
CCCC(NC(=O)C1=CC=CC(OCC(F)F)=N1)C1=NN=N[N-]1	REAL000000003756	0	38	-1.0	-47.06	338.62	1.73	-45.32
CCCC(NC(=O)C1=CC=CC(OCC(F)F)=N1)C1=N[N-]N=N1	REAL000000003756	1	38	-1.0	-47.05	338.56	1.73	-45.32
CCCC(NC(=O)C1=CC=CC(OCC(F)F)=N1)C1=NNN=N1	REAL000000003756	1	39	0.0	-12.70	342.00	1.74	-10.96
CCCC(NC(=O)C1=CN=CC(N2CCOCC2)=C1)C1=NN=N[N-]1	REAL000000003757	0	44	-1.0	-45.90	353.50	0.67	-45.23
CCCC(NC(=O)C1=CN=CC(N2CCOCC2)=C1)C1=N[N-]N=N1	REAL000000003757	1	44	-1.0	-45.90	353.44	0.66	-45.24
CCCC(NC(=O)C1=CN=CC(N2CCOCC2)=C1)C1=NNN=N1	REAL000000003757	1	45	0.0	-11.57	356.87	0.68	-10.90
CCCC(NC(=O)C1=CC=CC(C)=C1Br)C1=NN=N[N-]1	REAL000000003758	0	35	-1.0	-48.11	308.82	4.85	-43.26
CCCC(NC(=O)C1=CC=CC(C)=C1Br)C1=N[N-]N=N1	REAL000000003758	1	35	-1.0	-48.11	308.76	4.85	-43.25
CCCC(NC(=O)C1=CC=CC(C)=C1Br)C1=NNN=N1	REAL000000003758	1	36	0.0	-8.57	305.00	4.52	-4.05
CCCC(NC(=O)C1CCC2CCCCC2C1)C1=NN=N[N-]1	REAL000000003759	0	48	-1.0	-46.05	355.41	6.09	-39.96
CCCC(NC(=O)C1CCC2CCCCC2C1)C1=N[N-]N=N1	REAL000000003759	1	48	-1.0	-46.04	355.35	6.08	-39.96
CCCC(NC(=O)C1CCC2CCCCC2C1)C1=NNN=N1	REAL000000003759	1	49	0.0	-6.27	358.12	5.91	-0.35
CCCC(NC(=O)C(CC(F)F)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000003760	0	48	-1.0	-41.02	387.77	2.13	-38.89
CCCC(NC(=O)C(CC(F)F)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000003760	1	48	-1.0	-41.01	387.71	2.12	-38.90
CCCC(NC(=O)C(CC(F)F)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003760	1	49	0.0	-10.39	391.15	2.14	-8.25
CCCC(NC(=O)CCCC1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL000000003761	0	41	-1.0	-48.31	353.74	6.01	-42.30
CCCC(NC(=O)CCCC1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL000000003761	1	41	-1.0	-48.31	353.68	6.01	-42.30
CCCC(NC(=O)CCCC1=CC(F)=CC=C1F)C1=NNN=N1	REAL000000003761	1	42	0.0	-9.45	349.92	5.70	-3.75
CCCC(NC(=O)C1=CC=C2NC(C3=CC=C(Cl)C=C3)=NC2=C1)C1=NN=N[N-]1	REAL000000003762	0	45	-1.0	-53.51	396.28	6.72	-46.79
CCCC(NC(=O)C1=CC=C2NC(C3=CC=C(Cl)C=C3)=NC2=C1)C1=N[N-]N=N1	REAL000000003762	1	45	-1.0	-53.51	396.22	6.72	-46.79
CCCC(NC(=O)C1=CC=C2NC(C3=CC=C(Cl)C=C3)=NC2=C1)C1=NNN=N1	REAL000000003762	1	46	0.0	-13.67	392.47	6.41	-7.26
CCCC(NC(=O)C(C)CC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000003763	0	45	-1.0	-45.46	365.29	4.91	-40.55
CCCC(NC(=O)C(C)CC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000003763	1	45	-1.0	-45.46	365.23	4.90	-40.55
CCCC(NC(=O)C(C)CC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000003763	1	46	0.0	-8.30	361.43	4.59	-3.71
CCCC(NC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000003764	0	46	-1.0	-51.34	386.07	5.68	-45.66
CCCC(NC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000003764	1	46	-1.0	-51.34	386.02	5.68	-45.65
CCCC(NC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000003764	1	47	0.0	-17.90	389.75	5.68	-12.23
CCCC(NC(=O)CCCC1=CC=C(CC(C)C)C=C1)C1=NN=N[N-]1	REAL000000003765	0	53	-1.0	-46.94	423.02	8.58	-38.36
CCCC(NC(=O)CCCC1=CC=C(CC(C)C)C=C1)C1=N[N-]N=N1	REAL000000003765	1	53	-1.0	-46.93	422.97	8.58	-38.35
CCCC(NC(=O)CCCC1=CC=C(CC(C)C)C=C1)C1=NNN=N1	REAL000000003765	1	54	0.0	-11.63	426.45	8.58	-3.05
CCCC(NC(=O)CC(C)C1=C(C)ON=C1C)C1=NN=N[N-]1	REAL000000003766	0	43	-1.0	-44.55	345.53	4.17	-40.38
CCCC(NC(=O)CC(C)C1=C(C)ON=C1C)C1=N[N-]N=N1	REAL000000003766	1	43	-1.0	-44.54	345.47	4.17	-40.37
CCCC(NC(=O)CC(C)C1=C(C)ON=C1C)C1=NNN=N1	REAL000000003766	1	44	0.0	-11.71	348.89	4.18	-7.53
CCCC(NC(=O)CCC(C)(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000003767	0	47	-1.0	-47.34	367.91	6.50	-40.84
CCCC(NC(=O)CCC(C)(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000003767	1	47	-1.0	-47.34	367.85	6.50	-40.84
CCCC(NC(=O)CCC(C)(C)C1=CC=CC=C1)C1=NNN=N1	REAL000000003767	1	48	0.0	-8.41	364.12	6.18	-2.23
CCCC(NC(=O)CCCC1=CC=C(OC)C=C1OC)C1=NN=N[N-]1	REAL000000003768	0	49	-1.0	-51.04	399.67	4.59	-46.45
CCCC(NC(=O)CCCC1=CC=C(OC)C=C1OC)C1=N[N-]N=N1	REAL000000003768	1	49	-1.0	-51.04	399.61	4.58	-46.45
CCCC(NC(=O)CCCC1=CC=C(OC)C=C1OC)C1=NNN=N1	REAL000000003768	1	50	0.0	-11.57	395.86	4.27	-7.30
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C1=NN=N[N-]1	REAL000000003769	0	41	-1.0	-53.69	356.49	2.09	-51.60
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C1=N[N-]N=N1	REAL000000003769	1	41	-1.0	-53.68	356.43	2.08	-51.61
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C1=NNN=N1	REAL000000003769	1	42	0.0	-16.25	352.68	1.76	-14.49
CCCC(NC(=O)C1=CC(C)=CC=C1S(N)(=O)=O)C1=NN=N[N-]1	REAL000000003770	0	40	-1.0	-49.47	340.32	0.55	-48.92
CCCC(NC(=O)C1=CC(C)=CC=C1S(N)(=O)=O)C1=N[N-]N=N1	REAL000000003770	1	40	-1.0	-49.46	340.26	0.54	-48.92
CCCC(NC(=O)C1=CC(C)=CC=C1S(N)(=O)=O)C1=NNN=N1	REAL000000003770	1	41	0.0	-18.61	343.69	0.56	-18.05
CCCC(NC(=O)CC(C)C1=C(C)NN=C1C)C1=NN=N[N-]1	REAL000000003771	0	44	-1.0	-45.83	347.77	2.90	-42.93
CCCC(NC(=O)CC(C)C1=C(C)NN=C1C)C1=N[N-]N=N1	REAL000000003771	1	44	-1.0	-45.82	347.71	2.89	-42.94
CCCC(NC(=O)CC(C)C1=C(C)NN=C1C)C1=NNN=N1	REAL000000003771	1	45	0.0	-9.55	343.81	2.57	-6.99
CCCC(NC(=O)C1=CC=NC(N2CCCC2)=N1)C1=NN=N[N-]1	REAL000000003772	0	42	-1.0	-44.52	345.98	3.59	-40.94
CCCC(NC(=O)C1=CC=NC(N2CCCC2)=N1)C1=N[N-]N=N1	REAL000000003772	1	42	-1.0	-44.52	345.93	3.59	-40.93
CCCC(NC(=O)C1=CC=NC(N2CCCC2)=N1)C1=NNN=N1	REAL000000003772	1	43	0.0	-9.86	349.36	3.60	-6.26
CCCC(NC(=O)C1CCCN(CC(F)(F)F)C1)C1=NN=N[N-]1	REAL000000003773	0	43	-1.0	-48.52	352.08	2.64	-45.88
CCCC(NC(=O)C1CCCN(CC(F)(F)F)C1)C1=N[N-]N=N1	REAL000000003773	1	43	-1.0	-48.52	352.02	2.63	-45.89
CCCC(NC(=O)C1CCCN(CC(F)(F)F)C1)C1=NNN=N1	REAL000000003773	1	44	0.0	-8.99	340.76	1.73	-7.27
CCCC(NC(=O)C1=CC=CC(N2C=CN=N2)=C1)C1=NN=N[N-]1	REAL000000003774	0	38	-1.0	-60.22	326.69	3.56	-56.66
CCCC(NC(=O)C1=CC=CC(N2C=CN=N2)=C1)C1=N[N-]N=N1	REAL000000003774	1	38	-1.0	-60.22	326.64	3.55	-56.67
CCCC(NC(=O)C1=CC=CC(N2C=CN=N2)=C1)C1=NNN=N1	REAL000000003774	1	39	0.0	-23.19	330.12	3.57	-19.63
CCCC(NC(=O)C1=CC(Br)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000003775	0	35	-1.0	-42.29	334.69	5.27	-37.02
CCCC(NC(=O)C1=CC(Br)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000003775	1	35	-1.0	-42.29	334.63	5.27	-37.02
CCCC(NC(=O)C1=CC(Br)=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000003775	1	36	0.0	-9.47	338.06	5.28	-4.19
CCCC(NC(=O)CC1COC2=CC(OC)=CC=C21)C1=NN=N[N-]1	REAL000000003776	0	44	-1.0	-48.39	361.46	3.41	-44.98
CCCC(NC(=O)CC1COC2=CC(OC)=CC=C21)C1=N[N-]N=N1	REAL000000003776	1	44	-1.0	-48.40	361.40	3.41	-44.98
CCCC(NC(=O)CC1COC2=CC(OC)=CC=C21)C1=NNN=N1	REAL000000003776	1	45	0.0	-13.51	364.59	3.43	-10.08
CCCC(NC(=O)C1=C(C)N(C2CCCC2)N=C1)C1=NN=N[N-]1	REAL000000003777	0	45	-1.0	-46.91	360.38	4.81	-42.10
CCCC(NC(=O)C1=C(C)N(C2CCCC2)N=C1)C1=N[N-]N=N1	REAL000000003777	1	45	-1.0	-46.91	360.33	4.80	-42.11
CCCC(NC(=O)C1=C(C)N(C2CCCC2)N=C1)C1=NNN=N1	REAL000000003777	1	46	0.0	-11.38	363.76	4.82	-6.56
CCCC(NC(=O)C1=CN(C2=NC(CC)=CS2)N=C1)C1=NN=N[N-]1	REAL000000003778	0	41	-1.0	-49.38	365.65	4.33	-45.06
CCCC(NC(=O)C1=CN(C2=NC(CC)=CS2)N=C1)C1=N[N-]N=N1	REAL000000003778	1	41	-1.0	-49.38	365.59	4.32	-45.06
CCCC(NC(=O)C1=CN(C2=NC(CC)=CS2)N=C1)C1=NNN=N1	REAL000000003778	1	42	0.0	-13.10	361.82	4.01	-9.10
CCCC(NC(=O)C1=CNC2=CC=CC([N+](=O)[O-])=C12)C1=NN=N[N-]1	REAL000000003779	0	38	-1.0	-63.06	332.07	5.04	-58.02
CCCC(NC(=O)C1=CNC2=CC=CC([N+](=O)[O-])=C12)C1=N[N-]N=N1	REAL000000003779	1	38	-1.0	-63.07	332.01	5.04	-58.03
CCCC(NC(=O)C1=CNC2=CC=CC([N+](=O)[O-])=C12)C1=NNN=N1	REAL000000003779	1	39	0.0	-22.57	325.88	4.92	-17.65
CCCC(NC(=O)C(C)C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL000000003780	0	38	-1.0	-47.83	322.27	4.88	-42.95
CCCC(NC(=O)C(C)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL000000003780	1	38	-1.0	-47.82	322.21	4.88	-42.95
CCCC(NC(=O)C(C)C1=C(F)C=CC=C1F)C1=NNN=N1	REAL000000003780	1	39	0.0	-11.64	325.59	4.89	-6.75
CCCC(NC(=O)CC1=CC=CC(OCC#N)=C1)C1=NN=N[N-]1	REAL000000003781	0	40	-1.0	-50.78	349.68	4.33	-46.45
CCCC(NC(=O)CC1=CC=CC(OCC#N)=C1)C1=N[N-]N=N1	REAL000000003781	1	40	-1.0	-50.83	349.66	4.32	-46.51
CCCC(NC(=O)CC1=CC=CC(OCC#N)=C1)C1=NNN=N1	REAL000000003781	1	41	0.0	-14.57	345.90	4.00	-10.56
CCCC(NC(=O)C1=CSC(C2=CC=C(C)N2C)=N1)C1=NN=N[N-]1	REAL000000003782	0	42	-1.0	-49.88	363.56	4.10	-45.78
CCCC(NC(=O)C1=CSC(C2=CC=C(C)N2C)=N1)C1=N[N-]N=N1	REAL000000003782	1	42	-1.0	-49.89	363.50	4.09	-45.80
CCCC(NC(=O)C1=CSC(C2=CC=C(C)N2C)=N1)C1=NNN=N1	REAL000000003782	1	43	0.0	-12.16	366.93	4.10	-8.05
CCCC(NC(=O)C1=CC=C2C(=C1)CCC(=O)N2C)C1=NN=N[N-]1	REAL000000003783	0	43	-1.0	-48.21	350.06	4.55	-43.67
CCCC(NC(=O)C1=CC=C2C(=C1)CCC(=O)N2C)C1=N[N-]N=N1	REAL000000003783	1	43	-1.0	-48.22	350.00	4.54	-43.68
CCCC(NC(=O)C1=CC=C2C(=C1)CCC(=O)N2C)C1=NNN=N1	REAL000000003783	1	44	0.0	-14.61	354.26	4.59	-10.02
CCCC(NC(=O)C1=C(C)N(CCOC2CCCCO2)N=C1)C1=NN=N[N-]1	REAL000000003784	0	53	-1.0	-47.89	425.31	4.16	-43.73
CCCC(NC(=O)C1=C(C)N(CCOC2CCCCO2)N=C1)C1=N[N-]N=N1	REAL000000003784	1	53	-1.0	-47.89	425.25	4.15	-43.74
CCCC(NC(=O)C1=C(C)N(CCOC2CCCCO2)N=C1)C1=NNN=N1	REAL000000003784	1	54	0.0	-13.28	428.69	4.17	-9.11
CCCC(NC(=O)C1=CN=C2C=CC(F)=CC2=C1)C1=NN=N[N-]1	REAL000000003785	0	37	-1.0	-44.57	322.07	4.08	-40.49
CCCC(NC(=O)C1=CN=C2C=CC(F)=CC2=C1)C1=N[N-]N=N1	REAL000000003785	1	37	-1.0	-44.57	322.01	4.07	-40.50
CCCC(NC(=O)C1=CN=C2C=CC(F)=CC2=C1)C1=NNN=N1	REAL000000003785	1	38	0.0	-11.08	325.45	4.09	-6.99
CCCC(NC(=O)C1=CC=NC(OCC(F)F)=C1)C1=NN=N[N-]1	REAL000000003786	0	38	-1.0	-51.28	336.60	1.61	-49.67
CCCC(NC(=O)C1=CC=NC(OCC(F)F)=C1)C1=N[N-]N=N1	REAL000000003786	1	38	-1.0	-51.27	336.54	1.61	-49.67
CCCC(NC(=O)C1=CC=NC(OCC(F)F)=C1)C1=NNN=N1	REAL000000003786	1	39	0.0	-13.19	332.79	1.29	-11.89
CCCC(NC(=O)CCC1=CC(Br)=CC=C1F)C1=NN=N[N-]1	REAL000000003787	0	38	-1.0	-44.41	347.13	5.78	-38.63
CCCC(NC(=O)CCC1=CC(Br)=CC=C1F)C1=N[N-]N=N1	REAL000000003787	1	38	-1.0	-44.41	347.07	5.77	-38.63
CCCC(NC(=O)CCC1=CC(Br)=CC=C1F)C1=NNN=N1	REAL000000003787	1	39	0.0	-10.38	350.50	5.79	-4.59
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2Cl)C(C)=C1)C1=NN=N[N-]1	REAL000000003788	0	42	-1.0	-49.15	387.90	6.45	-42.70
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2Cl)C(C)=C1)C1=N[N-]N=N1	REAL000000003788	1	42	-1.0	-49.15	387.84	6.44	-42.72
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2Cl)C(C)=C1)C1=NNN=N1	REAL000000003788	1	43	0.0	-10.51	384.17	6.12	-4.38
CCCC(NC(=O)C1=NN(C(CC)CC)C(C)=C1)C1=NN=N[N-]1	REAL000000003789	0	47	-1.0	-50.45	380.00	4.99	-45.46
CCCC(NC(=O)C1=NN(C(CC)CC)C(C)=C1)C1=N[N-]N=N1	REAL000000003789	1	47	-1.0	-50.46	379.95	4.99	-45.47
CCCC(NC(=O)C1=NN(C(CC)CC)C(C)=C1)C1=NNN=N1	REAL000000003789	1	48	0.0	-12.03	383.89	5.00	-7.03
CCCC(NC(=O)C1=NN(C2CCCCC2)C(C)=C1)C1=NN=N[N-]1	REAL000000003790	0	48	-1.0	-50.08	383.13	5.37	-44.71
CCCC(NC(=O)C1=NN(C2CCCCC2)C(C)=C1)C1=N[N-]N=N1	REAL000000003790	1	48	-1.0	-50.09	383.07	5.36	-44.73
CCCC(NC(=O)C1=NN(C2CCCCC2)C(C)=C1)C1=NNN=N1	REAL000000003790	1	49	0.0	-11.57	386.51	5.38	-6.19
CCCC(NC(=O)C(C)CC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL000000003791	0	41	-1.0	-47.95	349.62	6.01	-41.94
CCCC(NC(=O)C(C)CC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL000000003791	1	41	-1.0	-47.95	349.57	6.00	-41.94
CCCC(NC(=O)C(C)CC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000003791	1	42	0.0	-7.33	345.77	5.69	-1.64
CCCC(NC(=O)CCCC(=O)C1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL000000003792	0	43	-1.0	-52.78	393.97	6.72	-46.06
CCCC(NC(=O)CCCC(=O)C1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL000000003792	1	43	-1.0	-52.78	393.92	6.72	-46.06
CCCC(NC(=O)CCCC(=O)C1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000003792	1	44	0.0	-17.50	397.35	6.73	-10.78
CCCC(NC(=O)C1=CC(N2CCCC2=O)=CC=C1Cl)C1=NN=N[N-]1	REAL000000003793	0	43	-1.0	-55.86	364.16	5.29	-50.57
CCCC(NC(=O)C1=CC(N2CCCC2=O)=CC=C1Cl)C1=N[N-]N=N1	REAL000000003793	1	43	-1.0	-55.86	364.10	5.29	-50.57
CCCC(NC(=O)C1=CC(N2CCCC2=O)=CC=C1Cl)C1=NNN=N1	REAL000000003793	1	44	0.0	-15.88	367.53	5.30	-10.57
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL000000003794	0	35	-1.0	-47.64	313.19	4.42	-43.21
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL000000003794	1	35	-1.0	-47.64	313.13	4.41	-43.22
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1F)C1=NNN=N1	REAL000000003794	1	36	0.0	-10.33	316.56	4.44	-5.90
CCCC(NC(=O)C1=C(C)N=C(COC)S1)C1=NN=N[N-]1	REAL000000003795	0	38	-1.0	-44.95	334.14	1.17	-43.78
CCCC(NC(=O)C1=C(C)N=C(COC)S1)C1=N[N-]N=N1	REAL000000003795	1	38	-1.0	-44.95	334.08	1.17	-43.78
CCCC(NC(=O)C1=C(C)N=C(COC)S1)C1=NNN=N1	REAL000000003795	1	39	0.0	-11.47	337.51	1.18	-10.29
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC(C)=C2)N1)C1=NN=N[N-]1	REAL000000003796	0	45	-1.0	-46.56	375.53	5.37	-41.19
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC(C)=C2)N1)C1=N[N-]N=N1	REAL000000003796	1	45	-1.0	-46.56	375.48	5.37	-41.19
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC(C)=C2)N1)C1=NNN=N1	REAL000000003796	1	46	0.0	-12.98	378.91	5.38	-7.60
CCCC(NC(=O)CS(=O)(=O)C(C)(C)C)C1=NN=N[N-]1	REAL000000003797	0	40	-1.0	-60.87	335.77	0.36	-60.51
CCCC(NC(=O)CS(=O)(=O)C(C)(C)C)C1=N[N-]N=N1	REAL000000003797	1	40	-1.0	-60.87	335.71	0.36	-60.51
CCCC(NC(=O)CS(=O)(=O)C(C)(C)C)C1=NNN=N1	REAL000000003797	1	41	0.0	-24.31	339.15	0.37	-23.94
CCCC(NC(=O)CSC1=CC=CC=C1OC)C1=NN=N[N-]1	REAL000000003798	0	40	-1.0	-50.52	346.20	4.14	-46.37
CCCC(NC(=O)CSC1=CC=CC=C1OC)C1=N[N-]N=N1	REAL000000003798	1	40	-1.0	-50.51	346.14	4.14	-46.36
CCCC(NC(=O)CSC1=CC=CC=C1OC)C1=NNN=N1	REAL000000003798	1	41	0.0	-15.37	349.58	4.15	-11.22
CCCC(NC(=O)C(C)CC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000003799	0	41	-1.0	-43.62	352.47	6.11	-37.51
CCCC(NC(=O)C(C)CC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000003799	1	41	-1.0	-43.62	352.41	6.10	-37.51
CCCC(NC(=O)C(C)CC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000003799	1	42	0.0	-9.98	355.85	6.12	-3.86
CCCC(NC(=O)C1=CC=C(OCC(F)F)N=C1)C1=NN=N[N-]1	REAL000000003800	0	38	-1.0	-46.86	336.33	1.62	-45.24
CCCC(NC(=O)C1=CC=C(OCC(F)F)N=C1)C1=N[N-]N=N1	REAL000000003800	1	38	-1.0	-46.86	336.27	1.61	-45.26
CCCC(NC(=O)C1=CC=C(OCC(F)F)N=C1)C1=NNN=N1	REAL000000003800	1	39	0.0	-13.85	339.71	1.63	-12.22
CCCC(NC(=O)C1=C(C)N(C2=CC=NC=C2)N=C1)C1=NN=N[N-]1	REAL000000003801	0	41	-1.0	-46.36	345.30	3.44	-42.92
CCCC(NC(=O)CC1=C(C)N(CC(F)(F)F)N=C1C)C1=NN=N[N-]1	REAL000000003802	0	44	-1.0	-47.95	378.83	4.31	-43.64
CCCC(NC(=O)CC1=C(C)N(CC(F)(F)F)N=C1C)C1=N[N-]N=N1	REAL000000003802	1	44	-1.0	-47.95	378.77	4.30	-43.65
CCCC(NC(=O)CC1=C(C)N(CC(F)(F)F)N=C1C)C1=NNN=N1	REAL000000003802	1	45	0.0	-15.57	382.21	4.32	-11.26
CCCC(NC(=O)C1=CC=C(I)C(O)=C1)C1=NN=N[N-]1	REAL000000003813	0	33	-1.0	-44.87	312.04	1.95	-42.92
CCCC(NC(=O)C1=CC=C(I)C(O)=C1)C1=N[N-]N=N1	REAL000000003813	1	33	-1.0	-44.87	311.98	1.94	-42.92
CCCC(NC(=O)C(CC)CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL000000003814	0	46	-1.0	-54.02	383.65	6.88	-47.14
CCCC(NC(=O)C(CC)CC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL000000003814	1	46	-1.0	-54.02	383.59	6.87	-47.15
CCCC(NC(=O)C(CC)CC1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000003814	1	47	0.0	-13.65	387.13	6.89	-6.76
CCCC(NC(=O)C(=O)C1=CC=CC=C1OC)C1=NN=N[N-]1	REAL000000003815	0	38	-1.0	-45.72	322.23	4.06	-41.66
CCCC(NC(=O)C(=O)C1=CC=CC=C1OC)C1=N[N-]N=N1	REAL000000003815	1	38	-1.0	-45.72	322.17	4.05	-41.67
CCCC(NC(=O)C(=O)C1=CC=CC=C1OC)C1=NNN=N1	REAL000000003815	1	39	0.0	-10.84	325.60	4.07	-6.77
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1)C1=NN=N[N-]1	REAL000000003816	0	39	-1.0	-46.20	345.49	4.86	-41.34
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1)C1=N[N-]N=N1	REAL000000003816	1	39	-1.0	-46.20	345.43	4.86	-41.35
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1)C1=NNN=N1	REAL000000003816	1	40	0.0	-10.63	348.86	4.87	-5.75
CCCC(NC(=O)C1(C[NH+](C)C)CCCCC1)C1=NN=N[N-]1	REAL000000003817	0	50	0.0	-70.02	360.44	5.35	-64.67
CCCC(NC(=O)C1(C[NH+](C)C)CCCCC1)C1=N[N-]N=N1	REAL000000003817	1	50	0.0	-69.98	360.37	5.35	-64.63
CCCC(NC(=O)C1(C[NH+](C)C)CCCCC1)C1=NNN=N1	REAL000000003817	1	51	1.0	-37.80	355.82	5.50	-32.30
CCCC(NC(=O)C1=C2SC=CC2=CC=C1)C1=NN=N[N-]1	REAL000000003818	0	35	-1.0	-51.08	308.83	5.00	-46.08
CCCC(NC(=O)C1=C2SC=CC2=CC=C1)C1=N[N-]N=N1	REAL000000003818	1	35	-1.0	-51.07	308.77	5.00	-46.07
CCCC(NC(=O)C1=C2SC=CC2=CC=C1)C1=NNN=N1	REAL000000003818	1	36	0.0	-10.11	305.02	4.68	-5.43
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CN=C1N)C1=NN=N[N-]1	REAL000000003819	0	35	-1.0	-40.71	308.01	1.64	-39.07
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CN=C1N)C1=N[N-]N=N1	REAL000000003819	1	35	-1.0	-40.71	307.95	1.63	-39.08
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CN=C1N)C1=NNN=N1	REAL000000003819	1	36	0.0	-9.87	311.43	1.65	-8.22
CCCC(NC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C)C1=NN=N[N-]1	REAL000000003820	0	46	-1.0	-46.28	361.99	4.96	-41.32
CCCC(NC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C)C1=N[N-]N=N1	REAL000000003820	1	46	-1.0	-46.28	361.93	4.95	-41.33
CCCC(NC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C)C1=NNN=N1	REAL000000003820	1	47	0.0	-11.25	365.49	4.97	-6.28
CCCC(NC(=O)CSC1=NC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL000000003821	0	41	-1.0	-46.81	371.67	3.42	-43.39
CCCC(NC(=O)CSC1=NC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL000000003821	1	41	-1.0	-46.80	371.62	3.41	-43.39
CCCC(NC(=O)CSC1=NC(C2=CC=CC=C2)=NO1)C1=NNN=N1	REAL000000003821	1	42	0.0	-14.65	375.05	3.43	-11.23
CCCC(NC(=O)C1=C2N=C(C3=CC=CS3)NC2=CC=C1)C1=NN=N[N-]1	REAL000000003822	0	42	-1.0	-61.67	371.32	5.33	-56.34
CCCC(NC(=O)C1=C2N=C(C3=CC=CS3)NC2=CC=C1)C1=N[N-]N=N1	REAL000000003822	1	42	-1.0	-61.68	371.26	5.33	-56.35
CCCC(NC(=O)C1=C2N=C(C3=CC=CS3)NC2=CC=C1)C1=NNN=N1	REAL000000003822	1	43	0.0	-16.48	367.49	5.01	-11.47
CCCC(NC(=O)C1=CC=CC(CNC2=CC=NC(C)=N2)=C1)C1=NN=N[N-]1	REAL000000003823	0	48	-1.0	-52.11	402.38	5.14	-46.97
CCCC(NC(=O)C1=CC=CC(CNC2=CC=NC(C)=N2)=C1)C1=N[N-]N=N1	REAL000000003823	1	48	-1.0	-52.11	402.32	5.13	-46.98
CCCC(NC(=O)C1=CC=CC(CNC2=CC=NC(C)=N2)=C1)C1=NNN=N1	REAL000000003823	1	49	0.0	-12.38	398.56	4.82	-7.57
CCCC(NC(=O)C1=CC=C(C2N=NC(=S)O2)C=C1)C1=NN=N[N-]1	REAL000000003824	0	38	-1.0	-45.97	346.00	-1.41	-47.38
CCCC(NC(=O)C1=CC=C(C2N=NC(=S)O2)C=C1)C1=N[N-]N=N1	REAL000000003824	1	38	-1.0	-45.97	345.94	-1.40	-47.38
CCCC(NC(=O)C1=CC=C(C2N=NC(=S)O2)C=C1)C1=NNN=N1	REAL000000003824	1	39	0.0	-10.21	342.20	-1.72	-11.93
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N)C1=NN=N[N-]1	REAL000000003825	0	36	-2.0	-89.23	317.48	1.63	-87.60
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N)C1=N[N-]N=N1	REAL000000003825	1	36	-2.0	-89.23	317.42	1.63	-87.61
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N)C1=NNN=N1	REAL000000003825	1	37	-1.0	-45.99	321.47	1.63	-44.36
CCCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=NN=N[N-]1	REAL000000003826	0	32	-2.0	-88.92	303.98	2.22	-86.70
CCCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=N[N-]N=N1	REAL000000003826	1	32	-2.0	-88.92	303.92	2.21	-86.71
CCCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=NNN=N1	REAL000000003826	1	33	-1.0	-43.01	307.36	2.22	-40.78
CCCC(NC(=O)CC[N@H+](C)C1CCCCC1)C1=NN=N[N-]1	REAL000000003827	0	50	0.0	-59.13	372.97	5.67	-53.46
CCCC(NC(=O)CC[N@@H+](C)C1CCCCC1)C1=NN=N[N-]1	REAL000000003827	1	50	0.0	-59.89	372.97	5.67	-54.22
CCCC(NC(=O)CC[N@H+](C)C1CCCCC1)C1=N[N-]N=N1	REAL000000003827	1	50	0.0	-59.12	372.91	5.66	-53.46
CCCC(NC(=O)CC[N@@H+](C)C1CCCCC1)C1=N[N-]N=N1	REAL000000003827	1	50	0.0	-59.88	372.91	5.66	-54.22
CCCC(NC(=O)CC[N@H+](C)C1CCCCC1)C1=NNN=N1	REAL000000003827	1	51	1.0	-42.60	376.33	5.68	-36.92
CCCC(NC(=O)CC[N@@H+](C)C1CCCCC1)C1=NNN=N1	REAL000000003827	1	51	1.0	-42.40	376.34	5.68	-36.72
CCCC(NC(=O)COC1CCCCC1CC)C1=NN=N[N-]1	REAL000000003828	0	48	-1.0	-48.44	373.31	5.64	-42.80
CCCC(NC(=O)COC1CCCCC1CC)C1=N[N-]N=N1	REAL000000003828	1	48	-1.0	-48.43	373.25	5.63	-42.80
CCCC(NC(=O)COC1CCCCC1CC)C1=NNN=N1	REAL000000003828	1	49	0.0	-12.35	376.68	5.65	-6.70
CCCC(NC(=O)C(=O)C1=CC=C(OC)C(Cl)=C1)C1=NN=N[N-]1	REAL000000003829	0	38	-1.0	-43.49	340.27	3.36	-40.13
CCCC(NC(=O)C(=O)C1=CC=C(OC)C(Cl)=C1)C1=N[N-]N=N1	REAL000000003829	1	38	-1.0	-43.50	340.21	3.35	-40.15
CCCC(NC(=O)C(=O)C1=CC=C(OC)C(Cl)=C1)C1=NNN=N1	REAL000000003829	1	39	0.0	-9.67	343.65	3.37	-6.30
CCCC(NC(=O)C1=CN(C2=CN(C)N=C2)C(=O)C=C1)C1=NN=N[N-]1	REAL000000003830	0	42	-1.0	-47.13	354.47	3.45	-43.67
CCCC(NC(=O)C1=CN(C2=CN(C)N=C2)C(=O)C=C1)C1=N[N-]N=N1	REAL000000003830	1	42	-1.0	-47.13	354.41	3.46	-43.67
CCCC(NC(=O)C1=CN(C2=CN(C)N=C2)C(=O)C=C1)C1=NNN=N1	REAL000000003830	1	43	0.0	-12.84	350.66	3.13	-9.71
CCCC(NC(=O)CCCC(=O)C1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL000000003831	0	49	-1.0	-60.07	406.54	4.91	-55.16
CCCC(NC(=O)CCCC(=O)C1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL000000003831	1	49	-1.0	-60.06	406.48	4.90	-55.16
CCCC(NC(=O)CCCC(=O)C1=CC=C2OCCOC2=C1)C1=NNN=N1	REAL000000003831	1	50	0.0	-20.21	402.73	4.59	-15.63
CCCC(NC(=O)C1=CC=NC(CNC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000003832	0	51	-1.0	-48.15	417.61	2.23	-45.93
CCCC(NC(=O)C1=CC=NC(CNC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000003832	1	51	-1.0	-48.15	417.55	2.23	-45.92
CCCC(NC(=O)C1=CC=NC(CNC(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000003832	1	52	0.0	-15.10	420.99	2.24	-12.86
CCCC(NC(=O)C1=NOC(COC2=CC=CC=C2F)=C1)C1=NN=N[N-]1	REAL000000003833	0	42	-1.0	-51.43	371.09	4.43	-47.00
CCCC(NC(=O)C1=NOC(COC2=CC=CC=C2F)=C1)C1=N[N-]N=N1	REAL000000003833	1	42	-1.0	-51.43	371.04	4.42	-47.01
CCCC(NC(=O)C1=NOC(COC2=CC=CC=C2F)=C1)C1=NNN=N1	REAL000000003833	1	43	0.0	-14.30	374.47	4.44	-9.86
CCCC(NC(=O)C1=CC=NC(OC2CCOC2)=C1)C1=NN=N[N-]1	REAL000000003834	0	43	-1.0	-48.25	358.36	0.93	-47.31
CCCC(NC(=O)C1=CC=NC(OC2CCOC2)=C1)C1=N[N-]N=N1	REAL000000003834	1	43	-1.0	-48.25	358.30	0.94	-47.31
CCCC(NC(=O)C1=CC=NC(OC2CCOC2)=C1)C1=NNN=N1	REAL000000003834	1	44	0.0	-14.75	361.74	0.94	-13.81
CCCC(NC(=O)CCCC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000003835	0	44	-1.0	-47.23	380.61	6.90	-40.33
CCCC(NC(=O)CCCC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000003835	1	44	-1.0	-47.23	380.55	6.90	-40.33
CCCC(NC(=O)CCCC1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000003835	1	45	0.0	-13.09	383.99	6.91	-6.19
CCCC(NC(=O)C1=NN(C)C(OC(F)F)=C1)C1=NN=N[N-]1	REAL000000003836	0	36	-1.0	-50.88	322.05	0.33	-50.56
CCCC(NC(=O)C1=NN(C)C(OC(F)F)=C1)C1=N[N-]N=N1	REAL000000003836	1	36	-1.0	-50.88	321.99	0.32	-50.57
CCCC(NC(=O)C1=NN(C)C(OC(F)F)=C1)C1=NNN=N1	REAL000000003836	1	37	0.0	-12.13	318.24	0.00	-12.13
CCCC(NC(=O)CC(C)(C)CC(=O)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000003837	0	52	-1.0	-53.20	405.89	7.44	-45.76
CCCC(NC(=O)CC(C)(C)CC(=O)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000003837	1	52	-1.0	-53.19	405.83	7.44	-45.75
CCCC(NC(=O)CC(C)(C)CC(=O)C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000003837	1	53	0.0	-16.82	409.26	7.45	-9.38
CCCC(NC(=O)C1=C(C)C(C2=CC=CC=C2)=NN1)C1=NN=N[N-]1	REAL000000003838	0	42	-1.0	-44.63	351.60	4.24	-40.39
CCCC(NC(=O)C1=C(C)C(C2=CC=CC=C2)=NN1)C1=N[N-]N=N1	REAL000000003838	1	42	-1.0	-44.63	351.55	4.23	-40.40
CCCC(NC(=O)C1=C(C)C(C2=CC=CC=C2)=NN1)C1=NNN=N1	REAL000000003838	1	43	0.0	-11.65	354.97	4.25	-7.40
CCCC(NC(=O)CNC(=O)C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL000000003839	0	40	-1.0	-44.76	354.13	2.53	-42.23
CCCC(NC(=O)CNC(=O)C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL000000003839	1	40	-1.0	-44.76	354.07	2.53	-42.23
CCCC(NC(=O)CNC(=O)C1=CC=C(C#N)C=C1)C1=NNN=N1	REAL000000003839	1	41	0.0	-13.89	357.51	2.54	-11.35
CCCC(NC(=O)CN1C(C)=CC(C)=NC1=O)C1=NN=N[N-]1	REAL000000003840	0	40	-1.0	-68.50	336.76	1.81	-66.69
CCCC(NC(=O)CN1C(C)=CC(C)=NC1=O)C1=N[N-]N=N1	REAL000000003840	1	40	-1.0	-68.49	336.70	1.81	-66.68
CCCC(NC(=O)CN1C(C)=CC(C)=NC1=O)C1=NNN=N1	REAL000000003840	1	41	0.0	-28.20	340.13	1.82	-26.38
CCCC(NC(=O)C1=CC(Br)=C(C)NC1=O)C1=NN=N[N-]1	REAL000000003841	0	35	-1.0	-52.60	315.77	1.96	-50.64
CCCC(NC(=O)C1=CC(Br)=C(C)NC1=O)C1=N[N-]N=N1	REAL000000003841	1	35	-1.0	-52.61	315.71	1.95	-50.65
CCCC(NC(=O)C1=CC(Br)=C(C)NC1=O)C1=NNN=N1	REAL000000003841	1	36	0.0	-13.82	319.29	1.97	-11.85
CCCC(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1=NN=N[N-]1	REAL000000003842	0	40	-2.0	-90.28	344.07	0.93	-89.35
CCCC(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1=N[N-]N=N1	REAL000000003842	1	40	-2.0	-90.29	344.01	0.92	-89.37
CCCC(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1=NNN=N1	REAL000000003842	1	41	-1.0	-39.02	341.32	0.16	-38.86
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)NCC)C=C1)C1=NN=N[N-]1	REAL000000003843	0	46	-1.0	-53.24	396.63	1.35	-51.89
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)NCC)C=C1)C1=N[N-]N=N1	REAL000000003843	1	46	-1.0	-53.23	396.57	1.34	-51.90
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)NCC)C=C1)C1=NNN=N1	REAL000000003843	1	47	0.0	-18.81	400.00	1.36	-17.46
CCCC(NC(=O)C1=CC=CC(I)=C1[O-])C1=NN=N[N-]1	REAL000000003844	0	32	-2.0	-107.19	306.32	4.29	-102.90
CCCC(NC(=O)C1=CC=CC(I)=C1[O-])C1=N[N-]N=N1	REAL000000003844	1	32	-2.0	-107.19	306.26	4.30	-102.90
CCCC(NC(=O)CC1=CC=C2COCC2=C1)C1=NN=N[N-]1	REAL000000003845	0	40	-1.0	-47.46	334.95	3.62	-43.85
CCCC(NC(=O)CC1=CC=C2COCC2=C1)C1=N[N-]N=N1	REAL000000003845	1	40	-1.0	-47.46	334.89	3.61	-43.85
CCCC(NC(=O)CC1=CC=C2COCC2=C1)C1=NNN=N1	REAL000000003845	1	41	0.0	-13.45	338.33	3.63	-9.82
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)NC)C=C1)C1=NN=N[N-]1	REAL000000003846	0	43	-1.0	-53.61	375.59	0.50	-53.12
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)NC)C=C1)C1=N[N-]N=N1	REAL000000003846	1	43	-1.0	-53.60	375.53	0.50	-53.11
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)NC)C=C1)C1=NNN=N1	REAL000000003846	1	44	0.0	-16.38	371.77	0.18	-16.20
CCCC(NC(=O)C(C)=CC1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL000000003847	0	39	-1.0	-48.11	352.82	6.33	-41.78
CCCC(NC(=O)C(C)=CC1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL000000003847	1	39	-1.0	-48.10	352.77	6.33	-41.77
CCCC(NC(=O)C(C)=CC1=C(Cl)C=CC=C1Cl)C1=NNN=N1	REAL000000003847	1	40	0.0	-11.14	356.20	6.34	-4.81
CCCC(NC(=O)C1=CC(C)=CC(Br)=C1)C1=NN=N[N-]1	REAL000000003848	0	35	-1.0	-44.15	317.05	4.94	-39.21
CCCC(NC(=O)C1=CC(C)=CC(Br)=C1)C1=N[N-]N=N1	REAL000000003848	1	35	-1.0	-44.15	317.00	4.93	-39.22
CCCC(NC(=O)C1=CC(C)=CC(Br)=C1)C1=NNN=N1	REAL000000003848	1	36	0.0	-9.08	320.43	4.95	-4.14
CCCC(NC(=O)C(C)C1=CC=C([N+](=O)[O-])C=C1F)C1=NN=N[N-]1	REAL000000003849	0	40	-1.0	-42.28	348.17	5.57	-36.71
CCCC(NC(=O)C(C)C1=CC=C([N+](=O)[O-])C=C1F)C1=N[N-]N=N1	REAL000000003849	1	40	-1.0	-42.28	348.11	5.57	-36.70
CCCC(NC(=O)C(C)C1=CC=C([N+](=O)[O-])C=C1F)C1=NNN=N1	REAL000000003849	1	41	0.0	-11.51	351.55	5.58	-5.93
CCCC(NC(=O)C1=CC=C2N=NN(C)C2=C1)C1=NN=N[N-]1	REAL000000003850	0	37	-1.0	-46.46	317.37	2.23	-44.23
CCCC(NC(=O)C1=CC=C2N=NN(C)C2=C1)C1=N[N-]N=N1	REAL000000003850	1	37	-1.0	-46.45	317.31	2.23	-44.22
CCCC(NC(=O)C1=CC=C2N=NN(C)C2=C1)C1=NNN=N1	REAL000000003850	1	38	0.0	-14.84	320.74	2.24	-12.60
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000003851	0	42	-1.0	-55.80	365.63	6.25	-49.55
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000003851	1	42	-1.0	-55.81	365.57	6.25	-49.56
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)C1=NNN=N1	REAL000000003851	1	43	0.0	-14.73	361.83	5.92	-8.81
CCCC(NC(=O)C(C)CC(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000003852	0	43	-1.0	-43.29	372.65	6.09	-37.19
CCCC(NC(=O)C(C)CC(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000003852	1	43	-1.0	-43.29	372.60	6.09	-37.20
CCCC(NC(=O)C(C)CC(=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000003852	1	44	0.0	-9.80	376.03	6.10	-3.70
CCCC(NC(=O)CC1=CC(Cl)=CC2=C1OCC2)C1=NN=N[N-]1	REAL000000003853	0	40	-1.0	-48.35	351.53	4.68	-43.66
CCCC(NC(=O)CC1=CC(Cl)=CC2=C1OCC2)C1=N[N-]N=N1	REAL000000003853	1	40	-1.0	-48.35	351.48	4.67	-43.68
CCCC(NC(=O)CC1=CC(Cl)=CC2=C1OCC2)C1=NNN=N1	REAL000000003853	1	41	0.0	-10.01	347.72	4.36	-5.66
CCCC(NC(=O)CC(C)(C)CC(=O)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000003854	0	53	-1.0	-54.29	413.78	6.10	-48.19
CCCC(NC(=O)CC(C)(C)CC(=O)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000003854	1	53	-1.0	-54.28	413.72	6.10	-48.18
CCCC(NC(=O)CC(C)(C)CC(=O)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000003854	1	54	0.0	-18.27	417.16	6.10	-12.16
CCCC(NC(=O)C1=COC(C2CCOCC2)=N1)C1=NN=N[N-]1	REAL000000003855	0	42	-1.0	-45.07	350.23	-0.13	-45.20
CCCC(NC(=O)C1=COC(C2CCOCC2)=N1)C1=N[N-]N=N1	REAL000000003855	1	42	-1.0	-45.07	350.17	-0.14	-45.21
CCCC(NC(=O)C1=COC(C2CCOCC2)=N1)C1=NNN=N1	REAL000000003855	1	43	0.0	-10.36	353.60	-0.12	-10.48
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1[O-])C1=NN=N[N-]1	REAL000000003856	0	43	-2.0	-111.03	375.13	1.21	-109.82
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1[O-])C1=N[N-]N=N1	REAL000000003856	1	43	-2.0	-111.04	375.08	1.20	-109.84
CCCC(NC(=O)C1=CC=C(OC2CCCC2)N=C1)C1=NN=N[N-]1	REAL000000003857	0	45	-1.0	-44.19	367.28	3.54	-40.65
CCCC(NC(=O)C1=CC=C(OC2CCCC2)N=C1)C1=N[N-]N=N1	REAL000000003857	1	45	-1.0	-44.19	367.22	3.54	-40.65
CCCC(NC(=O)C1=CC=C(OC2CCCC2)N=C1)C1=NNN=N1	REAL000000003857	1	46	0.0	-7.56	363.48	3.22	-4.34
CCCC(NC(=O)C1=C(C)OC(C2=CC=C(Cl)C(Cl)=C2)=N1)C1=NN=N[N-]1	REAL000000003858	0	41	-1.0	-42.76	385.96	3.93	-38.84
CCCC(NC(=O)C1=C(C)OC(C2=CC=C(Cl)C(Cl)=C2)=N1)C1=N[N-]N=N1	REAL000000003858	1	41	-1.0	-42.76	385.90	3.92	-38.85
CCCC(NC(=O)C1=C(C)OC(C2=CC=C(Cl)C(Cl)=C2)=N1)C1=NNN=N1	REAL000000003858	1	42	0.0	-9.07	387.77	3.91	-5.16
CCCC(NC(=O)CCCCC(=O)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000003859	0	50	-1.0	-48.77	412.89	5.85	-42.92
CCCC(NC(=O)CCCCC(=O)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000003859	1	50	-1.0	-48.76	412.84	5.85	-42.91
CCCC(NC(=O)CCCCC(=O)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000003859	1	51	0.0	-12.54	409.08	5.54	-7.00
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)C(C)C)C=C1)C1=NN=N[N-]1	REAL000000003860	0	47	-1.0	-55.29	398.80	3.36	-51.93
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)C(C)C)C=C1)C1=N[N-]N=N1	REAL000000003860	1	47	-1.0	-55.29	398.74	3.35	-51.95
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)C(C)C)C=C1)C1=NNN=N1	REAL000000003860	1	48	0.0	-20.14	402.20	3.37	-16.78
CCCC(NC(=O)C1=CC(C)=C(C)C=C1Cl)C1=NN=N[N-]1	REAL000000003861	0	38	-1.0	-48.08	325.94	5.42	-42.66
CCCC(NC(=O)C1=CC(C)=C(C)C=C1Cl)C1=N[N-]N=N1	REAL000000003861	1	38	-1.0	-48.08	325.88	5.41	-42.67
CCCC(NC(=O)C1=CC(C)=C(C)C=C1Cl)C1=NNN=N1	REAL000000003861	1	39	0.0	-11.73	329.32	5.43	-6.30
CCCC(NC(=O)C(=O)C1=CC(F)=CC=C1C)C1=NN=N[N-]1	REAL000000003862	0	37	-1.0	-43.85	317.52	4.23	-39.61
CCCC(NC(=O)C(=O)C1=CC(F)=CC=C1C)C1=N[N-]N=N1	REAL000000003862	1	37	-1.0	-43.84	317.46	4.22	-39.62
CCCC(NC(=O)C(=O)C1=CC(F)=CC=C1C)C1=NNN=N1	REAL000000003862	1	38	0.0	-8.85	320.89	4.24	-4.61
CCCC(NC(=O)CC1CCOC(C(C)C)C1)C1=NN=N[N-]1	REAL000000003863	0	48	-1.0	-45.42	368.83	4.34	-41.08
CCCC(NC(=O)CC1CCOC(C(C)C)C1)C1=N[N-]N=N1	REAL000000003863	1	48	-1.0	-45.42	368.77	4.33	-41.09
CCCC(NC(=O)CC1CCOC(C(C)C)C1)C1=NNN=N1	REAL000000003863	1	49	0.0	-7.34	365.02	4.03	-3.31
CCCC(NC(=O)CNC(=O)C1=C(C)OC=C1)C1=NN=N[N-]1	REAL000000003864	0	39	-1.0	-45.28	335.00	0.92	-44.36
CCCC(NC(=O)CNC(=O)C1=C(C)OC=C1)C1=N[N-]N=N1	REAL000000003864	1	39	-1.0	-45.28	334.94	0.92	-44.35
CCCC(NC(=O)CNC(=O)C1=C(C)OC=C1)C1=NNN=N1	REAL000000003864	1	40	0.0	-12.62	338.37	0.93	-11.69
CCCC(NC(=O)CSC1=NN=C2C=CC=CN21)C1=NN=N[N-]1	REAL000000003865	0	38	-1.0	-51.80	342.81	5.29	-46.51
CCCC(NC(=O)CSC1=NN=C2C=CC=CN21)C1=N[N-]N=N1	REAL000000003865	1	38	-1.0	-51.80	342.75	5.29	-46.51
CCCC(NC(=O)CSC1=NN=C2C=CC=CN21)C1=NNN=N1	REAL000000003865	1	39	0.0	-17.85	346.19	5.30	-12.55
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1=NN=N[N-]1	REAL000000003866	0	42	-2.0	-124.49	372.45	4.32	-120.17
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1=N[N-]N=N1	REAL000000003866	1	42	-2.0	-124.50	372.39	4.32	-120.18
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1=NNN=N1	REAL000000003866	1	43	-1.0	-62.67	375.82	4.33	-58.34
CCCC(NC(=O)C1=CC=C(C2=CC=C(C)O2)S1)C1=NN=N[N-]1	REAL000000003867	0	39	-1.0	-46.39	351.00	5.37	-41.01
CCCC(NC(=O)C1=CC=C(C2=CC=C(C)O2)S1)C1=N[N-]N=N1	REAL000000003867	1	39	-1.0	-46.39	350.94	5.38	-41.01
CCCC(NC(=O)C1=CC=C(C2=CC=C(C)O2)S1)C1=NNN=N1	REAL000000003867	1	40	0.0	-11.36	354.38	5.39	-5.98
CCCC(NC(=O)C1=CN(CC2(C)COC2)N=N1)C1=NN=N[N-]1	REAL000000003869	0	42	-1.0	-47.70	350.46	0.69	-47.01
CCCC(NC(=O)C1=CN(CC2(C)COC2)N=N1)C1=N[N-]N=N1	REAL000000003869	1	42	-1.0	-47.70	350.40	0.69	-47.01
CCCC(NC(=O)C1=CN(CC2(C)COC2)N=N1)C1=NNN=N1	REAL000000003869	1	43	0.0	-13.79	353.83	0.69	-13.10
CCCC(NC(=O)C1=CC2=C(C=C1OC)OCO2)C1=NN=N[N-]1	REAL000000003870	0	39	-1.0	-49.46	327.67	2.88	-46.58
CCCC(NC(=O)C1=CC2=C(C=C1OC)OCO2)C1=N[N-]N=N1	REAL000000003870	1	39	-1.0	-49.46	327.61	2.87	-46.58
CCCC(NC(=O)C1=CC2=C(C=C1OC)OCO2)C1=NNN=N1	REAL000000003870	1	40	0.0	-10.43	323.84	2.45	-7.98
CCCC(NC(=O)C1=CC=C(OC)C(N2C=NN=N2)=C1)C1=NN=N[N-]1	REAL000000003871	0	41	-1.0	-49.45	349.67	3.38	-46.07
CCCC(NC(=O)C1=CC=C(OC)C(N2C=NN=N2)=C1)C1=N[N-]N=N1	REAL000000003871	1	41	-1.0	-49.45	349.62	3.38	-46.06
CCCC(NC(=O)C1=CC=C(OC)C(N2C=NN=N2)=C1)C1=NNN=N1	REAL000000003871	1	42	0.0	-15.71	345.85	3.07	-12.64
CCCC(NC(=O)C(Br)C(C)(C)C)C1=NN=N[N-]1	REAL000000003872	0	37	-1.0	-43.81	309.68	3.54	-40.27
CCCC(NC(=O)C(Br)C(C)(C)C)C1=N[N-]N=N1	REAL000000003872	1	37	-1.0	-43.81	309.63	3.54	-40.27
CCCC(NC(=O)C(Br)C(C)(C)C)C1=NNN=N1	REAL000000003872	1	38	0.0	-6.38	307.56	3.22	-3.16
CCCC(NC(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000003873	0	34	-2.0	-91.81	307.74	3.40	-88.41
CCCC(NC(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000003873	1	34	-2.0	-91.80	307.69	3.40	-88.40
CCCC(NC(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000003873	1	35	-1.0	-44.40	303.92	3.08	-41.33
CCCC(NC(=O)C1=CC(F)=C(F)C([O-])=C1F)C1=NN=N[N-]1	REAL000000003874	0	32	-2.0	-96.30	298.63	1.78	-94.52
CCCC(NC(=O)C1=CC(F)=C(F)C([O-])=C1F)C1=N[N-]N=N1	REAL000000003874	1	32	-2.0	-96.30	298.57	1.77	-94.53
CCCC(NC(=O)C1=CC(F)=C(F)C([O-])=C1F)C1=NNN=N1	REAL000000003874	1	33	-1.0	-50.03	302.01	1.79	-48.24
CCCC(NC(=O)C1=CC=C(O)C(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000003875	0	43	-1.0	-49.18	362.82	4.65	-44.53
CCCC(NC(=O)C1=CC=C(O)C(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000003875	1	43	-1.0	-49.18	362.76	4.64	-44.54
CCCC(NC(=O)C1=CC=C(O)C(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000003875	1	44	0.0	-14.25	366.20	4.66	-9.60
CCCC(NC(=O)C1CCN(C2=CC=C3C=CC=C(O)C3=N2)CC1)C1=NN=N[N-]1	REAL000000003876	0	53	-1.0	-53.80	423.29	3.59	-50.22
CCCC(NC(=O)C1CCN(C2=CC=C3C=CC=C(O)C3=N2)CC1)C1=N[N-]N=N1	REAL000000003876	1	53	-1.0	-53.80	423.23	3.59	-50.21
CCCC(NC(=O)C1CCN(C2=CC=C3C=CC=C(O)C3=N2)CC1)C1=NNN=N1	REAL000000003876	1	54	0.0	-14.84	419.48	3.27	-11.57
CCCC(NC(=O)CNC(=O)CC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL000000003877	0	43	-1.0	-46.79	368.97	-0.04	-46.83
CCCC(NC(=O)CNC(=O)CC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL000000003877	1	43	-1.0	-46.79	368.91	-0.05	-46.83
CCCC(NC(=O)CNC(=O)CC1=CC=C(O)C=C1)C1=NNN=N1	REAL000000003877	1	44	0.0	-15.12	372.35	-0.03	-15.15
CCCC(NC(=O)CCNC(=O)C1=CC=C(C)C=C1O)C1=NN=N[N-]1	REAL000000003878	0	46	-1.0	-56.97	385.69	2.00	-54.97
CCCC(NC(=O)CCNC(=O)C1=CC=C(C)C=C1O)C1=N[N-]N=N1	REAL000000003878	1	46	-1.0	-56.96	385.63	2.00	-54.96
CCCC(NC(=O)CCNC(=O)C1=CC=C(C)C=C1O)C1=NNN=N1	REAL000000003878	1	47	0.0	-22.25	389.07	2.01	-20.25
CCCC(NC(=O)CCCC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL000000003879	0	42	-1.0	-49.21	352.90	3.05	-46.15
CCCC(NC(=O)CCCC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL000000003879	1	42	-1.0	-49.20	352.84	3.04	-46.16
CCCC(NC(=O)CCCC1=CC=C(O)C=C1)C1=NNN=N1	REAL000000003879	1	43	0.0	-11.15	349.10	2.73	-8.43
CCCCC(ON=C(C)C)C(=O)NC(CCC)C1=NN=N[N-]1	REAL000000003880	0	47	-1.0	-49.62	382.99	5.81	-43.81
CCCCC(ON=C(C)C)C(=O)NC(CCC)C1=N[N-]N=N1	REAL000000003880	1	47	-1.0	-49.61	382.93	5.81	-43.80
CCCCC(ON=C(C)C)C(=O)NC(CCC)C1=NNN=N1	REAL000000003880	1	48	0.0	-13.04	386.58	5.82	-7.21
CCCC(NC(=O)C1=C2C=CC=CC2=NC(N(C)C)=C1)C1=NN=N[N-]1	REAL000000003881	0	45	-1.0	-48.09	364.41	5.71	-42.38
CCCC(NC(=O)C1=C2C=CC=CC2=NC(N(C)C)=C1)C1=N[N-]N=N1	REAL000000003881	1	45	-1.0	-48.09	364.35	5.72	-42.37
CCCC(NC(=O)C1=C2C=CC=CC2=NC(N(C)C)=C1)C1=NNN=N1	REAL000000003881	1	46	0.0	-13.72	368.16	5.69	-8.03
CCCC(NC(=O)CSC1=NC(C2=CC=CC(OC)=C2)=NO1)C1=NN=N[N-]1	REAL000000003882	0	45	-1.0	-48.03	401.15	2.73	-45.30
CCCC(NC(=O)CSC1=NC(C2=CC=CC(OC)=C2)=NO1)C1=N[N-]N=N1	REAL000000003882	1	45	-1.0	-48.02	401.09	2.72	-45.30
CCCC(NC(=O)CSC1=NC(C2=CC=CC(OC)=C2)=NO1)C1=NNN=N1	REAL000000003882	1	46	0.0	-15.97	404.53	2.74	-13.24
CCCC(NC(=O)C1=C(C)N(C2CCCCC2)N=C1)C1=NN=N[N-]1	REAL000000003883	0	48	-1.0	-46.50	378.96	5.34	-41.16
CCCC(NC(=O)C1=C(C)N(C2CCCCC2)N=C1)C1=N[N-]N=N1	REAL000000003883	1	48	-1.0	-46.50	378.90	5.33	-41.17
CCCC(NC(=O)C1=C(C)N(C2CCCCC2)N=C1)C1=NNN=N1	REAL000000003883	1	49	0.0	-11.05	382.34	5.35	-5.70
CCCC(NC(=O)C(C)CC1=CC=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL000000003884	0	49	-1.0	-47.05	394.48	4.82	-42.23
CCCC(NC(=O)C(C)CC1=CC=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL000000003884	1	49	-1.0	-47.05	394.42	4.82	-42.23
CCCC(NC(=O)C(C)CC1=CC=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000003884	1	50	0.0	-13.55	397.86	4.84	-8.71
CCCC(NC(=O)C1CC(C2=CC=CC=C2[N+](=O)[O-])=NO1)C1=NN=N[N-]1	REAL000000003885	0	42	-1.0	-52.80	365.34	5.25	-47.55
CCCC(NC(=O)C1CC(C2=CC=CC=C2[N+](=O)[O-])=NO1)C1=N[N-]N=N1	REAL000000003885	1	42	-1.0	-52.81	365.28	5.24	-47.57
CCCC(NC(=O)C1CC(C2=CC=CC=C2[N+](=O)[O-])=NO1)C1=NNN=N1	REAL000000003885	1	43	0.0	-18.26	368.72	5.26	-13.00
CCCC(NC(=O)C1=CC(OC)=C(C(C)C)C(OC)=C1)C1=NN=N[N-]1	REAL000000003886	0	49	-1.0	-45.92	386.77	4.67	-41.24
CCCC(NC(=O)C1=CC(OC)=C(C(C)C)C(OC)=C1)C1=N[N-]N=N1	REAL000000003886	1	49	-1.0	-45.91	386.72	4.67	-41.24
CCCC(NC(=O)C1=CC(OC)=C(C(C)C)C(OC)=C1)C1=NNN=N1	REAL000000003886	1	50	0.0	-11.68	390.15	4.68	-6.99
CCCC(NC(=O)CCC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000003887	0	42	-1.0	-54.67	368.14	6.16	-48.51
CCCC(NC(=O)CCC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000003887	1	42	-1.0	-54.66	368.08	6.16	-48.50
CCCC(NC(=O)CCC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])C1=NNN=N1	REAL000000003887	1	43	0.0	-15.87	371.52	6.17	-9.70
CCCC(NC(=O)C1=CC=C(C2=NN(C)C=N2)C=C1)C1=NN=N[N-]1	REAL000000003888	0	41	-1.0	-52.12	352.41	5.76	-46.37
CCCC(NC(=O)C1=CC=C(C2=NN(C)C=N2)C=C1)C1=N[N-]N=N1	REAL000000003888	1	41	-1.0	-52.12	352.35	5.75	-46.37
CCCC(NC(=O)C1=CC=C(C2=NN(C)C=N2)C=C1)C1=NNN=N1	REAL000000003888	1	42	0.0	-16.86	355.79	5.77	-11.09
CCCC(NC(=O)CC(C)(O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000003889	0	42	-1.0	-47.23	340.44	3.33	-43.90
CCCC(NC(=O)CC(C)(O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000003889	1	42	-1.0	-47.23	340.39	3.32	-43.91
CCCC(NC(=O)CC(C)(O)C1=CC=CC=C1)C1=NNN=N1	REAL000000003889	1	43	0.0	-10.04	342.60	3.37	-6.67
CCCC(NC(=O)C1=C(Br)N(C)N=C1)C1=NN=N[N-]1	REAL000000003890	0	32	-1.0	-45.62	296.85	1.83	-43.79
CCCC(NC(=O)C1=C(Br)N(C)N=C1)C1=N[N-]N=N1	REAL000000003890	1	32	-1.0	-45.62	296.79	1.83	-43.80
CCCC(NC(=O)C1=C(Br)N(C)N=C1)C1=NNN=N1	REAL000000003890	1	33	0.0	-11.57	300.23	1.84	-9.73
CCCC(NC(=O)C1=C(Br)N(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL000000003891	0	39	-1.0	-47.50	351.44	5.14	-42.36
CCCC(NC(=O)C1=C(Br)N(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL000000003891	1	39	-1.0	-47.50	351.38	5.13	-42.36
CCCC(NC(=O)C1=C(Br)N(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000003891	1	40	0.0	-12.99	354.77	5.14	-7.85
CCCC(NC(=O)C1=CC2=C(C=N1)OCCC2)C1=NN=N[N-]1	REAL000000003892	0	39	-1.0	-47.02	325.26	2.53	-44.49
CCCC(NC(=O)C1=CC2=C(C=N1)OCCC2)C1=N[N-]N=N1	REAL000000003892	1	39	-1.0	-47.02	325.20	2.52	-44.50
CCCC(NC(=O)C1=CC2=C(C=N1)OCCC2)C1=NNN=N1	REAL000000003892	1	40	0.0	-10.21	328.62	2.58	-7.63
CCCC(NC(=O)CCC1=CC=C(Br)C=C1OC)C1=NN=N[N-]1	REAL000000003893	0	42	-1.0	-44.92	369.99	5.11	-39.81
CCCC(NC(=O)CCC1=CC=C(Br)C=C1OC)C1=N[N-]N=N1	REAL000000003893	1	42	-1.0	-44.92	369.93	5.11	-39.81
CCCC(NC(=O)CCC1=CC=C(Br)C=C1OC)C1=NNN=N1	REAL000000003893	1	43	0.0	-11.25	373.36	5.12	-6.13
CCCC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000003894	0	54	0.0	-70.32	429.41	9.13	-61.19
CCCC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000003894	1	54	0.0	-69.76	429.36	9.13	-60.63
CCCC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000003894	1	54	0.0	-70.32	429.35	9.12	-61.20
CCCC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000003894	1	54	0.0	-69.75	429.30	9.12	-60.63
CCCC(NC(=O)CCC(=O)C1=CC=C(OC)C(OC)=C1OC)C1=NN=N[N-]1	REAL000000003895	0	52	-1.0	-48.53	431.97	5.25	-43.28
CCCC(NC(=O)CCC(=O)C1=CC=C(OC)C(OC)=C1OC)C1=N[N-]N=N1	REAL000000003895	1	52	-1.0	-48.53	431.92	5.25	-43.28
CCCC(NC(=O)CCC(=O)C1=CC=C(OC)C(OC)=C1OC)C1=NNN=N1	REAL000000003895	1	53	0.0	-14.09	428.14	4.93	-9.16
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL000000003896	0	52	-1.0	-49.95	409.79	3.71	-46.24
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL000000003896	1	52	-1.0	-49.95	409.73	3.70	-46.24
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C1CC1)C1=NNN=N1	REAL000000003896	1	53	0.0	-16.07	413.17	3.72	-12.35
CCCC(NC(=O)C1=CC(C2=CN(C)N=C2)=CC=C1F)C1=NN=N[N-]1	REAL000000003897	0	42	-1.0	-55.96	358.95	5.03	-50.93
CCCC(NC(=O)C1=CC(C2=CN(C)N=C2)=CC=C1F)C1=N[N-]N=N1	REAL000000003897	1	42	-1.0	-55.96	358.89	5.02	-50.94
CCCC(NC(=O)C1=CC(C2=CN(C)N=C2)=CC=C1F)C1=NNN=N1	REAL000000003897	1	43	0.0	-18.12	362.33	5.04	-13.08
CCCC(NC(=O)C1=CC2=CC(C)=CC(Br)=C2O1)C1=NN=N[N-]1	REAL000000003898	0	38	-1.0	-44.76	348.27	5.32	-39.44
CCCC(NC(=O)C1=CC2=CC(C)=CC(Br)=C2O1)C1=N[N-]N=N1	REAL000000003898	1	38	-1.0	-44.76	348.21	5.32	-39.44
CCCC(NC(=O)C1=CC2=CC(C)=CC(Br)=C2O1)C1=NNN=N1	REAL000000003898	1	39	0.0	-8.01	344.46	4.99	-3.02
CCCC(NC(=O)C1=CSC(C2=CC=C(F)C(F)=C2)=N1)C1=NN=N[N-]1	REAL000000003899	0	38	-1.0	-48.37	354.31	4.58	-43.79
CCCC(NC(=O)C1=CSC(C2=CC=C(F)C(F)=C2)=N1)C1=N[N-]N=N1	REAL000000003899	1	38	-1.0	-48.37	354.25	4.58	-43.79
CCCC(NC(=O)C1=CSC(C2=CC=C(F)C(F)=C2)=N1)C1=NNN=N1	REAL000000003899	1	39	0.0	-12.00	357.68	4.59	-7.41
CCCC(NC(=O)CCCCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000003900	0	51	-1.0	-50.95	408.48	2.67	-48.28
CCCC(NC(=O)CCCCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000003900	1	51	-1.0	-50.95	408.42	2.67	-48.29
CCCC(NC(=O)CCCCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003900	1	52	0.0	-15.86	411.86	2.68	-13.18
CCCC(NC(=O)CC(O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000003901	0	53	-1.0	-49.53	438.54	6.11	-43.42
CCCC(NC(=O)CC(O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000003901	1	53	-1.0	-49.53	438.48	6.10	-43.43
CCCC(NC(=O)CC(O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000003901	1	54	0.0	-15.00	441.71	6.14	-8.86
CCCC(NC(=O)COCCNC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000003902	0	46	-1.0	-52.90	389.96	3.19	-49.71
CCCC(NC(=O)COCCNC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000003902	1	46	-1.0	-52.89	389.91	3.19	-49.71
CCCC(NC(=O)COCCNC(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000003902	1	47	0.0	-20.63	393.34	3.20	-17.42
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CCC1(F)F)C1=NN=N[N-]1	REAL000000003913	0	52	-1.0	-50.54	412.19	4.66	-45.88
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CCC1(F)F)C1=N[N-]N=N1	REAL000000003913	1	52	-1.0	-50.54	412.14	4.65	-45.89
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CCC1(F)F)C1=NNN=N1	REAL000000003913	1	53	0.0	-13.84	415.57	4.67	-9.17
CCCC(NC(=O)C1=CC(Br)=C(Cl)C=C1OC)C1=NN=N[N-]1	REAL000000003914	0	36	-1.0	-45.75	337.73	5.28	-40.46
CCCC(NC(=O)C1=CC(Br)=C(Cl)C=C1OC)C1=N[N-]N=N1	REAL000000003914	1	36	-1.0	-45.74	337.67	5.28	-40.47
CCCC(NC(=O)C1=CC(Br)=C(Cl)C=C1OC)C1=NNN=N1	REAL000000003914	1	37	0.0	-10.95	341.11	5.30	-5.66
CCCC(NC(=O)C(C)C1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000003915	0	40	-1.0	-44.04	343.14	5.54	-38.50
CCCC(NC(=O)C(C)C1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000003915	1	40	-1.0	-44.04	343.08	5.54	-38.50
CCCC(NC(=O)C(C)C1=CC=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000003915	1	41	0.0	-14.13	346.47	5.55	-8.58
CCCC(NC(=O)C1CCC2=CC=C(OC)C=C21)C1=NN=N[N-]1	REAL000000003916	0	43	-1.0	-45.35	350.16	4.71	-40.64
CCCC(NC(=O)C1CCC2=CC=C(OC)C=C21)C1=N[N-]N=N1	REAL000000003916	1	43	-1.0	-45.35	350.10	4.71	-40.64
CCCC(NC(=O)C1CCC2=CC=C(OC)C=C21)C1=NNN=N1	REAL000000003916	1	44	0.0	-10.98	353.53	4.72	-6.27
CCCC(NC(=O)C1=CC(Br)=C(F)C=C1F)C1=NN=N[N-]1	REAL000000003917	0	32	-1.0	-43.77	305.87	4.39	-39.38
CCCC(NC(=O)C1=CC(Br)=C(F)C=C1F)C1=N[N-]N=N1	REAL000000003917	1	32	-1.0	-43.77	305.81	4.39	-39.38
CCCC(NC(=O)C1=CC(Br)=C(F)C=C1F)C1=NNN=N1	REAL000000003917	1	33	0.0	-10.45	309.25	4.40	-6.04
CCCC(NC(=O)C(F)(F)C1(O)CCCC1)C1=NN=N[N-]1	REAL000000003918	0	39	-1.0	-42.44	321.27	1.37	-41.07
CCCC(NC(=O)C(F)(F)C1(O)CCCC1)C1=N[N-]N=N1	REAL000000003918	1	39	-1.0	-42.44	321.21	1.37	-41.07
CCCC(NC(=O)C(F)(F)C1(O)CCCC1)C1=NNN=N1	REAL000000003918	1	40	0.0	-8.37	324.64	1.38	-6.99
CCCC(NC(=O)C#CC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000003919	0	37	-1.0	-44.17	344.82	5.98	-38.19
CCCC(NC(=O)C#CC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000003919	1	37	-1.0	-44.17	344.76	5.98	-38.19
CCCC(NC(=O)C#CC1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000003919	1	38	0.0	-10.59	348.21	5.99	-4.60
CCCC(NC(=O)C1=NN(CC)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000003920	0	37	-1.0	-57.35	325.06	3.91	-53.44
CCCC(NC(=O)C1=NN(CC)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000003920	1	37	-1.0	-57.35	325.01	3.92	-53.43
CCCC(NC(=O)C1=NN(CC)C=C1[N+](=O)[O-])C1=NNN=N1	REAL000000003920	1	38	0.0	-15.30	321.27	3.47	-11.83
CCCC(NC(=O)C(F)(F)C1CCOCC1)C1=NN=N[N-]1	REAL000000003921	0	39	-1.0	-38.81	318.31	2.33	-36.48
CCCC(NC(=O)C(F)(F)C1CCOCC1)C1=N[N-]N=N1	REAL000000003921	1	39	-1.0	-38.81	318.25	2.32	-36.49
CCCC(NC(=O)C(F)(F)C1CCOCC1)C1=NNN=N1	REAL000000003921	1	40	0.0	-8.14	321.68	2.34	-5.80
CCCC(NC(=O)C1=CC=C(OC2CC2)C=C1OC)C1=NN=N[N-]1	REAL000000003922	0	44	-1.0	-51.22	362.10	5.20	-46.02
CCCC(NC(=O)C1=CC=C(OC2CC2)C=C1OC)C1=N[N-]N=N1	REAL000000003922	1	44	-1.0	-51.22	362.04	5.20	-46.02
CCCC(NC(=O)C1=CC=C(OC2CC2)C=C1OC)C1=NNN=N1	REAL000000003922	1	45	0.0	-11.00	358.30	4.77	-6.23
CCCC(NC(=O)C(F)(F)C1=NC=CS1)C1=NN=N[N-]1	REAL000000003923	0	31	-1.0	-47.42	293.94	1.77	-45.65
CCCC(NC(=O)C(F)(F)C1=NC=CS1)C1=N[N-]N=N1	REAL000000003923	1	31	-1.0	-47.42	293.88	1.77	-45.64
CCCC(NC(=O)C1=CC(Br)=NN1C)C1=NN=N[N-]1	REAL000000003924	0	32	-1.0	-41.69	296.62	1.87	-39.82
CCCC(NC(=O)C1=CC(Br)=NN1C)C1=N[N-]N=N1	REAL000000003924	1	32	-1.0	-41.69	296.56	1.86	-39.82
CCCC(NC(=O)C1=CC(Br)=NN1C)C1=NNN=N1	REAL000000003924	1	33	0.0	-7.47	292.66	1.53	-5.94
CCCC(NC(=O)C1=CC(F)=C(C(F)(F)F)C(F)=C1)C1=NN=N[N-]1	REAL000000003925	0	35	-1.0	-40.31	322.01	4.70	-35.61
CCCC(NC(=O)C1=CC(F)=C(C(F)(F)F)C(F)=C1)C1=N[N-]N=N1	REAL000000003925	1	35	-1.0	-40.30	321.95	4.70	-35.60
CCCC(NC(=O)C1=CC(F)=C(C(F)(F)F)C(F)=C1)C1=NNN=N1	REAL000000003925	1	36	0.0	-10.30	325.38	4.71	-5.59
CCCC(NC(=O)[C@@H](C)C1=CC=C(CC(C)C)C=C1)C1=NN=N[N-]1	REAL000000003926	0	50	-1.0	-47.97	396.11	7.56	-40.41
CCCC(NC(=O)[C@@H](C)C1=CC=C(CC(C)C)C=C1)C1=N[N-]N=N1	REAL000000003926	1	50	-1.0	-47.97	396.05	7.55	-40.42
CCCC(NC(=O)[C@@H](C)C1=CC=C(CC(C)C)C=C1)C1=NNN=N1	REAL000000003926	1	51	0.0	-10.38	399.45	7.56	-2.82
CCCC(NC(=O)CC1=CC=C2NC(=O)NC2=C1)C1=NN=N[N-]1	REAL000000003927	0	39	-1.0	-50.82	334.77	1.13	-49.69
CCCC(NC(=O)CC1=CC=C2NC(=O)NC2=C1)C1=N[N-]N=N1	REAL000000003927	1	39	-1.0	-50.82	334.71	1.13	-49.68
CCCC(NC(=O)CC1=CC=C2NC(=O)NC2=C1)C1=NNN=N1	REAL000000003927	1	40	0.0	-17.61	338.14	1.14	-16.47
CCCC(NC(=O)C1=CC=CC(Br)=C1F)C1=NN=N[N-]1	REAL000000003928	0	32	-1.0	-50.96	299.50	4.33	-46.64
CCCC(NC(=O)C1=CC=CC(Br)=C1F)C1=N[N-]N=N1	REAL000000003928	1	32	-1.0	-50.96	299.44	4.33	-46.63
CCCC(NC(=O)C1=CC=CC(Br)=C1F)C1=NNN=N1	REAL000000003928	1	33	0.0	-15.60	302.88	4.34	-11.26
CCCC(NC(=O)C1=C(C)SC(Cl)=N1)C1=NN=N[N-]1	REAL000000003929	0	31	-1.0	-43.92	295.72	1.96	-41.97
CCCC(NC(=O)C1=C(C)SC(Cl)=N1)C1=N[N-]N=N1	REAL000000003929	1	31	-1.0	-43.92	295.66	1.96	-41.96
CCCC(NC(=O)C1=C(C)SC(Cl)=N1)C1=NNN=N1	REAL000000003929	1	32	0.0	-6.87	291.91	1.64	-5.23
CCCC(NC(=O)C(F)(F)C1(O)CCCCC1)C1=NN=N[N-]1	REAL000000003930	0	42	-1.0	-42.57	335.37	2.77	-39.80
CCCC(NC(=O)C(F)(F)C1(O)CCCCC1)C1=N[N-]N=N1	REAL000000003930	1	42	-1.0	-42.56	335.31	2.77	-39.79
CCCC(NC(=O)C(F)(F)C1(O)CCCCC1)C1=NNN=N1	REAL000000003930	1	43	0.0	-8.28	338.74	2.78	-5.50
CCCC(NC(=O)CC1=CC=C(OCCOC)C=C1)C1=NN=N[N-]1	REAL000000003931	0	46	-1.0	-50.01	383.96	3.83	-46.18
CCCC(NC(=O)CC1=CC=C(OCCOC)C=C1)C1=N[N-]N=N1	REAL000000003931	1	46	-1.0	-50.00	383.91	3.82	-46.18
CCCC(NC(=O)CC1=CC=C(OCCOC)C=C1)C1=NNN=N1	REAL000000003931	1	47	0.0	-12.01	380.15	3.51	-8.50
CCCC(NC(=O)C1=C2CC(CNC(C)=O)CCN2N=C1)C1=NN=N[N-]1	REAL000000003932	0	49	-1.0	-56.34	397.92	2.11	-54.23
CCCC(NC(=O)C1=C2CC(CNC(C)=O)CCN2N=C1)C1=N[N-]N=N1	REAL000000003932	1	49	-1.0	-56.34	397.86	2.11	-54.23
CCCC(NC(=O)C1=C2CC(CNC(C)=O)CCN2N=C1)C1=NNN=N1	REAL000000003932	1	50	0.0	-16.39	394.20	1.79	-14.60
CCCC(NC(=O)CC(C1=CC=CC=C1)[NH+](C)C)C1=NN=N[N-]1	REAL000000003933	0	47	0.0	-56.14	363.05	5.98	-50.16
CCCC(NC(=O)CC(C1=CC=CC=C1)[NH+](C)C)C1=N[N-]N=N1	REAL000000003933	1	47	0.0	-56.11	363.00	5.98	-50.13
CCCC(NC(=O)CC(C1=CC=CC=C1)[NH+](C)C)C1=NNN=N1	REAL000000003933	1	48	1.0	-35.20	366.43	5.99	-29.21
CCCC(NC(=O)C(=O)C1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL000000003934	0	31	-1.0	-39.79	303.53	3.15	-36.63
CCCC(NC(=O)C(=O)C1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL000000003934	1	31	-1.0	-39.79	303.48	3.14	-36.64
CCCC(NC(=O)C(=O)C1=CC=C(Cl)S1)C1=NNN=N1	REAL000000003934	1	32	0.0	-7.25	306.91	3.16	-4.09
CCCC(NC(=O)C1=CN=C(OCC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL000000003935	0	44	-1.0	-44.11	380.32	2.53	-41.58
CCCC(NC(=O)C1=CN=C(OCC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL000000003935	1	44	-1.0	-44.11	380.26	2.53	-41.58
CCCC(NC(=O)C1=CN=C(OCC2=CC=CC=C2)C=N1)C1=NNN=N1	REAL000000003935	1	45	0.0	-9.68	383.69	2.54	-7.14
CCCC(NC(=O)CC1=CC=CC(Br)=C1C)C1=NN=N[N-]1	REAL000000003936	0	38	-1.0	-45.05	333.83	5.33	-39.72
CCCC(NC(=O)CC1=CC=CC(Br)=C1C)C1=N[N-]N=N1	REAL000000003936	1	38	-1.0	-45.05	333.78	5.32	-39.73
CCCC(NC(=O)CC1=CC=CC(Br)=C1C)C1=NNN=N1	REAL000000003936	1	39	0.0	-9.01	330.06	5.04	-3.97
CCCC(NC(=O)CC1=C(CC)N(C)N=C1CC)C1=NN=N[N-]1	REAL000000003937	0	47	-1.0	-48.99	383.85	4.59	-44.40
CCCC(NC(=O)CC1=C(CC)N(C)N=C1CC)C1=N[N-]N=N1	REAL000000003937	1	47	-1.0	-48.99	383.79	4.58	-44.41
CCCC(NC(=O)CC1=C(CC)N(C)N=C1CC)C1=NNN=N1	REAL000000003937	1	48	0.0	-14.98	387.22	4.60	-10.38
CCCC(NC(=O)CC1=CC=CC(Cl)=C1OCC)C1=NN=N[N-]1	REAL000000003938	0	42	-1.0	-47.17	366.69	5.21	-41.96
CCCC(NC(=O)CC1=CC=CC(Cl)=C1OCC)C1=N[N-]N=N1	REAL000000003938	1	42	-1.0	-47.17	366.64	5.21	-41.96
CCCC(NC(=O)CC1=CC=CC(Cl)=C1OCC)C1=NNN=N1	REAL000000003938	1	43	0.0	-13.32	370.06	5.22	-8.09
CCCC(NC(=O)C1=NN(C2=CC=CC(Br)=C2)N=C1)C1=NN=N[N-]1	REAL000000003939	0	38	-1.0	-44.58	354.62	3.87	-40.71
CCCC(NC(=O)C1=NN(C2=CC=CC(Br)=C2)N=C1)C1=N[N-]N=N1	REAL000000003939	1	38	-1.0	-44.58	354.56	3.87	-40.71
CCCC(NC(=O)C1=NN(C2=CC=CC(Br)=C2)N=C1)C1=NNN=N1	REAL000000003939	1	39	0.0	-10.17	358.00	3.88	-6.30
CCCC(NC(=O)C1=CC=C(C2=NNC=C2)S1)C1=NN=N[N-]1	REAL000000003940	0	36	-1.0	-48.91	328.36	2.86	-46.05
CCCC(NC(=O)C1=CC=C(C2=NNC=C2)S1)C1=N[N-]N=N1	REAL000000003940	1	36	-1.0	-48.91	328.30	2.85	-46.06
CCCC(NC(=O)C1=CC=C(C2=NNC=C2)S1)C1=NNN=N1	REAL000000003940	1	37	0.0	-11.03	324.53	2.54	-8.49
CCCC(NC(=O)C1=NC=CN2C=C(C)N=C12)C1=NN=N[N-]1	REAL000000003941	0	37	-1.0	-59.16	320.10	3.23	-55.92
CCCC(NC(=O)C1=NC=CN2C=C(C)N=C12)C1=N[N-]N=N1	REAL000000003941	1	37	-1.0	-59.16	320.04	3.23	-55.93
CCCC(NC(=O)C1=NC=CN2C=C(C)N=C12)C1=NNN=N1	REAL000000003941	1	38	0.0	-19.52	323.47	3.24	-16.27
CCCC(NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000003942	0	39	-1.0	-47.22	341.26	5.36	-41.86
CCCC(NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000003942	1	39	-1.0	-47.22	341.20	5.35	-41.87
CCCC(NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000003942	1	40	0.0	-13.40	344.63	5.37	-8.03
CCCC(NC(=O)CCOCC(F)(F)C(F)(F)F)C1=NN=N[N-]1	REAL000000003943	0	38	-1.0	-42.90	344.39	2.98	-39.92
CCCC(NC(=O)CCOCC(F)(F)C(F)(F)F)C1=N[N-]N=N1	REAL000000003943	1	38	-1.0	-42.89	344.33	2.98	-39.91
CCCC(NC(=O)CCOCC(F)(F)C(F)(F)F)C1=NNN=N1	REAL000000003943	1	39	0.0	-10.18	347.77	2.99	-7.19
CCCC(NC(=O)C1=CC=C(C(=O)C2=CC=CC(OC)=C2)C=C1)C1=NN=N[N-]1	REAL000000003944	0	48	-1.0	-49.00	400.44	6.19	-42.81
CCCC(NC(=O)C1=CC=C(C(=O)C2=CC=CC(OC)=C2)C=C1)C1=N[N-]N=N1	REAL000000003944	1	48	-1.0	-48.99	400.38	6.19	-42.80
CCCC(NC(=O)C1=CC=C(C(=O)C2=CC=CC(OC)=C2)C=C1)C1=NNN=N1	REAL000000003944	1	49	0.0	-18.26	403.81	6.20	-12.06
CCCC(NC(=O)C1=CN=C2N=CC(Br)=CC2=C1)C1=NN=N[N-]1	REAL000000003945	0	36	-1.0	-45.05	331.91	3.67	-41.37
CCCC(NC(=O)C1=CN=C2N=CC(Br)=CC2=C1)C1=N[N-]N=N1	REAL000000003945	1	36	-1.0	-45.04	331.85	3.67	-41.37
CCCC(NC(=O)C1=CN=C2N=CC(Br)=CC2=C1)C1=NNN=N1	REAL000000003945	1	37	0.0	-13.02	335.28	3.68	-9.34
CCCC(NC(=O)C1=CC=C2NC3=CC=CC=C3C(=O)C2=C1)C1=NN=N[N-]1	REAL000000003946	0	44	-1.0	-60.75	371.74	5.63	-55.12
CCCC(NC(=O)C1=CC=C2NC3=CC=CC=C3C(=O)C2=C1)C1=N[N-]N=N1	REAL000000003946	1	44	-1.0	-60.75	371.68	5.62	-55.13
CCCC(NC(=O)C1=CC=C2NC3=CC=CC=C3C(=O)C2=C1)C1=NNN=N1	REAL000000003946	1	45	0.0	-23.57	375.12	5.64	-17.93
CCCC(NC(=O)C1=COC(CNC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000003947	0	49	-1.0	-49.42	406.15	2.23	-47.19
CCCC(NC(=O)C1=COC(CNC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000003947	1	49	-1.0	-49.42	406.09	2.24	-47.19
CCCC(NC(=O)C1=COC(CNC(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000003947	1	50	0.0	-15.65	409.52	2.24	-13.41
CCCC(NC(=O)C1CC12CCN(C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL000000003948	0	53	-1.0	-45.91	418.16	5.10	-40.81
CCCC(NC(=O)C1CC12CCN(C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL000000003948	1	53	-1.0	-45.90	418.10	5.09	-40.81
CCCC(NC(=O)C1CC12CCN(C(=O)OC(C)(C)C)C2)C1=NNN=N1	REAL000000003948	1	54	0.0	-14.27	414.33	4.72	-9.55
CCCC(NC(=O)CCCCOC1=CC=C(C(=O)CC)C=C1)C1=NN=N[N-]1	REAL000000003949	0	53	-1.0	-48.89	434.75	6.82	-42.07
CCCC(NC(=O)CCCCOC1=CC=C(C(=O)CC)C=C1)C1=N[N-]N=N1	REAL000000003949	1	53	-1.0	-48.89	434.69	6.82	-42.06
CCCC(NC(=O)CCCCOC1=CC=C(C(=O)CC)C=C1)C1=NNN=N1	REAL000000003949	1	54	0.0	-15.83	438.13	6.83	-9.00
CCCC(NC(=O)C1=CN(CC(F)(F)F)N=C1)C1=NN=N[N-]1	REAL000000003950	0	35	-1.0	-47.86	318.76	2.74	-45.12
CCCC(NC(=O)C1=CN(CC(F)(F)F)N=C1)C1=N[N-]N=N1	REAL000000003950	1	35	-1.0	-47.87	318.71	2.74	-45.12
CCCC(NC(=O)C1=CN(CC(F)(F)F)N=C1)C1=NNN=N1	REAL000000003950	1	36	0.0	-12.11	314.95	2.42	-9.70
CCCC(NC(=O)C1=CC=C(OC(C)C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000003951	0	49	-1.0	-47.52	402.39	7.57	-39.95
CCCC(NC(=O)C1=CC=C(OC(C)C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000003951	1	49	-1.0	-47.52	402.33	7.56	-39.96
CCCC(NC(=O)C1=CC=C(OC(C)C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000003951	1	50	0.0	-11.76	405.77	7.58	-4.18
CCCC(NC(=O)C1=CC=CC(NC(C)=O)=C1C)C1=NN=N[N-]1	REAL000000003952	0	42	-1.0	-47.84	343.40	3.48	-44.37
CCCC(NC(=O)C1=CC=CC(NC(C)=O)=C1C)C1=N[N-]N=N1	REAL000000003952	1	42	-1.0	-47.85	343.35	3.47	-44.38
CCCC(NC(=O)C1=CC=CC(NC(C)=O)=C1C)C1=NNN=N1	REAL000000003952	1	43	0.0	-13.97	346.76	3.47	-10.49
CCCC(NC(=O)C1=CC(NC(C)=O)=CC=C1C)C1=NN=N[N-]1	REAL000000003953	0	42	-1.0	-49.19	346.91	3.23	-45.95
CCCC(NC(=O)C1=CC(NC(C)=O)=CC=C1C)C1=N[N-]N=N1	REAL000000003953	1	42	-1.0	-49.18	346.85	3.22	-45.96
CCCC(NC(=O)C1=CC(NC(C)=O)=CC=C1C)C1=NNN=N1	REAL000000003953	1	43	0.0	-15.65	350.28	3.24	-12.41
CCCC(NC(=O)CCCCCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000003954	0	54	-1.0	-48.87	429.98	3.46	-45.41
CCCC(NC(=O)CCCCCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000003954	1	54	-1.0	-48.86	429.92	3.46	-45.41
CCCC(NC(=O)CCCCCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003954	1	55	0.0	-14.27	433.35	3.46	-10.81
CCCC(NC(=O)C1=C(I)C(C)=CS1)C1=NN=N[N-]1	REAL000000003955	0	32	-1.0	-44.67	308.79	4.31	-40.36
CCCC(NC(=O)C1=C(I)C(C)=CS1)C1=N[N-]N=N1	REAL000000003955	1	32	-1.0	-44.67	308.73	4.30	-40.37
CCCC(NC(=O)C1=C(I)C(C)=CS1)C1=NNN=N1	REAL000000003955	1	33	0.0	-7.04	304.97	3.98	-3.06
CCCC(NC(=O)C1=CC=C(C(C)C)C(Cl)=C1)C1=NN=N[N-]1	REAL000000003956	0	41	-1.0	-43.90	348.16	5.99	-37.91
CCCC(NC(=O)C1=CC=C(C(C)C)C(Cl)=C1)C1=N[N-]N=N1	REAL000000003956	1	41	-1.0	-43.90	348.10	5.99	-37.91
CCCC(NC(=O)C1=CC=C(C(C)C)C(Cl)=C1)C1=NNN=N1	REAL000000003956	1	42	0.0	-11.48	351.54	6.00	-5.48
CCCC(NC(=O)C1=CC(N2CCNC(=O)C2)=CC=N1)C1=NN=N[N-]1	REAL000000003957	0	44	-1.0	-60.26	357.26	-1.36	-61.62
CCCC(NC(=O)C1=CC(N2CCNC(=O)C2)=CC=N1)C1=N[N-]N=N1	REAL000000003957	1	44	-1.0	-60.26	357.20	-1.37	-61.63
CCCC(NC(=O)C1=CC(N2CCNC(=O)C2)=CC=N1)C1=NNN=N1	REAL000000003957	1	45	0.0	-20.13	360.05	-1.35	-21.48
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CCC)C1=NN=N[N-]1	REAL000000003958	0	45	-1.0	-45.71	368.72	6.82	-38.88
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CCC)C1=N[N-]N=N1	REAL000000003958	1	45	-1.0	-45.71	368.66	6.82	-38.89
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CCC)C1=NNN=N1	REAL000000003958	1	46	0.0	-10.66	372.16	6.82	-3.84
CCCC(NC(=O)CC1CCC2(CC1)OCCO2)C1=NN=N[N-]1	REAL000000003959	0	47	-1.0	-46.88	364.30	3.49	-43.39
CCCC(NC(=O)CC1CCC2(CC1)OCCO2)C1=N[N-]N=N1	REAL000000003959	1	47	-1.0	-46.88	364.24	3.49	-43.38
CCCC(NC(=O)CC1CCC2(CC1)OCCO2)C1=NNN=N1	REAL000000003959	1	48	0.0	-8.78	360.49	3.18	-5.60
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2OC(F)(F)F)O1)C1=NN=N[N-]1	REAL000000003960	0	43	-1.0	-49.53	385.83	5.32	-44.20
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2OC(F)(F)F)O1)C1=N[N-]N=N1	REAL000000003960	1	43	-1.0	-49.53	385.77	5.31	-44.21
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2OC(F)(F)F)O1)C1=NNN=N1	REAL000000003960	1	44	0.0	-11.49	389.20	5.33	-6.16
CCCC(NC(=O)C1=CC(C2=CC=C(C)C(C)=C2)=NN1)C1=NN=N[N-]1	REAL000000003961	0	45	-1.0	-45.18	374.23	4.89	-40.30
CCCC(NC(=O)C1=CC(C2=CC=C(C)C(C)=C2)=NN1)C1=N[N-]N=N1	REAL000000003961	1	45	-1.0	-45.19	374.18	4.88	-40.31
CCCC(NC(=O)C1=CC(C2=CC=C(C)C(C)=C2)=NN1)C1=NNN=N1	REAL000000003961	1	46	0.0	-12.19	377.61	4.90	-7.30
CCCC1=CC(C(=O)NC(CCC)C2=NN=N[N-]2)=CC=C1Cl	REAL000000003962	0	41	-1.0	-44.20	351.29	6.23	-37.97
CCCC1=CC(C(=O)NC(CCC)C2=N[N-]N=N2)=CC=C1Cl	REAL000000003962	1	41	-1.0	-44.20	351.23	6.23	-37.97
CCCC1=CC(C(=O)NC(CCC)C2=NNN=N2)=CC=C1Cl	REAL000000003962	1	42	0.0	-6.70	347.47	5.92	-0.78
CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2)N=N1)C1=NN=N[N-]1	REAL000000003963	0	38	-1.0	-45.16	348.38	3.85	-41.30
CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2)N=N1)C1=N[N-]N=N1	REAL000000003963	1	38	-1.0	-45.15	348.32	3.85	-41.31
CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2)N=N1)C1=NNN=N1	REAL000000003963	1	39	0.0	-10.56	351.75	3.86	-6.70
CCCC(NC(=O)C1=C2OC(C)=CC2=C(Br)C=C1)C1=NN=N[N-]1	REAL000000003964	0	38	-1.0	-50.77	344.27	6.01	-44.76
CCCC(NC(=O)C1=C2OC(C)=CC2=C(Br)C=C1)C1=N[N-]N=N1	REAL000000003964	1	38	-1.0	-50.77	344.21	6.00	-44.77
CCCC(NC(=O)C1=C2OC(C)=CC2=C(Br)C=C1)C1=NNN=N1	REAL000000003964	1	39	0.0	-11.29	340.46	5.63	-5.65
CCCC(NC(=O)C1=CC=C(C(=O)C2=CC=CC(O)=C2)C=C1)C1=NN=N[N-]1	REAL000000003965	0	45	-1.0	-48.92	381.98	4.03	-44.89
CCCC(NC(=O)C1=CC=C(C(=O)C2=CC=CC(O)=C2)C=C1)C1=N[N-]N=N1	REAL000000003965	1	45	-1.0	-48.92	381.92	4.03	-44.89
CCCC(NC(=O)C1=CC=C(C(=O)C2=CC=CC(O)=C2)C=C1)C1=NNN=N1	REAL000000003965	1	46	0.0	-17.90	385.36	4.04	-13.87
CCCC(NC(=O)C1=CNC(=O)C2=CC=CC=C12)C1=NN=N[N-]1	REAL000000003966	0	38	-1.0	-48.71	320.17	2.88	-45.83
CCCC(NC(=O)C1=CNC(=O)C2=CC=CC=C12)C1=N[N-]N=N1	REAL000000003966	1	38	-1.0	-48.71	320.11	2.88	-45.83
CCCC(NC(=O)C1=CNC(=O)C2=CC=CC=C12)C1=NNN=N1	REAL000000003966	1	39	0.0	-16.65	323.70	2.88	-13.77
CCCC(NC(=O)CCCSC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000003967	0	46	-1.0	-48.88	390.14	5.66	-43.22
CCCC(NC(=O)CCCSC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000003967	1	46	-1.0	-48.88	390.09	5.66	-43.22
CCCC(NC(=O)CCCSC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000003967	1	47	0.0	-14.51	393.52	5.67	-8.84
CCCC(NC(=O)CN(C)C1CCS(=O)(=O)C1)C1=NN=N[N-]1	REAL000000003968	0	43	-1.0	-52.66	353.04	-1.59	-54.25
CCCC(NC(=O)CN(C)C1CCS(=O)(=O)C1)C1=N[N-]N=N1	REAL000000003968	1	43	-1.0	-52.65	352.98	-1.60	-54.26
CCCC(NC(=O)CN(C)C1CCS(=O)(=O)C1)C1=NNN=N1	REAL000000003968	1	44	0.0	-19.89	356.42	-1.58	-21.47
CCCC(NC(=O)C(O)CC1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL000000003969	0	43	-1.0	-46.93	359.60	2.34	-44.59
CCCC(NC(=O)C(O)CC1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL000000003969	1	43	-1.0	-46.92	359.54	2.33	-44.59
CCCC(NC(=O)C(O)CC1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000003969	1	44	0.0	-9.90	355.81	1.92	-7.98
CCCC(NC(=O)CC1=CC(C(F)(F)F)=CC(Cl)=N1)C1=NN=N[N-]1	REAL000000003970	0	37	-1.0	-51.20	348.60	4.14	-47.06
CCCC(NC(=O)CC1=CC(C(F)(F)F)=CC(Cl)=N1)C1=N[N-]N=N1	REAL000000003970	1	37	-1.0	-51.20	348.55	4.12	-47.08
CCCC(NC(=O)CC1=CC(C(F)(F)F)=CC(Cl)=N1)C1=NNN=N1	REAL000000003970	1	38	0.0	-11.18	344.81	3.80	-7.38
CCCC(NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000003971	0	46	-1.0	-56.92	369.46	3.69	-53.24
CCCC(NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000003971	1	46	-1.0	-56.92	369.40	3.68	-53.24
CCCC(NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003971	1	47	0.0	-16.65	365.71	3.26	-13.38
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)C1C)C1=NN=N[N-]1	REAL000000003972	0	52	-1.0	-46.83	401.04	4.25	-42.58
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)C1C)C1=N[N-]N=N1	REAL000000003972	1	52	-1.0	-46.82	400.98	4.25	-42.57
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)C1C)C1=NNN=N1	REAL000000003972	1	53	0.0	-16.93	409.98	4.39	-12.54
CCCC(NC(=O)CC1=CC=C(Br)C(Cl)=C1)C1=NN=N[N-]1	REAL000000003973	0	35	-1.0	-44.46	335.11	5.39	-39.08
CCCC(NC(=O)CC1=CC=C(Br)C(Cl)=C1)C1=N[N-]N=N1	REAL000000003973	1	35	-1.0	-44.46	335.05	5.39	-39.08
CCCC(NC(=O)CC1=CC=C(Br)C(Cl)=C1)C1=NNN=N1	REAL000000003973	1	36	0.0	-12.23	338.49	5.40	-6.84
CCCC(NC(=O)C1=NN(C2=C(F)C=CC=C2F)C=C1C)C1=NN=N[N-]1	REAL000000003974	0	42	-1.0	-53.29	362.01	5.64	-47.65
CCCC(NC(=O)C1=NN(C2=C(F)C=CC=C2F)C=C1C)C1=N[N-]N=N1	REAL000000003974	1	42	-1.0	-53.30	361.95	5.63	-47.67
CCCC(NC(=O)C1=NN(C2=C(F)C=CC=C2F)C=C1C)C1=NNN=N1	REAL000000003974	1	43	0.0	-14.49	365.39	5.65	-8.84
CCCC(NC(=O)CCCC1=CC=C(O)C(F)=C1)C1=NN=N[N-]1	REAL000000003975	0	42	-1.0	-51.14	359.12	3.12	-48.01
CCCC(NC(=O)CCCC1=CC=C(O)C(F)=C1)C1=N[N-]N=N1	REAL000000003975	1	42	-1.0	-51.14	359.07	3.12	-48.02
CCCC(NC(=O)CCCC1=CC=C(O)C(F)=C1)C1=NNN=N1	REAL000000003975	1	43	0.0	-15.44	362.50	3.13	-12.31
CCCC(NC(=O)C1=NC(Br)=CC=C1C)C1=NN=N[N-]1	REAL000000003976	0	34	-1.0	-44.95	309.07	3.11	-41.85
CCCC(NC(=O)C1=NC(Br)=CC=C1C)C1=N[N-]N=N1	REAL000000003976	1	34	-1.0	-44.96	309.02	3.10	-41.86
CCCC(NC(=O)C1=NC(Br)=CC=C1C)C1=NNN=N1	REAL000000003976	1	35	0.0	-8.99	312.46	3.11	-5.87
CCCC(NC(=O)C1=CC(O)=CC(C(=O)OC)=C1)C1=NN=N[N-]1	REAL000000003977	0	39	-1.0	-50.48	340.13	1.45	-49.03
CCCC(NC(=O)C1=CC(O)=CC(C(=O)OC)=C1)C1=N[N-]N=N1	REAL000000003977	1	39	-1.0	-50.48	340.07	1.44	-49.04
CCCC(NC(=O)C1=CC(O)=CC(C(=O)OC)=C1)C1=NNN=N1	REAL000000003977	1	40	0.0	-16.00	343.51	1.46	-14.54
CCCC(NC(=O)C1=NOC2=C1CCCCC2)C1=NN=N[N-]1	REAL000000003978	0	41	-1.0	-46.21	327.75	4.09	-42.12
CCCC(NC(=O)C1=NOC2=C1CCCCC2)C1=N[N-]N=N1	REAL000000003978	1	41	-1.0	-46.21	327.70	4.10	-42.11
CCCC(NC(=O)C1=NOC2=C1CCCCC2)C1=NNN=N1	REAL000000003978	1	42	0.0	-9.72	331.16	4.11	-5.62
CCCC(NC(=O)C1=CC(Cl)=NC=C1Cl)C1=NN=N[N-]1	REAL000000003979	0	31	-1.0	-41.83	299.11	2.82	-39.01
CCCC(NC(=O)C1=CC(Cl)=NC=C1Cl)C1=N[N-]N=N1	REAL000000003979	1	31	-1.0	-41.83	299.06	2.81	-39.02
CCCC(NC(=O)C1=CC(Cl)=NC=C1Cl)C1=NNN=N1	REAL000000003979	1	32	0.0	-9.75	302.49	2.83	-6.93
CCCC(NC(=O)C1=CSC(CCNC(=O)OC(C)(C)C)=N1)C1=NN=N[N-]1	REAL000000003980	0	51	-1.0	-51.07	431.54	1.89	-49.17
CCCC(NC(=O)C1=CSC(CCNC(=O)OC(C)(C)C)=N1)C1=N[N-]N=N1	REAL000000003980	1	51	-1.0	-51.07	431.48	1.88	-49.18
CCCC(NC(=O)C1=CSC(CCNC(=O)OC(C)(C)C)=N1)C1=NNN=N1	REAL000000003980	1	52	0.0	-13.03	427.74	1.57	-11.47
CCCC(NC(=O)C1=CC=C2C(=C1)N=CN2C1=CC(C)=CC=C1C)C1=NN=N[N-]1	REAL000000003981	0	51	-1.0	-52.30	420.41	9.75	-42.55
CCCC(NC(=O)C1=CC=C2C(=C1)N=CN2C1=CC(C)=CC=C1C)C1=N[N-]N=N1	REAL000000003981	1	51	-1.0	-52.31	420.35	9.74	-42.57
CCCC(NC(=O)C1=CC=C2C(=C1)N=CN2C1=CC(C)=CC=C1C)C1=NNN=N1	REAL000000003981	1	52	0.0	-15.82	422.29	9.54	-6.28
CCCC(NC(=O)C1CC1C1=CC(OC)=CC=C1OC)C1=NN=N[N-]1	REAL000000003982	0	47	-1.0	-52.08	376.79	4.26	-47.82
CCCC(NC(=O)C1CC1C1=CC(OC)=CC=C1OC)C1=N[N-]N=N1	REAL000000003982	1	47	-1.0	-52.08	376.73	4.25	-47.82
CCCC(NC(=O)C1CC1C1=CC(OC)=CC=C1OC)C1=NNN=N1	REAL000000003982	1	48	0.0	-10.18	372.98	3.94	-6.24
CCCC(NC(=O)C1=CN=C(Br)C(OC)=C1)C1=NN=N[N-]1	REAL000000003983	0	35	-1.0	-42.49	319.58	1.74	-40.75
CCCC(NC(=O)C1=CN=C(Br)C(OC)=C1)C1=N[N-]N=N1	REAL000000003983	1	35	-1.0	-42.49	319.52	1.74	-40.75
CCCC(NC(=O)C1=CN=C(Br)C(OC)=C1)C1=NNN=N1	REAL000000003983	1	36	0.0	-10.94	322.96	1.75	-9.19
CCCC(NC(=O)C1=CC=C2C(=C1)N=C(C)N2CC1=CSC=C1)C1=NN=N[N-]1	REAL000000003984	0	48	-1.0	-56.33	413.74	7.63	-48.70
CCCC(NC(=O)C1=CC=C2C(=C1)N=C(C)N2CC1=CSC=C1)C1=N[N-]N=N1	REAL000000003984	1	48	-1.0	-56.33	413.69	7.62	-48.71
CCCC(NC(=O)C1=CC=C2C(=C1)N=C(C)N2CC1=CSC=C1)C1=NNN=N1	REAL000000003984	1	49	0.0	-15.71	409.93	7.31	-8.40
CCCC(NC(=O)CC(C)(C)CC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000003985	0	47	-1.0	-45.72	381.46	7.12	-38.60
CCCC(NC(=O)CC(C)(C)CC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000003985	1	47	-1.0	-45.71	381.41	7.11	-38.60
CCCC(NC(=O)CC(C)(C)CC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000003985	1	48	0.0	-10.93	384.84	7.13	-3.80
CCCC(NC(=O)C1=CC=C(C(=O)OC)C=C1F)C1=NN=N[N-]1	REAL000000003986	0	38	-1.0	-50.37	333.63	4.39	-45.98
CCCC(NC(=O)C1=CC=C(C(=O)OC)C=C1F)C1=N[N-]N=N1	REAL000000003986	1	38	-1.0	-50.37	333.57	4.38	-45.99
CCCC(NC(=O)C1=CC=C(C(=O)OC)C=C1F)C1=NNN=N1	REAL000000003986	1	39	0.0	-16.68	337.01	4.40	-12.28
CCCC(NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C1=NN=N[N-]1	REAL000000003987	0	50	-1.0	-49.47	396.18	3.34	-46.13
CCCC(NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C1=N[N-]N=N1	REAL000000003987	1	50	-1.0	-49.47	396.12	3.34	-46.12
CCCC(NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C1=NNN=N1	REAL000000003987	1	51	0.0	-13.12	399.52	3.34	-9.78
CCCC(NC(=O)C1=C(OC)N(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL000000003988	0	43	-1.0	-49.59	369.10	4.20	-45.39
CCCC(NC(=O)C1=C(OC)N(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL000000003988	1	43	-1.0	-49.59	369.04	4.20	-45.40
CCCC(NC(=O)C1=C(OC)N(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000003988	1	44	0.0	-14.69	372.48	4.21	-10.48
CCCC(NC(=O)C1COC2=CC(C)=C(C)C=C21)C1=NN=N[N-]1	REAL000000003989	0	43	-1.0	-49.17	351.15	4.53	-44.64
CCCC(NC(=O)C1COC2=CC(C)=C(C)C=C21)C1=N[N-]N=N1	REAL000000003989	1	43	-1.0	-49.17	351.09	4.53	-44.63
CCCC(NC(=O)C1COC2=CC(C)=C(C)C=C21)C1=NNN=N1	REAL000000003989	1	44	0.0	-13.99	355.22	4.58	-9.41
CCCC(NC(=O)C1=CC=C(OC(F)F)C=N1)C1=NN=N[N-]1	REAL000000003990	0	35	-1.0	-47.50	310.83	1.44	-46.06
CCCC(NC(=O)C1=CC=C(OC(F)F)C=N1)C1=N[N-]N=N1	REAL000000003990	1	35	-1.0	-47.50	310.78	1.44	-46.06
CCCC(NC(=O)C1=CC=C(OC(F)F)C=N1)C1=NNN=N1	REAL000000003990	1	36	0.0	-11.46	314.21	1.45	-10.01
CCCC(NC(=O)C1=CSC(Br)=C1C)C1=NN=N[N-]1	REAL000000003991	0	32	-1.0	-44.34	302.25	3.92	-40.42
CCCC(NC(=O)C1=CSC(Br)=C1C)C1=N[N-]N=N1	REAL000000003991	1	32	-1.0	-44.34	302.19	3.92	-40.42
CCCC(NC(=O)C1=CSC(Br)=C1C)C1=NNN=N1	REAL000000003991	1	33	0.0	-10.09	305.63	3.93	-6.16
CCCC(NC(=O)C(=NOCC(=O)OCC)C1=NNC=C1)C1=NN=N[N-]1	REAL000000003992	0	45	-1.0	-51.31	390.68	2.65	-48.66
CCCC(NC(=O)C(=NOCC(=O)OCC)C1=NNC=C1)C1=N[N-]N=N1	REAL000000003992	1	45	-1.0	-51.31	390.62	2.65	-48.66
CCCC(NC(=O)C(=NOCC(=O)OCC)C1=NNC=C1)C1=NNN=N1	REAL000000003992	1	46	0.0	-16.40	394.06	2.66	-13.75
CCCC(NC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N1C)C1=NN=N[N-]1	REAL000000003993	0	44	-1.0	-54.14	370.83	6.02	-48.12
CCCC(NC(=O)C1=CC(N2CC(C)OC(C)C2)=CC=N1)C1=NN=N[N-]1	REAL000000003994	0	50	-1.0	-47.99	398.30	2.28	-45.71
CCCC(NC(=O)C1=CC(N2CC(C)OC(C)C2)=CC=N1)C1=N[N-]N=N1	REAL000000003994	1	50	-1.0	-47.99	398.25	2.27	-45.72
CCCC(NC(=O)C1=CC(N2CC(C)OC(C)C2)=CC=N1)C1=NNN=N1	REAL000000003994	1	51	0.0	-11.23	401.65	2.29	-8.94
CCCC(NC(=O)C1=C(OC)C(=O)NC(=O)N1)C1=NN=N[N-]1	REAL000000003995	0	36	-1.0	-44.01	313.48	-0.90	-44.91
CCCC(NC(=O)C1=C(OC)C(=O)NC(=O)N1)C1=N[N-]N=N1	REAL000000003995	1	36	-1.0	-44.00	313.42	-0.90	-44.90
CCCC(NC(=O)CC1=C2CCCCC2=NN1)C1=NN=N[N-]1	REAL000000003996	0	42	-1.0	-49.60	341.60	3.04	-46.56
CCCC(NC(=O)CC1=C2CCCCC2=NN1)C1=N[N-]N=N1	REAL000000003996	1	42	-1.0	-49.60	341.54	3.04	-46.56
CCCC(NC(=O)C1=CN=C(Cl)C(C2CC2)=C1)C1=NN=N[N-]1	REAL000000003997	0	38	-1.0	-42.73	333.09	4.30	-38.43
CCCC(NC(=O)C1=CN=C(Cl)C(C2CC2)=C1)C1=N[N-]N=N1	REAL000000003997	1	38	-1.0	-42.73	333.03	4.30	-38.43
CCCC(NC(=O)C1=CN=C(Cl)C(C2CC2)=C1)C1=NNN=N1	REAL000000003997	1	39	0.0	-9.95	336.46	4.31	-5.64
CCCC(NC(=O)C1=CC(C(C)=O)=C(C)N=C1C)C1=NN=N[N-]1	REAL000000003998	0	42	-1.0	-44.70	342.61	3.58	-41.12
CCCC(NC(=O)C1=CC(C(C)=O)=C(C)N=C1C)C1=N[N-]N=N1	REAL000000003998	1	42	-1.0	-44.69	342.55	3.58	-41.11
CCCC(NC(=O)C1=CC(C(C)=O)=C(C)N=C1C)C1=NNN=N1	REAL000000003998	1	43	0.0	-13.45	346.69	3.63	-9.83
CCCC(NC(=O)C1=NN(CC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000003999	0	42	-1.0	-51.56	361.27	5.29	-46.27
CCCC(NC(=O)C1=NN(CC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000003999	1	42	-1.0	-51.56	361.21	5.29	-46.27
CCCC(NC(=O)C1=NN(CC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000003999	1	43	0.0	-11.42	357.47	4.96	-6.46
CCCC(NC(=O)C1=CC=CC(CNC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000004000	0	52	-1.0	-50.38	422.25	4.06	-46.32
CCCC(NC(=O)C1=CC=CC(CNC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000004000	1	52	-1.0	-50.38	422.20	4.07	-46.32
CCCC(NC(=O)C1=CC=CC(CNC(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000004000	1	53	0.0	-14.94	425.63	4.07	-10.87
CCCC(NC(=O)C1=CC=C2C(=C1)CCN2C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000004001	0	53	-1.0	-47.80	420.60	6.61	-41.20
CCCC(NC(=O)C1=CC=C2C(=C1)CCN2C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000004001	1	53	-1.0	-47.80	420.54	6.61	-41.20
CCCC(NC(=O)C1=CC=C2C(=C1)CCN2C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004001	1	54	0.0	-13.63	423.98	6.61	-7.02
CCCC(NC(=O)C(O)C(O)C1=NC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL000000004002	0	43	-1.0	-51.19	363.37	-0.78	-51.97
CCCC(NC(=O)C(O)C(O)C1=NC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL000000004002	1	43	-1.0	-51.19	363.31	-0.78	-51.97
CCCC(NC(=O)C(O)C(O)C1=NC2=CC=CC=C2N1)C1=NNN=N1	REAL000000004002	1	44	0.0	-16.34	367.38	-1.02	-17.36
CCCC(NC(=O)CC1=CC=C(C)C(Br)=C1)C1=NN=N[N-]1	REAL000000004003	0	38	-1.0	-47.50	338.47	5.52	-41.98
CCCC(NC(=O)CC1=CC=C(C)C(Br)=C1)C1=N[N-]N=N1	REAL000000004003	1	38	-1.0	-47.49	338.42	5.50	-41.99
CCCC(NC(=O)CC1=CC=C(C)C(Br)=C1)C1=NNN=N1	REAL000000004003	1	39	0.0	-12.21	341.85	5.52	-6.69
CCCC(NC(=O)CCCCN1CCOCC1)C1=NN=N[N-]1	REAL000000004004	0	47	-1.0	-46.44	370.30	1.40	-45.04
CCCC(NC(=O)CC1=CC=CC=C1S(C)=O)C1=NN=N[N-]1	REAL000000004005	0	40	-1.0	-59.22	340.61	3.51	-55.71
CCCC(NC(=O)CC1=CC=CC=C1S(C)=O)C1=N[N-]N=N1	REAL000000004005	1	40	-1.0	-59.23	340.55	3.51	-55.71
CCCC(NC(=O)CC1=CC=CC=C1S(C)=O)C1=NNN=N1	REAL000000004005	1	41	0.0	-17.91	343.98	3.52	-14.39
CCCC(NC(=O)COC1=CC=C(CCC(C)=O)C=C1)C1=NN=N[N-]1	REAL000000004006	0	47	-1.0	-51.74	395.49	6.33	-45.41
CCCC(NC(=O)COC1=CC=C(CCC(C)=O)C=C1)C1=N[N-]N=N1	REAL000000004006	1	47	-1.0	-51.73	395.43	6.33	-45.40
CCCC(NC(=O)COC1=CC=C(CCC(C)=O)C=C1)C1=NNN=N1	REAL000000004006	1	48	0.0	-17.81	398.75	6.34	-11.48
CCCC(NC(=O)C(=O)NC1=CC(OC)=CC=C1OC)C1=NN=N[N-]1	REAL000000004007	0	44	-1.0	-46.67	368.99	0.63	-46.04
CCCC(NC(=O)C(=O)NC1=CC(OC)=CC=C1OC)C1=N[N-]N=N1	REAL000000004007	1	44	-1.0	-46.66	368.93	0.62	-46.04
CCCC(NC(=O)C(=O)NC1=CC(OC)=CC=C1OC)C1=NNN=N1	REAL000000004007	1	45	0.0	-10.71	365.14	0.31	-10.40
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C1=NN=N[N-]1	REAL000000004008	0	35	-1.0	-44.10	318.60	4.70	-39.40
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C1=N[N-]N=N1	REAL000000004008	1	35	-1.0	-44.09	318.54	4.70	-39.39
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C1=NNN=N1	REAL000000004008	1	36	0.0	-9.77	321.98	4.71	-5.06
CCCC(NC(=O)C1=CC=C(C(C)C)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000004009	0	43	-1.0	-50.35	359.35	6.15	-44.20
CCCC(NC(=O)C1=CC=C(C(C)C)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000004009	1	43	-1.0	-50.35	359.29	6.14	-44.21
CCCC(NC(=O)C1=CC=C(C(C)C)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000004009	1	44	0.0	-17.05	362.74	6.16	-10.89
CCCC(NC(=O)CC1=CC=C(Br)C=C1O)C1=NN=N[N-]1	REAL000000004010	0	36	-1.0	-43.22	330.10	2.15	-41.07
CCCC(NC(=O)CC1=CC=C(Br)C=C1O)C1=N[N-]N=N1	REAL000000004010	1	36	-1.0	-43.21	330.04	2.14	-41.07
CCCC(NC(=O)CC1=CC=C(Br)C=C1O)C1=NNN=N1	REAL000000004010	1	37	0.0	-14.52	333.49	2.16	-12.36
CCCC(NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C1=NN=N[N-]1	REAL000000004011	0	50	-1.0	-49.49	396.17	3.35	-46.14
CCCC(NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C1=N[N-]N=N1	REAL000000004011	1	50	-1.0	-49.49	396.12	3.35	-46.14
CCCC(NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C1=NNN=N1	REAL000000004011	1	51	0.0	-10.93	392.41	2.94	-8.00
CCCC(NC(=O)C(C)(O)CN1C(=O)NC2(CCCC2)C1=O)C1=NN=N[N-]1	REAL000000004012	0	51	-1.0	-46.96	409.64	-0.78	-47.74
CCCC(NC(=O)C(C)(O)CN1C(=O)NC2(CCCC2)C1=O)C1=N[N-]N=N1	REAL000000004012	1	51	-1.0	-46.96	409.58	-0.78	-47.74
CCCC(NC(=O)C(C)(O)CN1C(=O)NC2(CCCC2)C1=O)C1=NNN=N1	REAL000000004012	1	52	0.0	-11.75	413.02	-0.77	-12.52
CCCC(NC(=O)C1=CSC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL000000004013	0	31	-1.0	-44.04	302.60	1.76	-42.28
CCCC(NC(=O)C1=CSC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL000000004013	1	31	-1.0	-44.04	302.54	1.76	-42.29
CCCC(NC(=O)C1=CSC(C(F)(F)F)=N1)C1=NNN=N1	REAL000000004013	1	32	0.0	-9.30	305.98	1.77	-7.53
CCCC(NC(=O)C1CCN(C2=C(C#N)N=C(C)O2)CC1)C1=NN=N[N-]1	REAL000000004014	0	47	-1.0	-53.21	389.09	0.21	-53.00
CCCC(NC(=O)C1CCN(C2=C(C#N)N=C(C)O2)CC1)C1=N[N-]N=N1	REAL000000004014	1	47	-1.0	-53.21	389.04	0.21	-52.99
CCCC(NC(=O)C1CCN(C2=C(C#N)N=C(C)O2)CC1)C1=NNN=N1	REAL000000004014	1	48	0.0	-15.46	392.46	0.22	-15.24
CCCC(NC(=O)CCC1=CC=CC(N(C)C)=C1)C1=NN=N[N-]1	REAL000000004015	0	46	-1.0	-46.29	372.92	5.54	-40.75
CCCC(NC(=O)CCC1=CC=CC(N(C)C)=C1)C1=N[N-]N=N1	REAL000000004015	1	46	-1.0	-46.28	372.86	5.54	-40.74
CCCC(NC(=O)CCC1=CC=CC(N(C)C)=C1)C1=NNN=N1	REAL000000004015	1	47	0.0	-11.02	374.88	5.53	-5.49
CCCC(NC(=O)C1=CC(Br)=C(C)N=C1OC)C1=NN=N[N-]1	REAL000000004016	0	38	-1.0	-47.09	339.04	2.76	-44.33
CCCC(NC(=O)C1=CC(Br)=C(C)N=C1OC)C1=N[N-]N=N1	REAL000000004016	1	38	-1.0	-47.09	338.98	2.75	-44.33
CCCC(NC(=O)C1=CC(Br)=C(C)N=C1OC)C1=NNN=N1	REAL000000004016	1	39	0.0	-11.95	342.41	2.77	-9.18
CCCC(NC(=O)[C@@H](CC)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000004017	0	48	-1.0	-42.35	376.56	1.91	-40.44
CCCC(NC(=O)[C@@H](CC)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000004017	1	48	-1.0	-42.35	376.51	1.90	-40.45
CCCC(NC(=O)[C@@H](CC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004017	1	49	0.0	-10.91	379.95	1.92	-8.99
CCCC(NC(=O)C=CC1=CC=CC(OCCOC)=C1)C1=NN=N[N-]1	REAL000000004018	0	47	-1.0	-50.86	393.85	4.35	-46.51
CCCC(NC(=O)C=CC1=CC=CC(OCCOC)=C1)C1=N[N-]N=N1	REAL000000004018	1	47	-1.0	-50.86	393.79	4.35	-46.51
CCCC(NC(=O)C=CC1=CC=CC(OCCOC)=C1)C1=NNN=N1	REAL000000004018	1	48	0.0	-11.71	390.02	4.03	-7.68
CCCC(NC(=O)C(C)OC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000004019	0	42	-1.0	-47.37	364.06	5.79	-41.58
CCCC(NC(=O)C(C)OC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000004019	1	42	-1.0	-47.37	364.00	5.79	-41.58
CCCC(NC(=O)C(C)OC1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000004019	1	43	0.0	-13.79	366.62	5.85	-7.94
CCCC(NC(=O)C(C)C1=CN(C)C2=CC=CC=C12)C1=NN=N[N-]1	REAL000000004020	0	45	-1.0	-49.42	371.26	6.67	-42.76
CCCC(NC(=O)C(C)C1=CN(C)C2=CC=CC=C12)C1=N[N-]N=N1	REAL000000004020	1	45	-1.0	-49.42	371.21	6.67	-42.75
CCCC(NC(=O)C(C)C1=CN(C)C2=CC=CC=C12)C1=NNN=N1	REAL000000004020	1	46	0.0	-13.19	374.64	6.68	-6.51
CCCC(NC(=O)C1=CC(Cl)=C(OC)C=C1C)C1=NN=N[N-]1	REAL000000004021	0	39	-1.0	-44.36	335.81	4.21	-40.15
CCCC(NC(=O)C1=CC(Cl)=C(OC)C=C1C)C1=N[N-]N=N1	REAL000000004021	1	39	-1.0	-44.36	335.76	4.21	-40.15
CCCC(NC(=O)C1=CC(Cl)=C(OC)C=C1C)C1=NNN=N1	REAL000000004021	1	40	0.0	-9.84	339.19	4.22	-5.62
CCCCN1C=C(C(=O)NC(CCC)C2=NN=N[N-]2)C(C)=N1	REAL000000004022	0	44	-1.0	-49.25	362.02	4.41	-44.84
CCCCN1C=C(C(=O)NC(CCC)C2=N[N-]N=N2)C(C)=N1	REAL000000004022	1	44	-1.0	-49.25	361.96	4.40	-44.85
CCCCN1C=C(C(=O)NC(CCC)C2=NNN=N2)C(C)=N1	REAL000000004022	1	45	0.0	-14.50	365.38	4.42	-10.08
CCCC(NC(=O)CC1=CNC2=CC=CC(OCC)=C12)C1=NN=N[N-]1	REAL000000004023	0	46	-1.0	-50.38	380.88	4.66	-45.72
CCCC(NC(=O)CC1=CNC2=CC=CC(OCC)=C12)C1=N[N-]N=N1	REAL000000004023	1	46	-1.0	-50.38	380.82	4.65	-45.73
CCCC(NC(=O)CC1=CNC2=CC=CC(OCC)=C12)C1=NNN=N1	REAL000000004023	1	47	0.0	-14.88	384.26	4.67	-10.21
CCCC(NC(=O)C1=C(C)N=C(CC2CC2)O1)C1=NN=N[N-]1	REAL000000004024	0	41	-1.0	-43.95	346.42	2.06	-41.89
CCCC(NC(=O)C1=C(C)N=C(CC2CC2)O1)C1=N[N-]N=N1	REAL000000004024	1	41	-1.0	-43.95	346.36	2.05	-41.90
CCCC(NC(=O)C1=C(C)N=C(CC2CC2)O1)C1=NNN=N1	REAL000000004024	1	42	0.0	-7.61	342.60	1.74	-5.87
CCCC(NC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000004025	0	34	-1.0	-48.57	305.35	2.23	-46.34
CCCC(NC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000004025	1	34	-1.0	-48.56	305.30	2.22	-46.34
CCCC(NC(=O)CCC1=NC=C(C(C)(C)C)O1)C1=NN=N[N-]1	REAL000000004026	0	46	-1.0	-45.79	378.87	2.60	-43.18
CCCC(NC(=O)CCC1=NC=C(C(C)(C)C)O1)C1=N[N-]N=N1	REAL000000004026	1	46	-1.0	-45.78	378.81	2.60	-43.18
CCCC(NC(=O)CCC1=NC=C(C(C)(C)C)O1)C1=NNN=N1	REAL000000004026	1	47	0.0	-11.90	382.24	2.61	-9.29
CCCC(NC(=O)CC1=CC=C(F)C=C1Br)C1=NN=N[N-]1	REAL000000004027	0	35	-1.0	-43.05	323.60	4.90	-38.15
CCCC(NC(=O)CC1=CC=C(F)C=C1Br)C1=N[N-]N=N1	REAL000000004027	1	35	-1.0	-43.05	323.54	4.89	-38.16
CCCC(NC(=O)CC1=CC=C(F)C=C1Br)C1=NNN=N1	REAL000000004027	1	36	0.0	-10.84	326.98	4.91	-5.93
CCCC(NC(=O)C1=NNC2=C1CCCCC2)C1=NN=N[N-]1	REAL000000004028	0	42	-1.0	-49.32	331.49	2.94	-46.38
CCCC(NC(=O)C1=NNC2=C1CCCCC2)C1=N[N-]N=N1	REAL000000004028	1	42	-1.0	-49.32	331.43	2.94	-46.38
CCCC(NC(=O)C1=NNC2=C1CCCCC2)C1=NNN=N1	REAL000000004028	1	43	0.0	-9.06	327.67	2.62	-6.44
CCCC(NC(=O)C1=C(C)N=C(CC2CC2)S1)C1=NN=N[N-]1	REAL000000004029	0	41	-1.0	-44.27	353.56	4.45	-39.82
CCCC(NC(=O)C1=C(C)N=C(CC2CC2)S1)C1=N[N-]N=N1	REAL000000004029	1	41	-1.0	-44.27	353.50	4.45	-39.82
CCCC(NC(=O)C1=C(C)N=C(CC2CC2)S1)C1=NNN=N1	REAL000000004029	1	42	0.0	-7.33	349.75	4.13	-3.21
CCCC(NC(=O)C1=COC2=CC(C)=C(C)C=C12)C1=NN=N[N-]1	REAL000000004030	0	41	-1.0	-51.57	342.04	5.22	-46.35
CCCC(NC(=O)C1=COC2=CC(C)=C(C)C=C12)C1=N[N-]N=N1	REAL000000004030	1	41	-1.0	-51.57	341.98	5.22	-46.35
CCCC(NC(=O)C1=COC2=CC(C)=C(C)C=C12)C1=NNN=N1	REAL000000004030	1	42	0.0	-11.24	338.24	4.90	-6.33
CCCC(NC(=O)C1=CC(C)=NC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL000000004031	0	36	-1.0	-42.07	329.07	2.69	-39.38
CCCC(NC(=O)C1=CC(C)=NC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL000000004031	1	36	-1.0	-42.06	329.02	2.69	-39.37
CCCC(NC(=O)C1=CC(C)=NC(C(F)(F)F)=N1)C1=NNN=N1	REAL000000004031	1	37	0.0	-9.35	332.45	2.70	-6.65
CCCC(NC(=O)CC1=CC=CC(COC)=C1)C1=NN=N[N-]1	REAL000000004032	0	42	-1.0	-46.93	354.04	4.04	-42.89
CCCC(NC(=O)CC1=CC=CC(COC)=C1)C1=N[N-]N=N1	REAL000000004032	1	42	-1.0	-46.92	353.99	4.04	-42.89
CCCC(NC(=O)CC1=CC=CC(COC)=C1)C1=NNN=N1	REAL000000004032	1	43	0.0	-12.46	357.42	4.04	-8.41
CCCC(NC(=O)C1=CC=C(OCCOC)C=C1Cl)C1=NN=N[N-]1	REAL000000004033	0	43	-1.0	-49.74	371.75	3.69	-46.05
CCCC(NC(=O)C1=CC=C(OCCOC)C=C1Cl)C1=N[N-]N=N1	REAL000000004033	1	43	-1.0	-49.74	371.69	3.69	-46.05
CCCC(NC(=O)C1=CC=C(OCCOC)C=C1Cl)C1=NNN=N1	REAL000000004033	1	44	0.0	-15.01	375.13	3.70	-11.31
CCCC(NC(=O)CCCC1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000004034	0	44	-1.0	-46.91	380.61	6.90	-40.01
CCCC(NC(=O)CCCC1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000004034	1	44	-1.0	-46.91	380.55	6.90	-40.01
CCCC(NC(=O)CCCC1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000004034	1	45	0.0	-10.14	376.79	6.58	-3.56
CCCC(NC(=O)C1=CN2C=C(C(F)(F)F)N=C2C=C1)C1=NN=N[N-]1	REAL000000004035	0	38	-1.0	-44.30	342.00	5.22	-39.08
CCCC(NC(=O)C1=CN2C=C(C(F)(F)F)N=C2C=C1)C1=N[N-]N=N1	REAL000000004035	1	38	-1.0	-44.30	341.94	5.21	-39.09
CCCC(NC(=O)C1=CN2C=C(C(F)(F)F)N=C2C=C1)C1=NNN=N1	REAL000000004035	1	39	0.0	-14.27	345.37	5.23	-9.04
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC=C2C)S1)C1=NN=N[N-]1	REAL000000004036	0	44	-1.0	-45.50	373.99	6.32	-39.18
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC=C2C)S1)C1=N[N-]N=N1	REAL000000004036	1	44	-1.0	-45.49	373.93	6.32	-39.17
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC=C2C)S1)C1=NNN=N1	REAL000000004036	1	45	0.0	-10.68	377.37	6.33	-4.35
CCCC(NC(=O)C=CC1=CN=C(OC)N=C1)C1=NN=N[N-]1	REAL000000004037	0	38	-1.0	-47.85	330.80	-0.44	-48.29
CCCC(NC(=O)C=CC1=CN=C(OC)N=C1)C1=N[N-]N=N1	REAL000000004037	1	38	-1.0	-47.85	330.74	-0.45	-48.29
CCCC(NC(=O)C=CC1=CN=C(OC)N=C1)C1=NNN=N1	REAL000000004037	1	39	0.0	-14.81	334.18	-0.43	-15.24
CCCC(NC(=O)C(F)(F)C1=CC=C(OCC(=O)N(C)C)C=C1)C1=NN=N[N-]1	REAL000000004038	0	49	-1.0	-53.29	415.97	5.27	-48.02
CCCC(NC(=O)C(F)(F)C1=CC=C(OCC(=O)N(C)C)C=C1)C1=N[N-]N=N1	REAL000000004038	1	49	-1.0	-53.29	415.92	5.27	-48.02
CCCC(NC(=O)C(F)(F)C1=CC=C(OCC(=O)N(C)C)C=C1)C1=NNN=N1	REAL000000004038	1	50	0.0	-17.96	420.39	5.29	-12.67
CCCCOC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C(Cl)=C1	REAL000000004039	0	45	-1.0	-47.21	381.12	6.01	-41.20
CCCCOC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C(Cl)=C1	REAL000000004039	1	45	-1.0	-47.21	381.06	6.01	-41.20
CCCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C(Cl)=C1	REAL000000004039	1	46	0.0	-12.38	384.50	6.02	-6.36
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)C(C)C)=C1)C1=NN=N[N-]1	REAL000000004040	0	44	-1.0	-53.26	374.14	2.69	-50.58
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)C(C)C)=C1)C1=N[N-]N=N1	REAL000000004040	1	44	-1.0	-53.26	374.08	2.69	-50.57
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)C(C)C)=C1)C1=NNN=N1	REAL000000004040	1	45	0.0	-15.73	370.34	2.37	-13.35
CCCC(NC(=O)CCC1=CC=CC2=C1OCO2)C1=NN=N[N-]1	REAL000000004041	0	41	-1.0	-46.83	346.44	3.79	-43.04
CCCC(NC(=O)CCC1=CC=CC2=C1OCO2)C1=N[N-]N=N1	REAL000000004041	1	41	-1.0	-46.82	346.39	3.79	-43.03
CCCC(NC(=O)CCC1=CC=CC2=C1OCO2)C1=NNN=N1	REAL000000004041	1	42	0.0	-10.81	342.59	3.48	-7.33
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(C)C)N=C1)C1=NN=N[N-]1	REAL000000004042	0	42	-1.0	-46.95	365.91	-0.24	-47.19
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(C)C)N=C1)C1=N[N-]N=N1	REAL000000004042	1	42	-1.0	-46.95	365.85	-0.24	-47.20
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(C)C)N=C1)C1=NNN=N1	REAL000000004042	1	43	0.0	-16.03	369.29	-0.23	-16.27
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC)N=C1)C1=NN=N[N-]1	REAL000000004043	0	39	-1.0	-47.41	346.95	-2.08	-49.49
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC)N=C1)C1=N[N-]N=N1	REAL000000004043	1	39	-1.0	-47.40	346.89	-2.08	-49.48
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC)N=C1)C1=NNN=N1	REAL000000004043	1	40	0.0	-16.54	350.33	-2.07	-18.61
CCCC(NC(=O)C1=NOC(CSCC)=C1)C1=NN=N[N-]1	REAL000000004044	0	38	-1.0	-45.15	341.18	3.85	-41.30
CCCC(NC(=O)C1=NOC(CSCC)=C1)C1=N[N-]N=N1	REAL000000004044	1	38	-1.0	-45.15	341.12	3.85	-41.29
CCCC(NC(=O)C1=NOC(CSCC)=C1)C1=NNN=N1	REAL000000004044	1	39	0.0	-10.38	344.56	3.87	-6.51
CCCC(NC(=O)C1=CC=C2CN(C(=O)OC(C)(C)C)CC2=C1)C1=NN=N[N-]1	REAL000000004045	0	53	-1.0	-50.15	425.56	5.99	-44.16
CCCC(NC(=O)C1=CC=C2CN(C(=O)OC(C)(C)C)CC2=C1)C1=N[N-]N=N1	REAL000000004045	1	53	-1.0	-50.14	425.50	5.98	-44.16
CCCC(NC(=O)C1=CC=C2CN(C(=O)OC(C)(C)C)CC2=C1)C1=NNN=N1	REAL000000004045	1	54	0.0	-15.43	428.94	6.00	-9.43
CCCC(NC(=O)C1=CN=C(C(F)(F)F)N=C1)C1=NN=N[N-]1	REAL000000004046	0	33	-1.0	-40.99	305.05	2.05	-38.94
CCCC(NC(=O)C1=CN=C(C(F)(F)F)N=C1)C1=N[N-]N=N1	REAL000000004046	1	33	-1.0	-40.98	304.99	2.04	-38.94
CCCC(NC(=O)C1=CN=C(C(F)(F)F)N=C1)C1=NNN=N1	REAL000000004046	1	34	0.0	-11.34	308.42	2.06	-9.28
CCCC(NC(=O)CCC1=NC(N(C)C)=NO1)C1=NN=N[N-]1	REAL000000004047	0	41	-1.0	-45.90	347.79	3.10	-42.80
CCCC(NC(=O)CCC1=NC(N(C)C)=NO1)C1=N[N-]N=N1	REAL000000004047	1	41	-1.0	-45.90	347.74	3.10	-42.81
CCCC(NC(=O)CCC1=NC(N(C)C)=NO1)C1=NNN=N1	REAL000000004047	1	42	0.0	-13.25	351.19	3.05	-10.20
CCCC(NC(=O)C1=NOC(COC(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000004048	0	44	-1.0	-44.69	364.81	2.94	-41.76
CCCC(NC(=O)C1=NOC(COC(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000004048	1	44	-1.0	-44.70	364.76	2.93	-41.77
CCCC(NC(=O)C1=NOC(COC(C)(C)C)=C1)C1=NNN=N1	REAL000000004048	1	45	0.0	-9.98	368.19	2.95	-7.04
CCCC(NC(=O)[C@H](C)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000004049	0	42	-1.0	-50.26	353.24	5.40	-44.86
CCCC(NC(=O)[C@H](C)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000004049	1	42	-1.0	-50.26	353.18	5.40	-44.86
CCCC(NC(=O)[C@H](C)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000004049	1	43	0.0	-10.91	349.44	4.99	-5.92
CCCC(NC(=O)C1=CC=C(C2=CN=CN=C2)C=C1F)C1=NN=N[N-]1	REAL000000004050	0	40	-1.0	-52.32	342.95	5.19	-47.13
CCCC(NC(=O)C1=CC=C(C2=CN=CN=C2)C=C1F)C1=N[N-]N=N1	REAL000000004050	1	40	-1.0	-52.31	342.90	5.18	-47.13
CCCC(NC(=O)C1=CC=C(C2=CN=CN=C2)C=C1F)C1=NNN=N1	REAL000000004050	1	41	0.0	-13.38	339.15	4.87	-8.51
CCCC(NC(=O)C1=CC(=O)NC(C2CC2)=C1)C1=NN=N[N-]1	REAL000000004051	0	39	-1.0	-50.95	328.99	2.83	-48.13
CCCC(NC(=O)C1=CC(=O)NC(C2CC2)=C1)C1=N[N-]N=N1	REAL000000004051	1	39	-1.0	-50.95	328.94	2.82	-48.13
CCCC(NC(=O)C1=CC(=O)NC(C2CC2)=C1)C1=NNN=N1	REAL000000004051	1	40	0.0	-13.83	325.19	2.50	-11.33
CCCC(NC(=O)C1CC12CCS(=O)(=O)CC2)C1=NN=N[N-]1	REAL000000004052	0	42	-1.0	-57.77	348.79	1.18	-56.59
CCCC(NC(=O)C1CC12CCS(=O)(=O)CC2)C1=N[N-]N=N1	REAL000000004052	1	42	-1.0	-57.77	348.73	1.17	-56.60
CCCC(NC(=O)C1CC12CCS(=O)(=O)CC2)C1=NNN=N1	REAL000000004052	1	43	0.0	-19.07	354.26	1.13	-17.95
CCCC(NC(=O)C1=CC=NC(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000004053	0	36	-1.0	-51.33	324.76	-3.29	-54.62
CCCC(NC(=O)C1=CC=NC(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000004053	1	36	-1.0	-51.32	324.70	-3.30	-54.62
CCCC(NC(=O)C1=CC=NC(S(N)(=O)=O)=C1)C1=NNN=N1	REAL000000004053	1	37	0.0	-20.27	328.14	-3.28	-23.55
CCCC(NC(=O)C(C)C1CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000004054	0	52	-1.0	-52.88	412.18	4.27	-48.61
CCCC(NC(=O)C(C)C1CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000004054	1	52	-1.0	-52.87	412.13	4.27	-48.61
CCCC(NC(=O)C(C)C1CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000004054	1	53	0.0	-16.29	415.67	4.17	-12.12
CCCC(NC(=O)CCC1=CC=C(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000004055	0	48	-1.0	-46.40	394.59	8.55	-37.86
CCCC(NC(=O)CCC1=CC=C(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000004055	1	48	-1.0	-46.40	394.54	8.55	-37.85
CCCC(NC(=O)CCC1=CC=C(C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000004055	1	49	0.0	-8.95	390.78	8.24	-0.72
CCCC(NC(=O)C1=CN(CC2=CC=C(OC)C(OC)=C2)N=C1)C1=NN=N[N-]1	REAL000000004056	0	50	-1.0	-51.32	419.56	4.47	-46.86
CCCC(NC(=O)C1=CN(CC2=CC=C(OC)C(OC)=C2)N=C1)C1=N[N-]N=N1	REAL000000004056	1	50	-1.0	-51.33	419.50	4.47	-46.86
CCCC(NC(=O)C1=CN(CC2=CC=C(OC)C(OC)=C2)N=C1)C1=NNN=N1	REAL000000004056	1	51	0.0	-16.91	422.94	4.48	-12.44
CCCC(NC(=O)CCCCCC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000004057	0	47	-1.0	-47.44	391.28	7.54	-39.90
CCCC(NC(=O)CCCCCC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000004057	1	47	-1.0	-47.44	391.22	7.53	-39.91
CCCC(NC(=O)CCCCCC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000004057	1	48	0.0	-12.72	394.66	7.55	-5.17
CCCC(NC(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000004058	0	35	-1.0	-42.45	330.12	5.17	-37.28
CCCC(NC(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000004058	1	35	-1.0	-42.44	330.06	5.16	-37.28
CCCC(NC(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000004058	1	36	0.0	-9.62	333.50	5.18	-4.44
CCCC(NC(=O)CCC1=CC=C(C)C=C1Br)C1=NN=N[N-]1	REAL000000004059	0	41	-1.0	-44.42	359.01	6.27	-38.15
CCCC(NC(=O)CCC1=CC=C(C)C=C1Br)C1=N[N-]N=N1	REAL000000004059	1	41	-1.0	-44.42	358.95	6.26	-38.15
CCCC(NC(=O)CCC1=CC=C(C)C=C1Br)C1=NNN=N1	REAL000000004059	1	42	0.0	-10.62	362.39	6.28	-4.33
CCCC(NC(=O)C1=CN=C(CC2=CC=CC=C2F)S1)C1=NN=N[N-]1	REAL000000004060	0	41	-1.0	-45.60	370.31	5.32	-40.29
CCCC(NC(=O)C1=CN=C(CC2=CC=CC=C2F)S1)C1=N[N-]N=N1	REAL000000004060	1	41	-1.0	-45.60	370.25	5.31	-40.29
CCCC(NC(=O)C1=CN=C(CC2=CC=CC=C2F)S1)C1=NNN=N1	REAL000000004060	1	42	0.0	-10.95	373.69	5.33	-5.62
CCCC(NC(=O)C1=CC=C(OC)C(Cl)=C1OC)C1=NN=N[N-]1	REAL000000004061	0	40	-1.0	-50.11	348.21	4.16	-45.96
CCCC(NC(=O)C1=CC=C(OC)C(Cl)=C1OC)C1=N[N-]N=N1	REAL000000004061	1	40	-1.0	-50.11	348.15	4.15	-45.96
CCCC(NC(=O)C1=CC=C(OC)C(Cl)=C1OC)C1=NNN=N1	REAL000000004061	1	41	0.0	-14.84	351.58	4.16	-10.68
CCCC(NC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000004062	0	52	-1.0	-57.68	408.34	4.43	-53.24
CCCC(NC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000004062	1	52	-1.0	-57.68	408.28	4.42	-53.26
CCCC(NC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000004062	1	53	0.0	-14.94	404.54	4.11	-10.83
CCCC(NC(=O)C(O)CC1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000004063	0	42	-1.0	-46.73	368.84	4.02	-42.71
CCCC(NC(=O)C(O)CC1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000004063	1	42	-1.0	-46.72	368.79	4.03	-42.69
CCCC(NC(=O)C(O)CC1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000004063	1	43	0.0	-11.71	372.22	4.03	-7.68
CCCC(NC(=O)C1=CN2C(=NN=C2C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000004064	0	46	-1.0	-45.80	371.61	6.06	-39.74
CCCC(NC(=O)C1=CN2C(=NN=C2C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000004064	1	46	-1.0	-45.80	371.55	6.06	-39.73
CCCC(NC(=O)C1=CN2C(=NN=C2C(C)(C)C)C=C1)C1=NNN=N1	REAL000000004064	1	47	0.0	-16.02	374.99	6.07	-9.95
CCCC(NC(=O)CC1=CC(F)=CC=C1OC)C1=NN=N[N-]1	REAL000000004065	0	39	-1.0	-48.04	333.69	3.76	-44.28
CCCC(NC(=O)CC1=CC(F)=CC=C1OC)C1=N[N-]N=N1	REAL000000004065	1	39	-1.0	-48.05	333.64	3.75	-44.29
CCCC(NC(=O)CC1=CC(F)=CC=C1OC)C1=NNN=N1	REAL000000004065	1	40	0.0	-12.73	337.07	3.77	-8.96
CCCC(NC(=O)CCC(=O)C1=CC=CC=N1)C1=NN=N[N-]1	REAL000000004066	0	39	-1.0	-48.33	337.09	3.30	-45.04
CCCC(NC(=O)CCC(=O)C1=CC=CC=N1)C1=N[N-]N=N1	REAL000000004066	1	39	-1.0	-48.34	337.03	3.30	-45.04
CCCC(NC(=O)CCC(=O)C1=CC=CC=N1)C1=NNN=N1	REAL000000004066	1	40	0.0	-12.72	340.46	3.31	-9.41
CCCC(NC(=O)CC1(CSC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL000000004067	0	46	-1.0	-48.31	387.50	7.54	-40.77
CCCC(NC(=O)CC1(CSC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL000000004067	1	46	-1.0	-48.31	387.44	7.53	-40.78
CCCC(NC(=O)CC1(CSC2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000004067	1	47	0.0	-10.85	390.87	7.55	-3.30
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1C)C1=NN=N[N-]1	REAL000000004068	0	42	-1.0	-50.32	354.16	5.51	-44.81
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1C)C1=N[N-]N=N1	REAL000000004068	1	42	-1.0	-50.32	354.10	5.50	-44.82
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1C)C1=NNN=N1	REAL000000004068	1	43	0.0	-12.24	357.54	5.52	-6.72
CCCC(NC(=O)CCCCC(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000004069	0	46	-1.0	-47.31	389.99	6.59	-40.72
CCCC(NC(=O)CCCCC(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000004069	1	46	-1.0	-47.31	389.93	6.59	-40.71
CCCC(NC(=O)CCCCC(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000004069	1	47	0.0	-13.66	393.37	6.60	-7.06
CCCC(NC(=O)C1=CN=C2C(F)=CC(F)=CC2=C1O)C1=NN=N[N-]1	REAL000000004070	0	38	-1.0	-43.80	336.20	2.74	-41.06
CCCC(NC(=O)C1=CN=C2C(F)=CC(F)=CC2=C1O)C1=N[N-]N=N1	REAL000000004070	1	38	-1.0	-43.79	336.14	2.74	-41.05
CCCC(NC(=O)C1=CN=C2C(F)=CC(F)=CC2=C1O)C1=NNN=N1	REAL000000004070	1	39	0.0	-9.76	332.38	2.31	-7.44
CCCC(NC(=O)CCC1=C2C=CC=CC2=CN=C1)C1=NN=N[N-]1	REAL000000004071	0	43	-1.0	-48.00	358.28	5.47	-42.52
CCCC(NC(=O)CCC1=C2C=CC=CC2=CN=C1)C1=N[N-]N=N1	REAL000000004071	1	43	-1.0	-48.00	358.22	5.46	-42.53
CCCC(NC(=O)CCC1=C2C=CC=CC2=CN=C1)C1=NNN=N1	REAL000000004071	1	44	0.0	-12.27	361.65	5.48	-6.79
CCCC(NC(=O)C1=CC=CC(CC(=O)OC)=C1)C1=NN=N[N-]1	REAL000000004072	0	41	-1.0	-53.86	351.31	5.08	-48.78
CCCC(NC(=O)C1=CC=CC(CC(=O)OC)=C1)C1=N[N-]N=N1	REAL000000004072	1	41	-1.0	-53.85	351.25	5.08	-48.78
CCCC(NC(=O)C1=CC=CC(CC(=O)OC)=C1)C1=NNN=N1	REAL000000004072	1	42	0.0	-15.47	354.68	5.08	-10.39
CCCC(NC(=O)C1=CC=C(C2=NNC=N2)C=C1)C1=NN=N[N-]1	REAL000000004073	0	38	-1.0	-51.30	329.40	4.51	-46.79
CCCC(NC(=O)C1=CC=C(C2=NNC=N2)C=C1)C1=N[N-]N=N1	REAL000000004073	1	38	-1.0	-51.30	329.34	4.51	-46.79
CCCC(NC(=O)[C@@H](C)C1=CC=C2C=C(OC)C=CC2=C1)C1=NN=N[N-]1	REAL000000004074	0	48	-1.0	-48.39	390.15	6.40	-41.99
CCCC(NC(=O)[C@@H](C)C1=CC=C2C=C(OC)C=CC2=C1)C1=N[N-]N=N1	REAL000000004074	1	48	-1.0	-48.39	390.09	6.41	-41.99
CCCC(NC(=O)[C@@H](C)C1=CC=C2C=C(OC)C=CC2=C1)C1=NNN=N1	REAL000000004074	1	49	0.0	-11.18	386.36	6.09	-5.09
CCCC(NC(=O)C(C)NC(=O)CC(C)(C)C)C1=NN=N[N-]1	REAL000000004075	0	47	-1.0	-41.60	370.69	2.58	-39.03
CCCC(NC(=O)C(C)NC(=O)CC(C)(C)C)C1=N[N-]N=N1	REAL000000004075	1	47	-1.0	-41.60	370.63	2.57	-39.03
CCCC(NC(=O)C(C)NC(=O)CC(C)(C)C)C1=NNN=N1	REAL000000004075	1	48	0.0	-7.89	366.90	2.25	-5.64
CCCC(NC(=O)C=CC1=CC=C(OCC)C(C)=C1)C1=NN=N[N-]1	REAL000000004076	0	46	-1.0	-47.04	380.20	5.84	-41.20
CCCC(NC(=O)C=CC1=CC=C(OCC)C(C)=C1)C1=N[N-]N=N1	REAL000000004076	1	46	-1.0	-47.04	380.15	5.83	-41.21
CCCC(NC(=O)C=CC1=CC=C(OCC)C(C)=C1)C1=NNN=N1	REAL000000004076	1	47	0.0	-11.90	383.58	5.85	-6.05
CCCC(NC(=O)C=CC1=CC=C(OC(C)C)C(C)=C1)C1=NN=N[N-]1	REAL000000004077	0	49	-1.0	-46.94	398.10	6.46	-40.48
CCCC(NC(=O)C=CC1=CC=C(OC(C)C)C(C)=C1)C1=N[N-]N=N1	REAL000000004077	1	49	-1.0	-46.94	398.04	6.46	-40.48
CCCC(NC(=O)C=CC1=CC=C(OC(C)C)C(C)=C1)C1=NNN=N1	REAL000000004077	1	50	0.0	-8.82	394.29	6.15	-2.67
CCCC(NC(=O)C1=C(I)C=NN1)C1=NN=N[N-]1	REAL000000004078	0	29	-1.0	-41.97	281.22	1.21	-40.76
CCCC(NC(=O)C1=C(I)C=NN1)C1=N[N-]N=N1	REAL000000004078	1	29	-1.0	-41.97	281.16	1.20	-40.76
CCCC(NC(=O)C1=C(I)C=NN1)C1=NNN=N1	REAL000000004078	1	30	0.0	-10.12	284.60	1.22	-8.90
CCCC(NC(=O)CCC(=O)C1=CC=C(Cl)C=N1)C1=NN=N[N-]1	REAL000000004079	0	39	-1.0	-45.65	353.85	3.81	-41.85
CCCC(NC(=O)CCC(=O)C1=CC=C(Cl)C=N1)C1=N[N-]N=N1	REAL000000004079	1	39	-1.0	-45.66	353.79	3.80	-41.86
CCCC(NC(=O)CCC(=O)C1=CC=C(Cl)C=N1)C1=NNN=N1	REAL000000004079	1	40	0.0	-10.84	357.22	3.82	-7.02
CCCC(NC(=O)C1=NC(C)=NC=C1Br)C1=NN=N[N-]1	REAL000000004080	0	33	-1.0	-42.78	304.95	2.30	-40.47
CCCC(NC(=O)C1=NC(C)=NC=C1Br)C1=N[N-]N=N1	REAL000000004080	1	33	-1.0	-42.77	304.89	2.30	-40.47
CCCC(NC(=O)C1=NC(C)=NC=C1Br)C1=NNN=N1	REAL000000004080	1	34	0.0	-8.81	308.33	2.31	-6.50
CCCC(NC(=O)C1=COC(C2CCCCC2)=N1)C1=NN=N[N-]1	REAL000000004081	0	44	-1.0	-44.41	359.28	2.27	-42.14
CCCC(NC(=O)C1=COC(C2CCCCC2)=N1)C1=N[N-]N=N1	REAL000000004081	1	44	-1.0	-44.40	359.23	2.27	-42.13
CCCC(NC(=O)C1=COC(C2CCCCC2)=N1)C1=NNN=N1	REAL000000004081	1	45	0.0	-9.03	362.66	2.28	-6.76
CCCC(NC(=O)C1=CC=CC(C2=CN=C3NC(=O)N(C)C3=C2)=C1)C1=NN=N[N-]1	REAL000000004082	0	48	-1.0	-54.47	401.53	5.19	-49.27
CCCC(NC(=O)C1=CC=CC(C2=CN=C3NC(=O)N(C)C3=C2)=C1)C1=N[N-]N=N1	REAL000000004082	1	48	-1.0	-54.46	401.48	5.18	-49.28
CCCC(NC(=O)C1=CC=CC(C2=CN=C3NC(=O)N(C)C3=C2)=C1)C1=NNN=N1	REAL000000004082	1	49	0.0	-19.42	404.91	5.20	-14.22
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1N)C1=NN=N[N-]1	REAL000000004083	0	36	-1.0	-44.26	312.87	2.55	-41.71
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1N)C1=N[N-]N=N1	REAL000000004083	1	36	-1.0	-44.26	312.81	2.54	-41.72
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1N)C1=NNN=N1	REAL000000004083	1	37	0.0	-11.40	316.25	2.55	-8.85
CCCC(NC(=O)CNC(=O)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL000000004084	0	39	-1.0	-44.37	344.27	2.29	-42.07
CCCC(NC(=O)CNC(=O)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL000000004084	1	39	-1.0	-44.36	344.22	2.29	-42.07
CCCC(NC(=O)CNC(=O)C1=CC=C(F)C=C1F)C1=NNN=N1	REAL000000004084	1	40	0.0	-11.75	340.46	1.97	-9.78
CCCC(NC(=O)CNC(=O)C1=CC=NC=C1)C1=NN=N[N-]1	REAL000000004085	0	38	-1.0	-44.18	328.51	0.37	-43.81
CCCC(NC(=O)CNC(=O)C1=CC=NC=C1)C1=N[N-]N=N1	REAL000000004085	1	38	-1.0	-44.18	328.45	0.36	-43.81
CCCC(NC(=O)CNC(=O)C1=CC=NC=C1)C1=NNN=N1	REAL000000004085	1	39	0.0	-12.77	331.89	0.38	-12.38
CCCC(NC(=O)C1=CC=C(C#N)C(Cl)=C1)C1=NN=N[N-]1	REAL000000004086	0	33	-1.0	-42.72	310.54	4.45	-38.27
CCCC(NC(=O)C1=CC=C(C#N)C(Cl)=C1)C1=N[N-]N=N1	REAL000000004086	1	33	-1.0	-42.72	310.48	4.45	-38.26
CCCC(NC(=O)C1=CC=C(C#N)C(Cl)=C1)C1=NNN=N1	REAL000000004086	1	34	0.0	-10.53	306.71	4.14	-6.39
CCCC(NC(=O)CNC(=O)C1=CC=C(Br)S1)C1=NN=N[N-]1	REAL000000004087	0	36	-1.0	-43.01	347.11	1.85	-41.15
CCCC(NC(=O)CNC(=O)C1=CC=C(Br)S1)C1=N[N-]N=N1	REAL000000004087	1	36	-1.0	-43.00	347.05	1.85	-41.15
CCCC(NC(=O)CNC(=O)C1=CC=C(Br)S1)C1=NNN=N1	REAL000000004087	1	37	0.0	-10.82	350.48	1.86	-8.96
CCCC(NC(=O)CNC(=O)C1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL000000004088	0	40	-1.0	-45.92	344.35	-0.70	-46.63
CCCC(NC(=O)CNC(=O)C1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL000000004088	1	40	-1.0	-45.92	344.29	-0.71	-46.63
CCCC(NC(=O)CNC(=O)C1=CC=CC(O)=C1)C1=NNN=N1	REAL000000004088	1	41	0.0	-14.20	347.73	-0.69	-14.89
CCCC(NC(=O)CNC(=O)C1=CC(F)=CC(F)=C1)C1=NN=N[N-]1	REAL000000004089	0	39	-1.0	-42.52	346.15	2.29	-40.23
CCCC(NC(=O)CNC(=O)C1=CC(F)=CC(F)=C1)C1=N[N-]N=N1	REAL000000004089	1	39	-1.0	-42.52	346.09	2.28	-40.24
CCCC(NC(=O)CNC(=O)C1=CC(F)=CC(F)=C1)C1=NNN=N1	REAL000000004089	1	40	0.0	-10.99	349.52	2.29	-8.70
CCCC(NC(=O)CNC(=O)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL000000004090	0	39	-1.0	-44.08	346.01	2.27	-41.80
CCCC(NC(=O)CNC(=O)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL000000004090	1	39	-1.0	-44.07	345.95	2.28	-41.80
CCCC(NC(=O)CNC(=O)C1=CC=C(F)C(F)=C1)C1=NNN=N1	REAL000000004090	1	40	0.0	-11.97	349.39	2.29	-9.69
CCCC(NC(=O)CNC(=O)C1=CC2=C(CCC2)S1)C1=NN=N[N-]1	REAL000000004091	0	43	-1.0	-45.32	371.35	3.17	-42.15
CCCC(NC(=O)CNC(=O)C1=CC2=C(CCC2)S1)C1=N[N-]N=N1	REAL000000004091	1	43	-1.0	-45.32	371.29	3.17	-42.15
CCCC(NC(=O)CNC(=O)C1=CC2=C(CCC2)S1)C1=NNN=N1	REAL000000004091	1	44	0.0	-10.06	367.53	2.86	-7.21
CCCC(NC(=O)CNC(=O)C1=C(F)C=CC=C1Cl)C1=NN=N[N-]1	REAL000000004092	0	39	-1.0	-48.69	359.10	2.47	-46.22
CCCC(NC(=O)CNC(=O)C1=C(F)C=CC=C1Cl)C1=N[N-]N=N1	REAL000000004092	1	39	-1.0	-48.68	359.04	2.47	-46.21
CCCC(NC(=O)CNC(=O)C1=C(F)C=CC=C1Cl)C1=NNN=N1	REAL000000004092	1	40	0.0	-14.82	362.48	2.48	-12.34
CCCC(NC(=O)C1=CC=C2C(=C1)CCN2C)C1=NN=N[N-]1	REAL000000004093	0	41	-1.0	-47.12	335.06	3.50	-43.62
CCCC(NC(=O)C1=CC=C2C(=C1)CCN2C)C1=N[N-]N=N1	REAL000000004093	1	41	-1.0	-47.12	335.00	3.50	-43.62
CCCC(NC(=O)C1=CC=C2C(=C1)CCN2C)C1=NNN=N1	REAL000000004093	1	42	0.0	-11.54	338.46	3.50	-8.03
CCCC(NC(=O)C(C#N)=CC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL000000004094	0	38	-1.0	-45.17	335.29	2.10	-43.07
CCCC(NC(=O)C(C#N)=CC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL000000004094	1	38	-1.0	-45.17	335.23	2.09	-43.08
CCCC(NC(=O)C(C#N)=CC1=CC=C(O)C=C1)C1=NNN=N1	REAL000000004094	1	39	0.0	-11.09	331.48	1.77	-9.32
CCCC(NC(=O)C1=CN(C)C(=O)C(CC)=C1)C1=NN=N[N-]1	REAL000000004095	0	41	-1.0	-45.55	341.40	3.88	-41.67
CCCC(NC(=O)C1=CN(C)C(=O)C(CC)=C1)C1=N[N-]N=N1	REAL000000004095	1	41	-1.0	-45.54	341.34	3.88	-41.66
CCCC(NC(=O)C1=CN(C)C(=O)C(CC)=C1)C1=NNN=N1	REAL000000004095	1	42	0.0	-14.57	344.78	3.89	-10.68
CCCC(NC(=O)C1CCN(C(=O)C(C)CSC)CC1)C1=NN=N[N-]1	REAL000000004096	0	52	-1.0	-51.55	417.01	5.16	-46.39
CCCC(NC(=O)C1CCN(C(=O)C(C)CSC)CC1)C1=N[N-]N=N1	REAL000000004096	1	52	-1.0	-51.54	416.95	5.16	-46.38
CCCC(NC(=O)C1CCN(C(=O)C(C)CSC)CC1)C1=NNN=N1	REAL000000004096	1	53	0.0	-14.29	420.92	5.18	-9.11
CCCC(NC(=O)C1=CN2C(=S)NN=C2C=C1)C1=NN=N[N-]1	REAL000000004097	0	35	-1.0	-51.79	318.23	4.62	-47.17
CCCC(NC(=O)C1=NN(C2=CC=CC(C#N)=C2)C=C1)C1=NN=N[N-]1	REAL000000004098	0	40	-1.0	-55.07	356.60	5.20	-49.87
CCCC(NC(=O)C1=NN(C2=CC=CC(C#N)=C2)C=C1)C1=N[N-]N=N1	REAL000000004098	1	40	-1.0	-55.07	356.54	5.20	-49.87
CCCC(NC(=O)C1=NN(C2=CC=CC(C#N)=C2)C=C1)C1=NNN=N1	REAL000000004098	1	41	0.0	-17.03	360.03	5.21	-11.82
CCCC(NC(=O)C1=C(Br)SC(C)=C1C)C1=NN=N[N-]1	REAL000000004099	0	35	-1.0	-47.27	330.11	4.51	-42.76
CCCC(NC(=O)C1=C(Br)SC(C)=C1C)C1=N[N-]N=N1	REAL000000004099	1	35	-1.0	-47.27	330.05	4.50	-42.77
CCCC(NC(=O)C1=C(Br)SC(C)=C1C)C1=NNN=N1	REAL000000004099	1	36	0.0	-9.62	333.50	4.52	-5.10
CCCC(NC(=O)[C@@H](C)NC(=O)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000004100	0	48	-1.0	-43.12	398.90	4.47	-38.65
CCCC(NC(=O)[C@@H](C)NC(=O)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000004100	1	48	-1.0	-43.11	398.84	4.46	-38.65
CCCC(NC(=O)[C@@H](C)NC(=O)CCC1=CC=CC=C1)C1=NNN=N1	REAL000000004100	1	49	0.0	-12.31	402.28	4.48	-7.83
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1C)C1=NN=N[N-]1	REAL000000004101	0	42	-1.0	-49.06	360.56	5.56	-43.49
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1C)C1=N[N-]N=N1	REAL000000004101	1	42	-1.0	-49.06	360.50	5.56	-43.50
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1C)C1=NNN=N1	REAL000000004101	1	43	0.0	-11.95	363.94	5.57	-6.38
CCCC(NC(=O)C(F)C1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000004102	0	38	-1.0	-43.53	341.51	5.34	-38.19
CCCC(NC(=O)C(F)C1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000004102	1	38	-1.0	-43.53	341.45	5.34	-38.18
CCCC(NC(=O)C(F)C1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000004102	1	39	0.0	-13.43	344.88	5.35	-8.08
CCCC(NC(=O)C1=CC2=C(C=N1)CCCC2)C1=NN=N[N-]1	REAL000000004103	0	41	-1.0	-47.60	334.31	4.41	-43.20
CCCC(NC(=O)C1=CC2=C(C=N1)CCCC2)C1=N[N-]N=N1	REAL000000004103	1	41	-1.0	-47.61	334.26	4.40	-43.21
CCCC(NC(=O)C1=CC2=C(C=N1)CCCC2)C1=NNN=N1	REAL000000004103	1	42	0.0	-10.14	337.69	4.41	-5.73
CCCC(NC(=O)CC1CCC(C(C)(C)CC)CC1)C1=NN=N[N-]1	REAL000000004104	0	56	-1.0	-44.33	394.81	6.91	-37.41
CCCC(NC(=O)CC1CCC(C(C)(C)CC)CC1)C1=N[N-]N=N1	REAL000000004104	1	56	-1.0	-44.33	394.75	6.91	-37.41
CCCC(NC(=O)CC1CCC(C(C)(C)CC)CC1)C1=NNN=N1	REAL000000004104	1	57	0.0	-9.08	405.20	7.15	-1.93
CCCC(NC(=O)CC(C)(C)CC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000004105	0	49	-1.0	-53.28	384.49	6.77	-46.51
CCCC(NC(=O)CC(C)(C)CC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000004105	1	49	-1.0	-53.28	384.43	6.76	-46.52
CCCC(NC(=O)CC(C)(C)CC(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000004105	1	50	0.0	-13.48	380.68	6.45	-7.03
CCCC(NC(=O)C1=CN=C(C2OCCO2)S1)C1=NN=N[N-]1	REAL000000004107	0	37	-1.0	-47.52	330.07	0.45	-47.07
CCCC(NC(=O)C1=CN=C(C2OCCO2)S1)C1=N[N-]N=N1	REAL000000004107	1	37	-1.0	-47.52	330.01	0.45	-47.07
CCCC(NC(=O)C1=CN=C(C2OCCO2)S1)C1=NNN=N1	REAL000000004107	1	38	0.0	-13.27	333.45	0.46	-12.81
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(=O)CC1=O)C1=NN=N[N-]1	REAL000000004108	0	42	-1.0	-48.87	371.24	4.65	-44.22
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(=O)CC1=O)C1=N[N-]N=N1	REAL000000004108	1	42	-1.0	-48.86	371.18	4.64	-44.23
CCCC(NC(=O)C(CCC)C1=CC=CC=N1)C1=NN=N[N-]1	REAL000000004109	0	43	-1.0	-46.35	348.48	4.64	-41.70
CCCC(NC(=O)C(CCC)C1=CC=CC=N1)C1=N[N-]N=N1	REAL000000004109	1	43	-1.0	-46.34	348.42	4.65	-41.69
CCCC(NC(=O)C(CCC)C1=CC=CC=N1)C1=NNN=N1	REAL000000004109	1	44	0.0	-7.97	344.45	4.28	-3.69
CCCC(NC(=O)C1=NN=C(C(C)(C)C)S1)C1=NN=N[N-]1	REAL000000004110	0	39	-1.0	-43.92	339.80	2.25	-41.67
CCCC(NC(=O)C1=NN=C(C(C)(C)C)S1)C1=N[N-]N=N1	REAL000000004110	1	39	-1.0	-43.92	339.74	2.25	-41.67
CCCC(NC(=O)C1=NN=C(C(C)(C)C)S1)C1=NNN=N1	REAL000000004110	1	40	0.0	-9.59	343.18	2.26	-7.33
CCCC(NC(=O)C1=CC=C2C(Br)=CC=CC2=C1)C1=NN=N[N-]1	REAL000000004111	0	38	-1.0	-45.74	338.79	6.41	-39.32
CCCC(NC(=O)C1=CC=C2C(Br)=CC=CC2=C1)C1=N[N-]N=N1	REAL000000004111	1	38	-1.0	-45.74	338.73	6.41	-39.33
CCCC(NC(=O)C1=CC=C2C(Br)=CC=CC2=C1)C1=NNN=N1	REAL000000004111	1	39	0.0	-7.90	334.96	6.09	-1.81
CCCC(NC(=O)C(C)C1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000004112	0	41	-1.0	-46.72	353.65	5.86	-40.86
CCCC(NC(=O)C(C)C1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000004112	1	41	-1.0	-46.72	353.59	5.86	-40.85
CCCC(NC(=O)C(C)C1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000004112	1	42	0.0	-8.69	349.84	5.55	-3.14
CCCC(NC(=O)C1CCC2=CC(C)=CC=C2O1)C1=NN=N[N-]1	REAL000000004113	0	43	-1.0	-49.62	352.50	5.97	-43.65
CCCC(NC(=O)C1CCC2=CC(C)=CC=C2O1)C1=N[N-]N=N1	REAL000000004113	1	43	-1.0	-49.62	352.44	5.97	-43.65
CCCC(NC(=O)C1CCC2=CC(C)=CC=C2O1)C1=NNN=N1	REAL000000004113	1	44	0.0	-14.35	355.88	5.98	-8.37
CCCC(NC(=O)C1=C(C2=C(Cl)C=CC=C2Cl)C=CN1)C1=NN=N[N-]1	REAL000000004114	0	40	-1.0	-50.03	372.36	5.98	-44.05
CCCC(NC(=O)C1=C(C2=C(Cl)C=CC=C2Cl)C=CN1)C1=N[N-]N=N1	REAL000000004114	1	40	-1.0	-50.03	372.30	5.99	-44.04
CCCC(NC(=O)C1=C(C2=C(Cl)C=CC=C2Cl)C=CN1)C1=NNN=N1	REAL000000004114	1	41	0.0	-14.11	375.74	5.99	-8.12
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(OC)C=C2F)S1)C1=NN=N[N-]1	REAL000000004115	0	45	-1.0	-46.27	391.32	4.48	-41.79
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(OC)C=C2F)S1)C1=N[N-]N=N1	REAL000000004115	1	45	-1.0	-46.27	391.26	4.47	-41.80
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(OC)C=C2F)S1)C1=NNN=N1	REAL000000004115	1	46	0.0	-11.03	394.68	4.49	-6.54
CCCC(NC(=O)C1=C(C)N=C2C(=C1)C=NN2CC)C1=NN=N[N-]1	REAL000000004116	0	43	-1.0	-46.76	356.89	4.33	-42.43
CCCC(NC(=O)C1=C(C)N=C2C(=C1)C=NN2CC)C1=N[N-]N=N1	REAL000000004116	1	43	-1.0	-46.76	356.84	4.33	-42.42
CCCC(NC(=O)C1=C(C)N=C2C(=C1)C=NN2CC)C1=NNN=N1	REAL000000004116	1	44	0.0	-10.72	353.10	4.02	-6.70
CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1OC)C1=NN=N[N-]1	REAL000000004117	0	38	-1.0	-51.30	327.41	5.28	-46.02
CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1OC)C1=N[N-]N=N1	REAL000000004117	1	38	-1.0	-51.29	327.35	5.28	-46.01
CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1OC)C1=NNN=N1	REAL000000004117	1	39	0.0	-19.00	330.75	5.29	-13.72
CCCC(NC(=O)C1=C2C(C(C)C)=NOC2=NC(CC)=C1)C1=NN=N[N-]1	REAL000000004118	0	48	-1.0	-43.91	384.66	3.51	-40.40
CCCC(NC(=O)C1=C2C(C(C)C)=NOC2=NC(CC)=C1)C1=N[N-]N=N1	REAL000000004118	1	48	-1.0	-43.90	384.60	3.50	-40.40
CCCC(NC(=O)C1=C2C(=NC(CC)=C1)ON=C2C(C)C)C1=NNN=N1	REAL000000004118	1	49	0.0	-13.75	398.55	3.23	-10.52
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1CC)C1=NN=N[N-]1	REAL000000004119	0	45	-1.0	-45.65	364.35	6.89	-38.75
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1CC)C1=N[N-]N=N1	REAL000000004119	1	45	-1.0	-45.64	364.29	6.88	-38.75
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1CC)C1=NNN=N1	REAL000000004119	1	46	0.0	-10.02	367.72	6.90	-3.12
CCCC(NC(=O)C1=CC2=C(N=C(N3CCCC3)S2)S1)C1=NN=N[N-]1	REAL000000004120	0	43	-1.0	-45.31	378.57	4.02	-41.29
CCCC(NC(=O)C1=CC2=C(N=C(N3CCCC3)S2)S1)C1=N[N-]N=N1	REAL000000004120	1	43	-1.0	-45.31	378.51	4.02	-41.29
CCCC(NC(=O)C1=CC2=C(N=C(N3CCCC3)S2)S1)C1=NNN=N1	REAL000000004120	1	44	0.0	-8.34	374.74	3.70	-4.63
CCCC(NC(=O)C1=C2C=CC=NC2=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000004121	0	37	-1.0	-46.15	326.16	4.61	-41.54
CCCC(NC(=O)C1=C2C=CC=NC2=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000004121	1	37	-1.0	-46.14	326.11	4.61	-41.53
CCCC(NC(=O)C1=C2C=CC=NC2=C(Cl)C=C1)C1=NNN=N1	REAL000000004121	1	38	0.0	-9.98	322.36	4.28	-5.70
CCCC(NC(=O)C1=CN=CC(OCCOC)=C1)C1=NN=N[N-]1	REAL000000004122	0	42	-1.0	-49.08	354.39	1.34	-47.74
CCCC(NC(=O)C1=CN=CC(OCCOC)=C1)C1=N[N-]N=N1	REAL000000004122	1	42	-1.0	-49.07	354.33	1.34	-47.74
CCCC(NC(=O)C1=CN=CC(OCCOC)=C1)C1=NNN=N1	REAL000000004122	1	43	0.0	-13.81	357.76	1.35	-12.47
CCCC(NC(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1N)C1=NN=N[N-]1	REAL000000004123	0	36	-1.0	-40.86	330.03	3.34	-37.52
CCCC(NC(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1N)C1=N[N-]N=N1	REAL000000004123	1	36	-1.0	-40.85	329.97	3.34	-37.51
CCCC(NC(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1N)C1=NNN=N1	REAL000000004123	1	37	0.0	-10.50	333.41	3.35	-7.14
CCCC(NC(=O)C1=C[N-]N2C1=NC=CC2=O)C1=NN=N[N-]1	REAL000000004124	0	34	-2.0	-92.09	304.27	1.44	-90.64
CCCC(NC(=O)C1=C[N-]N2C1=NC=CC2=O)C1=N[N-]N=N1	REAL000000004124	1	34	-2.0	-92.09	304.21	1.43	-90.66
CCCC(NC(=O)C1=C[N-]N2C1=NC=CC2=O)C1=NNN=N1	REAL000000004124	1	35	-1.0	-41.47	307.65	1.45	-40.02
CCCC(NC(=O)C1=CC=C(OC(=O)OCC)C=C1)C1=NN=N[N-]1	REAL000000004125	0	42	-1.0	-47.86	362.58	5.58	-42.28
CCCC(NC(=O)C1=CC=C(OC(=O)OCC)C=C1)C1=N[N-]N=N1	REAL000000004125	1	42	-1.0	-47.86	362.53	5.58	-42.29
CCCC(NC(=O)C1=CC=C(OC(=O)OCC)C=C1)C1=NNN=N1	REAL000000004125	1	43	0.0	-13.58	365.96	5.59	-8.00
CCCC(NC(=O)C1CC12CCC1=CC(Br)=CC=C12)C1=NN=N[N-]1	REAL000000004126	0	43	-1.0	-44.03	371.94	7.42	-36.61
CCCC(NC(=O)C1CC12CCC1=CC(Br)=CC=C12)C1=N[N-]N=N1	REAL000000004126	1	43	-1.0	-44.03	371.89	7.41	-36.62
CCCC(NC(=O)C1CC12CCC1=CC(Br)=CC=C12)C1=NNN=N1	REAL000000004126	1	44	0.0	-8.31	364.68	7.04	-1.27
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL000000004127	0	42	-1.0	-44.62	361.93	4.84	-39.77
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL000000004127	1	42	-1.0	-44.62	361.87	4.84	-39.77
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2)C=N1)C1=NNN=N1	REAL000000004127	1	43	0.0	-9.39	365.30	4.85	-4.54
CCCC(NC(=O)C1=C2N=NN(C)C2=NC=C1)C1=NN=N[N-]1	REAL000000004128	0	36	-1.0	-58.30	312.37	1.48	-56.81
CCCC(NC(=O)C1=C2N=NN(C)C2=NC=C1)C1=N[N-]N=N1	REAL000000004128	1	36	-1.0	-58.29	312.31	1.47	-56.82
CCCC(NC(=O)C1=C2N=NN(C)C2=NC=C1)C1=NNN=N1	REAL000000004128	1	37	0.0	-22.57	315.74	1.49	-21.08
CCCC(NC(=O)C1CCN(CC(F)F)CC1)C1=NN=N[N-]1	REAL000000004129	0	43	-1.0	-47.64	338.09	1.95	-45.69
CCCC(NC(=O)C1CCN(CC(F)F)CC1)C1=N[N-]N=N1	REAL000000004129	1	43	-1.0	-47.63	338.03	1.95	-45.68
CCCC(NC(=O)C1CCN(CC(F)F)CC1)C1=NNN=N1	REAL000000004129	1	44	0.0	-11.22	341.44	1.96	-9.25
CCCC(NC(=O)C1C2C3CC4C5CC(C2C35)C41)C1=NN=N[N-]1	REAL000000004130	0	45	-1.0	-46.91	334.10	5.97	-40.94
CCCC(NC(=O)C1C2C3CC4C5CC(C2C35)C41)C1=N[N-]N=N1	REAL000000004130	1	45	-1.0	-46.91	334.05	5.96	-40.94
CCCC(NC(=O)C1C2C3CC4C5CC(C2C35)C41)C1=NNN=N1	REAL000000004130	1	46	0.0	-9.72	337.51	5.92	-3.79
CCCC(NC(=O)C1=C(Br)N(C)N=C1C)C1=NN=N[N-]1	REAL000000004131	0	35	-1.0	-45.11	323.00	2.35	-42.75
CCCC(NC(=O)C1=C(Br)N(C)N=C1C)C1=N[N-]N=N1	REAL000000004131	1	35	-1.0	-45.10	322.95	2.35	-42.75
CCCC(NC(=O)C1=C(Br)N(C)N=C1C)C1=NNN=N1	REAL000000004131	1	36	0.0	-11.15	326.38	2.37	-8.79
CCCC(NC(=O)CC1=C(F)C=CC(Br)=C1F)C1=NN=N[N-]1	REAL000000004132	0	35	-1.0	-47.90	330.19	4.99	-42.91
CCCC(NC(=O)CC1=C(F)C=CC(Br)=C1F)C1=N[N-]N=N1	REAL000000004132	1	35	-1.0	-47.90	330.13	4.99	-42.91
CCCC(NC(=O)CC1=C(F)C=CC(Br)=C1F)C1=NNN=N1	REAL000000004132	1	36	0.0	-11.82	333.57	5.00	-6.83
CCCC(NC(=O)CN1C(=O)C2=CC=CC=C2N=C1C)C1=NN=N[N-]1	REAL000000004133	0	43	-1.0	-60.69	361.99	4.74	-55.95
CCCC(NC(=O)CN1C(=O)C2=CC=CC=C2N=C1C)C1=N[N-]N=N1	REAL000000004133	1	43	-1.0	-60.69	361.93	4.73	-55.96
CCCC(NC(=O)CN1C(=O)C2=CC=CC=C2N=C1C)C1=NNN=N1	REAL000000004133	1	44	0.0	-21.95	364.56	4.68	-17.27
CCCC(NC(=O)C1=C(N)N(CC(OCC)OCC)N=C1)C1=NN=N[N-]1	REAL000000004134	0	51	-1.0	-46.52	414.73	2.06	-44.46
CCCC(NC(=O)C1=C(N)N(CC(OCC)OCC)N=C1)C1=N[N-]N=N1	REAL000000004134	1	51	-1.0	-46.52	414.67	2.06	-44.46
CCCC(NC(=O)C1=C(N)N(CC(OCC)OCC)N=C1)C1=NNN=N1	REAL000000004134	1	52	0.0	-11.41	418.15	2.06	-9.35
CCCC(NC(=O)C1=COC2=CC=C(OC)C=C12)C1=NN=N[N-]1	REAL000000004135	0	39	-1.0	-55.28	332.51	3.28	-52.01
CCCC(NC(=O)C1=COC2=CC=C(OC)C=C12)C1=N[N-]N=N1	REAL000000004135	1	39	-1.0	-55.28	332.45	3.28	-52.01
CCCC(NC(=O)C1=COC2=CC=C(OC)C=C12)C1=NNN=N1	REAL000000004135	1	40	0.0	-17.99	335.89	3.29	-14.70
CCCC(NC(=O)C1=C2C(CC(C)(C)C)=NOC2=NC(CC)=C1)C1=NN=N[N-]1	REAL000000004136	0	54	-1.0	-44.47	421.09	5.09	-39.38
CCCC(NC(=O)C1=C2C(CC(C)(C)C)=NOC2=NC(CC)=C1)C1=N[N-]N=N1	REAL000000004136	1	54	-1.0	-44.45	421.04	5.09	-39.37
CCCC(NC(=O)C1=C2C(CC(C)(C)C)=NOC2=NC(CC)=C1)C1=NNN=N1	REAL000000004136	1	55	0.0	-14.21	424.30	5.09	-9.12
CCCC1=NOC2=NC(CC)=CC(C(=O)NC(CCC)C3=NN=N[N-]3)=C12	REAL000000004137	0	48	-1.0	-45.59	391.62	3.47	-42.12
CCCC1=NOC2=NC(CC)=CC(C(=O)NC(CCC)C3=N[N-]N=N3)=C12	REAL000000004137	1	48	-1.0	-45.58	391.56	3.46	-42.13
CCCC1=NOC2=NC(CC)=CC(C(=O)NC(CCC)C3=NNN=N3)=C12	REAL000000004137	1	49	0.0	-15.14	392.91	3.73	-11.41
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000004138	0	42	-1.0	-59.95	370.45	1.54	-58.40
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000004138	1	42	-1.0	-59.94	370.39	1.53	-58.41
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000004138	1	43	0.0	-23.57	373.83	1.55	-22.02
CCCC(NC(=O)C1=CC(Br)=CC2=NNN=C21)C1=NN=N[N-]1	REAL000000004139	0	34	-1.0	-48.83	316.13	1.60	-47.23
CCCC(NC(=O)C1=CC(Br)=CC2=NNN=C21)C1=N[N-]N=N1	REAL000000004139	1	34	-1.0	-48.83	316.07	1.59	-47.24
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C(C)C)C1=NN=N[N-]1	REAL000000004140	0	54	-1.0	-52.30	415.18	3.41	-48.89
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C(C)C)C1=N[N-]N=N1	REAL000000004140	1	54	-1.0	-52.30	415.13	3.41	-48.89
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C(C)C)C1=NNN=N1	REAL000000004140	1	55	0.0	-16.16	418.56	3.42	-12.74
CCCC(NC(=O)C1=C(C)N(C)C2=NN=NN2C1)C1=NN=N[N-]1	REAL000000004141	0	40	-1.0	-48.81	333.97	3.39	-45.42
CCCC(NC(=O)C1=C(C)N(C)C2=NN=NN2C1)C1=N[N-]N=N1	REAL000000004141	1	40	-1.0	-48.79	333.91	3.39	-45.40
CCCC(NC(=O)C1=C(C)N(C)C2=NN=NN2C1)C1=NNN=N1	REAL000000004141	1	41	0.0	-12.98	337.34	3.40	-9.58
CCCC(NC(=O)C1=CN=CC(N2C=CN=N2)=C1)C1=NN=N[N-]1	REAL000000004142	0	37	-1.0	-54.34	321.93	1.76	-52.58
CCCC(NC(=O)C1=CN=CC(N2C=CN=N2)=C1)C1=N[N-]N=N1	REAL000000004142	1	37	-1.0	-54.34	321.87	1.75	-52.59
CCCC(NC(=O)C1=CN=CC(N2C=CN=N2)=C1)C1=NNN=N1	REAL000000004142	1	38	0.0	-19.45	325.30	1.77	-17.68
CCCC(NC(=O)C1=CN2C=C(Cl)C=C(Cl)C2=N1)C1=NN=N[N-]1	REAL000000004143	0	35	-1.0	-46.40	338.30	5.09	-41.31
CCCC(NC(=O)C1=CN2C=C(Cl)C=C(Cl)C2=N1)C1=N[N-]N=N1	REAL000000004143	1	35	-1.0	-46.40	338.24	5.08	-41.32
CCCC(NC(=O)C1=CN2C=C(Cl)C=C(Cl)C2=N1)C1=NNN=N1	REAL000000004143	1	36	0.0	-9.31	334.50	4.76	-4.55
CCCC(NC(=O)C1=C(C)N(CCOC2=CC=C(F)C=C2)N=N1)C1=NN=N[N-]1	REAL000000004144	0	48	-1.0	-46.44	409.19	4.01	-42.44
CCCC(NC(=O)C1=C(C)N(CCOC2=CC=C(F)C=C2)N=N1)C1=N[N-]N=N1	REAL000000004144	1	48	-1.0	-46.43	409.13	4.00	-42.44
CCCC(NC(=O)C1=C(C)N(CCOC2=CC=C(F)C=C2)N=N1)C1=NNN=N1	REAL000000004144	1	49	0.0	-12.50	412.57	4.00	-8.50
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2OC)N=C1)C1=NN=N[N-]1	REAL000000004145	0	46	-1.0	-50.71	381.46	4.75	-45.96
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2OC)N=C1)C1=N[N-]N=N1	REAL000000004145	1	46	-1.0	-50.71	381.40	4.75	-45.96
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2OC)N=C1)C1=NNN=N1	REAL000000004145	1	47	0.0	-12.57	377.52	4.43	-8.14
CCCC(NC(=O)C1=CC=C(C(N)=O)C(Cl)=N1)C1=NN=N[N-]1	REAL000000004146	0	35	-1.0	-48.89	318.92	-0.84	-49.73
CCCC(NC(=O)C1=CC=C(C(N)=O)C(Cl)=N1)C1=N[N-]N=N1	REAL000000004146	1	35	-1.0	-48.88	318.87	-0.85	-49.73
CCCC(NC(=O)C1=CC=C(C(N)=O)C(Cl)=N1)C1=NNN=N1	REAL000000004146	1	36	0.0	-13.92	315.12	-1.17	-15.09
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL000000004147	0	43	-1.0	-52.44	369.91	1.57	-50.87
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL000000004147	1	43	-1.0	-52.43	369.85	1.56	-50.88
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)N(C)C)=C1)C1=NNN=N1	REAL000000004147	1	44	0.0	-18.80	375.24	1.61	-17.20
CCCC(NC(=O)C1=NN2C=CC(Cl)=CC2=C1)C1=NN=N[N-]1	REAL000000004148	0	35	-1.0	-47.38	322.41	3.81	-43.58
CCCC(NC(=O)C1=NN2C=CC(Cl)=CC2=C1)C1=N[N-]N=N1	REAL000000004148	1	35	-1.0	-47.39	322.36	3.80	-43.60
CCCC(NC(=O)C1=NN2C=CC(Cl)=CC2=C1)C1=NNN=N1	REAL000000004148	1	36	0.0	-11.40	325.79	3.82	-7.58
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000004149	0	39	-1.0	-50.34	346.63	-0.12	-50.46
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000004149	1	39	-1.0	-50.34	346.57	-0.12	-50.46
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000004149	1	40	0.0	-20.84	350.40	-0.12	-20.97
CCCC(NC(=O)C1=CC=C2NC(=O)NC2=N1)C1=NN=N[N-]1	REAL000000004150	0	35	-1.0	-46.78	307.19	-0.24	-47.02
CCCC(NC(=O)C1=CC=C2NC(=O)NC2=N1)C1=N[N-]N=N1	REAL000000004150	1	35	-1.0	-46.78	307.13	-0.24	-47.01
CCCC(NC(=O)C1=CC=C2NC(=O)NC2=N1)C1=NNN=N1	REAL000000004150	1	36	0.0	-13.00	310.56	-0.23	-13.24
CCCC(NC(=O)C1=CSC2=CC(C)=CC=C12)C1=NN=N[N-]1	REAL000000004151	0	38	-1.0	-49.00	330.12	5.63	-43.37
CCCC(NC(=O)C1=CSC2=CC(C)=CC=C12)C1=N[N-]N=N1	REAL000000004151	1	38	-1.0	-49.01	330.06	5.63	-43.38
CCCC(NC(=O)C1=CSC2=CC(C)=CC=C12)C1=NNN=N1	REAL000000004151	1	39	0.0	-12.20	333.50	5.64	-6.56
CCCC(NC(=O)CN1CCC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL000000004152	0	43	-1.0	-52.59	357.80	4.77	-47.82
CCCC(NC(=O)CN1CCC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL000000004152	1	43	-1.0	-52.59	357.75	4.76	-47.83
CCCC(NC(=O)CN1CCC2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000004152	1	44	0.0	-21.48	361.18	4.77	-16.71
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(N(C)C)C=C1F)C1=NN=N[N-]1	REAL000000004153	0	42	-1.0	-46.01	358.99	5.02	-41.00
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(N(C)C)C=C1F)C1=N[N-]N=N1	REAL000000004153	1	42	-1.0	-46.01	358.93	5.02	-41.00
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(N(C)C)C=C1F)C1=NNN=N1	REAL000000004153	1	43	0.0	-12.27	362.37	5.03	-7.25
CCCC(NC(=O)CCCC(=O)C1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000004154	0	43	-1.0	-54.78	383.38	6.36	-48.42
CCCC(NC(=O)CCCC(=O)C1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000004154	1	43	-1.0	-54.78	383.33	6.35	-48.43
CCCC(NC(=O)CCCC(=O)C1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000004154	1	44	0.0	-19.21	386.76	6.37	-12.84
CCCC(NC(=O)C1=CC=C(NC(C)C)N=C1)C1=NN=N[N-]1	REAL000000004155	0	42	-1.0	-46.46	344.57	3.04	-43.43
CCCC(NC(=O)C1=CC=C(NC(C)C)N=C1)C1=N[N-]N=N1	REAL000000004155	1	42	-1.0	-46.46	344.51	3.03	-43.44
CCCC(NC(=O)C1=CC=C(NC(C)C)N=C1)C1=NNN=N1	REAL000000004155	1	43	0.0	-8.16	340.78	2.71	-5.45
CCCC(NC(=O)C1=CC=C(OC(F)(F)Cl)C=C1)C1=NN=N[N-]1	REAL000000004156	0	36	-1.0	-43.22	330.73	3.97	-39.25
CCCC(NC(=O)C1=CC=C(OC(F)(F)Cl)C=C1)C1=N[N-]N=N1	REAL000000004156	1	36	-1.0	-43.22	330.67	3.96	-39.26
CCCC(NC(=O)C1=CC=C(OC(F)(F)Cl)C=C1)C1=NNN=N1	REAL000000004156	1	37	0.0	-9.39	334.11	3.98	-5.41
CCCC(NC(=O)C1CN(C)C(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000004157	0	43	-1.0	-58.88	353.50	4.37	-54.52
CCCC(NC(=O)C1CN(C)C(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000004157	1	43	-1.0	-58.88	353.45	4.36	-54.52
CCCC(NC(=O)C1CN(C)C(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000004157	1	44	0.0	-20.92	357.25	4.35	-16.57
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CC(F)(F)F)C1=NN=N[N-]1	REAL000000004158	0	42	-1.0	-47.46	364.06	6.44	-41.02
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CC(F)(F)F)C1=N[N-]N=N1	REAL000000004158	1	42	-1.0	-47.46	364.00	6.43	-41.03
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CC(F)(F)F)C1=NNN=N1	REAL000000004158	1	43	0.0	-11.53	368.26	6.46	-5.08
CCCCCCCCCC(C)CC(=O)NC(CCC)C1=NN=N[N-]1	REAL000000004159	0	58	-1.0	-44.72	445.90	8.84	-35.88
CCCCCCCCCC(C)CC(=O)NC(CCC)C1=N[N-]N=N1	REAL000000004159	1	58	-1.0	-44.72	445.84	8.83	-35.89
CCCCCCCCCC(C)CC(=O)NC(CCC)C1=NNN=N1	REAL000000004159	1	59	0.0	-9.18	449.29	8.85	-0.33
CCCC(NC(=O)CC(C)C1=CNC2=CC=CC=C12)C1=NN=N[N-]1	REAL000000004160	0	45	-1.0	-51.18	368.39	5.70	-45.49
CCCC(NC(=O)CC(C)C1=CNC2=CC=CC=C12)C1=N[N-]N=N1	REAL000000004160	1	45	-1.0	-51.18	368.34	5.70	-45.48
CCCC(NC(=O)CC(C)C1=CNC2=CC=CC=C12)C1=NNN=N1	REAL000000004160	1	46	0.0	-12.77	371.77	5.71	-7.06
CCCC(NC(=O)C(CC(N)=O)NC(=O)C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL000000004161	0	46	-1.0	-53.50	402.70	0.69	-52.81
CCCC(NC(=O)C(CC(N)=O)NC(=O)C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL000000004161	1	46	-1.0	-53.51	402.64	0.69	-52.82
CCCC(NC(=O)C(CC(N)=O)NC(=O)C1=CC=CC=C1Cl)C1=NNN=N1	REAL000000004161	1	47	0.0	-28.08	405.63	0.62	-27.46
CCCC(NC(=O)CNS(=O)(=O)C1=CNC2=NC=CC=C12)C1=NN=N[N-]1	REAL000000004162	0	43	-1.0	-53.82	374.64	-1.06	-54.88
CCCC(NC(=O)CNS(=O)(=O)C1=CNC2=NC=CC=C12)C1=N[N-]N=N1	REAL000000004162	1	43	-1.0	-53.82	374.58	-1.07	-54.89
CCCC(NC(=O)CNS(=O)(=O)C1=CNC2=NC=CC=C12)C1=NNN=N1	REAL000000004162	1	44	0.0	-20.13	378.01	-1.06	-21.19
CCCC(NC(=O)C1=CC(O)=C2C=CSC2=C1)C1=NN=N[N-]1	REAL000000004163	0	36	-1.0	-48.09	322.09	2.16	-45.94
CCCC(NC(=O)C1=CC(O)=C2C=CSC2=C1)C1=N[N-]N=N1	REAL000000004163	1	36	-1.0	-48.10	322.03	2.16	-45.94
CCCC(NC(=O)C1=NC2=CC=CN=C2S1)C1=NN=N[N-]1	REAL000000004164	0	33	-1.0	-50.25	303.76	1.18	-49.06
CCCC(NC(=O)C1=NC2=CC=CN=C2S1)C1=N[N-]N=N1	REAL000000004164	1	33	-1.0	-50.25	303.70	1.19	-49.06
CCCC(NC(=O)C1=NC2=CC=CN=C2S1)C1=NNN=N1	REAL000000004164	1	34	0.0	-12.44	299.96	0.86	-11.58
CCCC(NC(=O)C1=CC=C(Cl)C(N)=C1Cl)C1=NN=N[N-]1	REAL000000004165	0	34	-1.0	-45.25	313.93	2.68	-42.57
CCCC(NC(=O)C1=CC=C(Cl)C(N)=C1Cl)C1=N[N-]N=N1	REAL000000004165	1	34	-1.0	-45.24	313.87	2.68	-42.56
CCCC(NC(=O)C1=CC=C(Cl)C(N)=C1Cl)C1=NNN=N1	REAL000000004165	1	35	0.0	-10.94	317.31	2.69	-8.24
CCCC(NC(=O)C1=CC=C(NCC2CC2)N=C1)C1=NN=N[N-]1	REAL000000004166	0	43	-1.0	-46.14	357.12	3.91	-42.23
CCCC(NC(=O)C1=CC=C(NCC2CC2)N=C1)C1=N[N-]N=N1	REAL000000004166	1	43	-1.0	-46.13	357.06	3.90	-42.23
CCCC(NC(=O)C1=CC=C(NCC2CC2)N=C1)C1=NNN=N1	REAL000000004166	1	44	0.0	-10.86	360.49	3.92	-6.95
CCCC(NC(=O)C1CCCC2=NN(C)C=C21)C1=NN=N[N-]1	REAL000000004167	0	42	-1.0	-47.65	336.61	3.92	-43.73
CCCC(NC(=O)C1CCCC2=NN(C)C=C21)C1=N[N-]N=N1	REAL000000004167	1	42	-1.0	-47.66	336.55	3.92	-43.74
CCCC(NC(=O)C1CCCC2=NN(C)C=C21)C1=NNN=N1	REAL000000004167	1	43	0.0	-13.37	340.17	3.93	-9.44
CCCC(NC(=O)C1=C(C)N=C(C2CC2)S1)C1=NN=N[N-]1	REAL000000004168	0	38	-1.0	-44.97	331.67	3.80	-41.16
CCCC(NC(=O)C1=C(C)N=C(C2CC2)S1)C1=N[N-]N=N1	REAL000000004168	1	38	-1.0	-44.96	331.62	3.80	-41.16
CCCC(NC(=O)C1=C(C)N=C(C2CC2)S1)C1=NNN=N1	REAL000000004168	1	39	0.0	-10.20	335.05	3.81	-6.38
CCCC(NC(=O)C1(C2=CN=CC(Br)=C2)CC1)C1=NN=N[N-]1	REAL000000004169	0	38	-1.0	-48.74	342.05	4.16	-44.58
CCCC(NC(=O)C1(C2=CN=CC(Br)=C2)CC1)C1=N[N-]N=N1	REAL000000004169	1	38	-1.0	-48.74	342.00	4.16	-44.58
CCCC(NC(=O)C1(C2=CN=CC(Br)=C2)CC1)C1=NNN=N1	REAL000000004169	1	39	0.0	-10.27	345.56	4.17	-6.11
CCCC(NC(=O)C1=CC=CC(NC(=O)OC(C)(C)C)=N1)C1=NN=N[N-]1	REAL000000004170	0	48	-1.0	-54.28	394.83	3.62	-50.66
CCCC(NC(=O)C1=CC=CC(NC(=O)OC(C)(C)C)=N1)C1=N[N-]N=N1	REAL000000004170	1	48	-1.0	-54.28	394.77	3.62	-50.66
CCCC(NC(=O)C1=CC=CC(NC(=O)OC(C)(C)C)=N1)C1=NNN=N1	REAL000000004170	1	49	0.0	-14.30	398.21	3.63	-10.68
CCCC(NC(=O)CC1=C(Br)C(=O)NC=C1)C1=NN=N[N-]1	REAL000000004171	0	35	-1.0	-49.88	320.86	1.76	-48.12
CCCC(NC(=O)CC1=C(Br)C(=O)NC=C1)C1=N[N-]N=N1	REAL000000004171	1	35	-1.0	-49.87	320.81	1.75	-48.12
CCCC(NC(=O)CC1=C(Br)C(=O)NC=C1)C1=NNN=N1	REAL000000004171	1	36	0.0	-22.29	324.25	1.76	-20.52
CCCC(NC(=O)CCCC(C)C1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL000000004172	0	51	-1.0	-48.67	407.14	6.35	-42.32
CCCC(NC(=O)CCCC(C)C1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL000000004172	1	51	-1.0	-48.66	407.09	6.36	-42.31
CCCC(NC(=O)CCCC(C)C1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000004172	1	52	0.0	-12.96	410.53	6.36	-6.59
CCCC(NC(=O)C1=CN(C2=CC(C)=CC(F)=C2)N=N1)C1=NN=N[N-]1	REAL000000004173	0	41	-1.0	-44.89	359.51	4.07	-40.82
CCCC(NC(=O)C1=CN(C2=CC(C)=CC(F)=C2)N=N1)C1=N[N-]N=N1	REAL000000004173	1	41	-1.0	-44.89	359.46	4.07	-40.82
CCCC(NC(=O)C1=CN(C2=CC(C)=CC(F)=C2)N=N1)C1=NNN=N1	REAL000000004173	1	42	0.0	-10.41	362.89	4.08	-6.33
CCCC(NC(=O)C1CCCC2=C1N=C(C)S2)C1=NN=N[N-]1	REAL000000004174	0	41	-1.0	-47.14	343.20	4.41	-42.73
CCCC(NC(=O)C1CCCC2=C1N=C(C)S2)C1=N[N-]N=N1	REAL000000004174	1	41	-1.0	-47.15	343.14	4.40	-42.75
CCCC(NC(=O)C1CCCC2=C1N=C(C)S2)C1=NNN=N1	REAL000000004174	1	42	0.0	-7.83	339.74	4.10	-3.73
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=CN1)C1=NN=N[N-]1	REAL000000004175	0	40	-1.0	-49.08	355.84	5.49	-43.59
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=CN1)C1=N[N-]N=N1	REAL000000004175	1	40	-1.0	-49.08	355.78	5.49	-43.60
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=CN1)C1=NNN=N1	REAL000000004175	1	41	0.0	-14.50	359.21	5.51	-9.00
CCCC(NC(=O)C1=C(C)C2=CC(C)=C(C)C=C2S1)C1=NN=N[N-]1	REAL000000004176	0	44	-1.0	-46.32	367.06	6.90	-39.41
CCCC(NC(=O)C1=C(C)C2=CC(C)=C(C)C=C2S1)C1=N[N-]N=N1	REAL000000004176	1	44	-1.0	-46.32	367.00	6.90	-39.42
CCCC(NC(=O)C1=C(C)C2=CC(C)=C(C)C=C2S1)C1=NNN=N1	REAL000000004176	1	45	0.0	-9.78	370.44	6.92	-2.87
CCCC(NC(=O)C1CC(=O)NC2=CC=C(Br)C=C21)C1=NN=N[N-]1	REAL000000004177	0	40	-1.0	-47.57	355.95	3.27	-44.30
CCCC(NC(=O)C1CC(=O)NC2=CC=C(Br)C=C21)C1=N[N-]N=N1	REAL000000004177	1	40	-1.0	-47.57	355.89	3.27	-44.30
CCCC(NC(=O)C1CC(=O)NC2=CC=C(Br)C=C21)C1=NNN=N1	REAL000000004177	1	41	0.0	-12.70	352.14	2.95	-9.75
CCCC(NC(=O)CC1CC(C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000004178	0	45	-1.0	-46.36	362.71	6.86	-39.50
CCCC(NC(=O)CC1CC(C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000004178	1	45	-1.0	-46.36	362.66	6.86	-39.49
CCCC(NC(=O)CC1CC(C2=CC=CC=C2)C1)C1=NNN=N1	REAL000000004178	1	46	0.0	-10.96	367.08	6.91	-4.05
CCCC(NC(=O)C1=CC=CC(F)=C1SC)C1=NN=N[N-]1	REAL000000004179	0	36	-1.0	-48.21	320.12	4.81	-43.41
CCCC(NC(=O)C1=CC=CC(F)=C1SC)C1=N[N-]N=N1	REAL000000004179	1	36	-1.0	-48.22	320.06	4.81	-43.41
CCCC(NC(=O)C1=CC=CC(F)=C1SC)C1=NNN=N1	REAL000000004179	1	37	0.0	-14.11	323.50	4.82	-9.29
CCCC(NC(=O)[C@H](C)OC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000004180	0	39	-1.0	-47.12	345.82	5.46	-41.66
CCCC(NC(=O)[C@H](C)OC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000004180	1	39	-1.0	-47.11	345.76	5.46	-41.65
CCCC(NC(=O)[C@H](C)OC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000004180	1	40	0.0	-13.33	349.20	5.46	-7.86
CCCC(NC(=O)C(CCC(F)(F)F)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000004181	0	51	-1.0	-42.59	416.20	3.02	-39.57
CCCC(NC(=O)C(CCC(F)(F)F)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000004181	1	51	-1.0	-42.59	416.14	3.02	-39.57
CCCC(NC(=O)C(CCC(F)(F)F)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004181	1	52	0.0	-10.52	419.58	3.03	-7.49
CCCC(NC(=O)C1=CC(S(=O)(=O)C2CCCC2)=CC=C1F)C1=NN=N[N-]1	REAL000000004182	0	48	-1.0	-51.39	402.62	4.08	-47.31
CCCC(NC(=O)C1=CC(S(=O)(=O)C2CCCC2)=CC=C1F)C1=N[N-]N=N1	REAL000000004182	1	48	-1.0	-51.39	402.56	4.08	-47.31
CCCC(NC(=O)C1=CC(S(=O)(=O)C2CCCC2)=CC=C1F)C1=NNN=N1	REAL000000004182	1	49	0.0	-14.83	398.82	3.77	-11.06
CCCC(NC(=O)C1=CN(C2=CC=C(Cl)C(Cl)=C2)C=N1)C1=NN=N[N-]1	REAL000000004183	0	39	-1.0	-50.07	366.09	6.90	-43.17
CCCC(NC(=O)C1=CN(C2=CC=C(Cl)C(Cl)=C2)C=N1)C1=N[N-]N=N1	REAL000000004183	1	39	-1.0	-50.07	366.04	6.90	-43.17
CCCC(NC(=O)C1=CN(C2=CC=C(Cl)C(Cl)=C2)C=N1)C1=NNN=N1	REAL000000004183	1	40	0.0	-13.44	369.47	6.91	-6.53
CCCC(NC(=O)C1=CC=C(C)C(C(C)=O)=C1)C1=NN=N[N-]1	REAL000000004184	0	40	-1.0	-45.43	332.98	4.83	-40.60
CCCC(NC(=O)C1=CC=C(C)C(C(C)=O)=C1)C1=N[N-]N=N1	REAL000000004184	1	40	-1.0	-45.44	332.92	4.82	-40.61
CCCC(NC(=O)C1=CC=C(C)C(C(C)=O)=C1)C1=NNN=N1	REAL000000004184	1	41	0.0	-9.30	327.06	4.42	-4.88
CCCC(NC(=O)CC1=CC(OC)=C(O)C(OC)=C1)C1=NN=N[N-]1	REAL000000004185	0	44	-1.0	-51.30	368.46	1.37	-49.93
CCCC(NC(=O)CC1=CC(OC)=C(O)C(OC)=C1)C1=N[N-]N=N1	REAL000000004185	1	44	-1.0	-51.30	368.40	1.36	-49.93
CCCC(NC(=O)CC1=CC(OC)=C(O)C(OC)=C1)C1=NNN=N1	REAL000000004185	1	45	0.0	-17.90	371.83	1.38	-16.52
CCCC(NC(=O)C1CCC(C(F)(F)F)CC1)C1=NN=N[N-]1	REAL000000004186	0	41	-1.0	-47.06	330.98	4.68	-42.38
CCCC(NC(=O)C1CCC(C(F)(F)F)CC1)C1=N[N-]N=N1	REAL000000004186	1	41	-1.0	-47.06	330.92	4.67	-42.39
CCCC(NC(=O)C1CCC(C(F)(F)F)CC1)C1=NNN=N1	REAL000000004186	1	42	0.0	-8.56	322.63	4.21	-4.35
CCCC(NC(=O)CC1=CC=CC=C1NC(C)=O)C1=NN=N[N-]1	REAL000000004187	0	42	-1.0	-49.47	352.19	3.42	-46.06
CCCC(NC(=O)CC1=CC=CC=C1NC(C)=O)C1=N[N-]N=N1	REAL000000004187	1	42	-1.0	-49.47	352.13	3.42	-46.05
CCCC(NC(=O)CC1=CC=CC=C1NC(C)=O)C1=NNN=N1	REAL000000004187	1	43	0.0	-17.25	355.56	3.43	-13.82
CCCC(NC(=O)C1=CC=C(OC)C(C2CC2)=C1)C1=NN=N[N-]1	REAL000000004188	0	43	-1.0	-47.85	351.81	5.13	-42.72
CCCC(NC(=O)C1=CC=C(OC)C(C2CC2)=C1)C1=N[N-]N=N1	REAL000000004188	1	43	-1.0	-47.85	351.75	5.12	-42.72
CCCC(NC(=O)C1=CC=C(OC)C(C2CC2)=C1)C1=NNN=N1	REAL000000004188	1	44	0.0	-12.11	355.20	5.14	-6.97
CCCC(NC(=O)C1=CC=C(OC)C(OCCO)=C1)C1=NN=N[N-]1	REAL000000004189	0	44	-1.0	-51.84	366.20	0.76	-51.08
CCCC(NC(=O)C1=CC=C(OC)C(OCCO)=C1)C1=N[N-]N=N1	REAL000000004189	1	44	-1.0	-51.83	366.14	0.75	-51.09
CCCC(NC(=O)C1=CC=C(OC)C(OCCO)=C1)C1=NNN=N1	REAL000000004189	1	45	0.0	-13.47	362.37	0.43	-13.03
CCCC(NC(=O)C1=C2C=CC=CC2=C(F)C=C1)C1=NN=N[N-]1	REAL000000004190	0	38	-1.0	-46.45	321.37	5.92	-40.53
CCCC(NC(=O)C1=C2C=CC=CC2=C(F)C=C1)C1=N[N-]N=N1	REAL000000004190	1	38	-1.0	-46.45	321.31	5.92	-40.52
CCCC(NC(=O)C1=C2C=CC=CC2=C(F)C=C1)C1=NNN=N1	REAL000000004190	1	39	0.0	-11.34	324.74	5.93	-5.41
CCCC(NC(=O)CC(CNC(=O)OC(C)(C)C)OC)C1=NN=N[N-]1	REAL000000004191	0	52	-1.0	-46.62	412.43	1.78	-44.84
CCCC(NC(=O)CC(CNC(=O)OC(C)(C)C)OC)C1=N[N-]N=N1	REAL000000004191	1	52	-1.0	-46.61	412.37	1.78	-44.84
CCCC(NC(=O)CC(CNC(=O)OC(C)(C)C)OC)C1=NNN=N1	REAL000000004191	1	53	0.0	-11.04	407.99	1.40	-9.64
CCCC(NC(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)C1=NN=N[N-]1	REAL000000004192	0	39	0.0	-76.40	334.25	3.52	-72.88
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(C)CCO)C=C1)C1=NN=N[N-]1	REAL000000004193	0	47	-1.0	-53.27	399.84	0.29	-52.98
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(C)CCO)C=C1)C1=N[N-]N=N1	REAL000000004193	1	47	-1.0	-53.27	399.78	0.29	-52.98
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(C)CCO)C=C1)C1=NNN=N1	REAL000000004193	1	48	0.0	-16.07	400.95	-0.70	-16.77
CCCC(NC(=O)C1=C(C)OC(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000004194	0	37	-1.0	-48.12	332.66	-2.57	-50.69
CCCC(NC(=O)C1=C(C)OC(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000004194	1	37	-1.0	-48.11	332.61	-2.57	-50.68
CCCC(NC(=O)C1=C(C)OC(S(N)(=O)=O)=C1)C1=NNN=N1	REAL000000004194	1	38	0.0	-13.84	328.79	-2.89	-16.73
CCCC(NC(=O)COC1=CC=C([N+](=O)[O-])C(C)=C1)C1=NN=N[N-]1	REAL000000004195	0	41	-1.0	-48.76	352.08	5.40	-43.36
CCCC(NC(=O)COC1=CC=C([N+](=O)[O-])C(C)=C1)C1=N[N-]N=N1	REAL000000004195	1	41	-1.0	-48.76	352.02	5.40	-43.36
CCCC(NC(=O)COC1=CC=C([N+](=O)[O-])C(C)=C1)C1=NNN=N1	REAL000000004195	1	42	0.0	-17.31	355.46	5.41	-11.90
CCCC(NC(=O)C(F)(F)C1=NC=CC=C1C)C1=NN=N[N-]1	REAL000000004196	0	37	-1.0	-48.61	317.80	3.80	-44.80
CCCC(NC(=O)C(F)(F)C1=NC=CC=C1C)C1=N[N-]N=N1	REAL000000004196	1	37	-1.0	-48.61	317.75	3.79	-44.82
CCCC(NC(=O)C(F)(F)C1=NC=CC=C1C)C1=NNN=N1	REAL000000004196	1	38	0.0	-11.88	321.18	3.81	-8.07
CCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C1=NN=N[N-]1	REAL000000004197	0	42	-2.0	-124.32	367.30	3.54	-120.78
CCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C1=N[N-]N=N1	REAL000000004197	1	42	-2.0	-124.33	367.24	3.53	-120.79
CCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C1=NNN=N1	REAL000000004197	1	43	-1.0	-64.97	370.67	3.55	-61.41
CCCC(NC(=O)C(CC(N)=O)NC(=O)CC(C)C)C1=NN=N[N-]1	REAL000000004198	0	48	-1.0	-50.33	387.65	-0.01	-50.34
CCCC(NC(=O)C(CC(N)=O)NC(=O)CC(C)C)C1=N[N-]N=N1	REAL000000004198	1	48	-1.0	-50.33	387.59	-0.02	-50.35
CCCC(NC(=O)C(CC(N)=O)NC(=O)CC(C)C)C1=NNN=N1	REAL000000004198	1	49	0.0	-12.44	383.88	-0.42	-12.86
CCCC(NC(=O)CC1=CC=C([Si](C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000004199	0	47	-1.0	-48.99	391.84	8.81	-40.19
CCCC(NC(=O)CC1=CC=C([Si](C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000004199	1	47	-1.0	-49.00	391.79	8.80	-40.20
CCCC(NC(=O)CC1=CC=C([Si](C)(C)C)C=C1)C1=NNN=N1	REAL000000004199	1	48	0.0	-9.86	387.99	8.48	-1.38
CCCC(NC(=O)[C@H]1CC[C@H](C(=O)OC)CC1)C1=NN=N[N-]1	REAL000000004200	0	44	-1.0	-46.30	354.78	4.53	-41.77
CCCC(NC(=O)[C@H]1CC[C@H](C(=O)OC)CC1)C1=N[N-]N=N1	REAL000000004200	1	44	-1.0	-46.30	354.73	4.53	-41.76
CCCC(NC(=O)[C@H]1CC[C@H](C(=O)OC)CC1)C1=NNN=N1	REAL000000004200	1	45	0.0	-9.88	350.99	4.21	-5.67
CCCC(NC(=O)C1=CC=C(Br)C2=C1OCCC2)C1=NN=N[N-]1	REAL000000004201	0	40	-1.0	-49.10	343.94	6.06	-43.04
CCCC(NC(=O)C1=CC=C(Br)C2=C1OCCC2)C1=N[N-]N=N1	REAL000000004201	1	40	-1.0	-49.11	343.88	6.06	-43.05
CCCC(NC(=O)C1=CC=C(Br)C2=C1OCCC2)C1=NNN=N1	REAL000000004201	1	41	0.0	-12.56	347.30	6.07	-6.49
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL000000004202	0	36	-1.0	-42.75	336.34	5.46	-37.29
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL000000004202	1	36	-1.0	-42.75	336.28	5.46	-37.29
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)S1)C1=NNN=N1	REAL000000004202	1	37	0.0	-9.29	339.71	5.47	-3.82
CCCC(NC(=O)C1=C(C)N(CC2=NOC(C)=N2)N=N1)C1=NN=N[N-]1	REAL000000004203	0	42	-1.0	-49.34	364.37	-0.13	-49.47
CCCC(NC(=O)C1=C(C)N(CC2=NOC(C)=N2)N=N1)C1=N[N-]N=N1	REAL000000004203	1	42	-1.0	-49.34	364.32	-0.14	-49.47
CCCC(NC(=O)C1=C(C)N(CC2=NOC(C)=N2)N=N1)C1=NNN=N1	REAL000000004203	1	43	0.0	-14.85	367.75	-0.12	-14.96
CCCC(NC(=O)C1=CN(CC2=NOC(C)=N2)N=N1)C1=NN=N[N-]1	REAL000000004204	0	39	-1.0	-51.29	348.47	-0.68	-51.97
CCCC(NC(=O)C1=CN(CC2=NOC(C)=N2)N=N1)C1=N[N-]N=N1	REAL000000004204	1	39	-1.0	-51.28	348.42	-0.68	-51.96
CCCC(NC(=O)C1=CN(CC2=NOC(C)=N2)N=N1)C1=NNN=N1	REAL000000004204	1	40	0.0	-16.32	351.85	-0.67	-16.98
CCCC(NC(=O)C1=C(Br)C(CC)=NN1)C1=NN=N[N-]1	REAL000000004205	0	35	-1.0	-43.04	318.27	2.07	-40.98
CCCC(NC(=O)C1=C(Br)C(CC)=NN1)C1=N[N-]N=N1	REAL000000004205	1	35	-1.0	-43.04	318.21	2.07	-40.97
CCCC(NC(=O)C1=C(Br)C(CC)=NN1)C1=NNN=N1	REAL000000004205	1	36	0.0	-10.70	321.64	2.08	-8.62
CCCC(NC(=O)CC1=CC=CN=C1Br)C1=NN=N[N-]1	REAL000000004207	0	34	-1.0	-51.93	311.74	2.92	-49.01
CCCC(NC(=O)CC1=CC=CN=C1Br)C1=N[N-]N=N1	REAL000000004207	1	34	-1.0	-51.92	311.68	2.91	-49.01
CCCC(NC(=O)CC1=CC=CN=C1Br)C1=NNN=N1	REAL000000004207	1	35	0.0	-15.28	315.12	2.93	-12.35
CCCC(NC(=O)C(C)N1C=CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL000000004208	0	44	-1.0	-54.15	364.09	5.46	-48.70
CCCC(NC(=O)C(C)N1C=CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL000000004208	1	44	-1.0	-54.14	364.03	5.45	-48.70
CCCC(NC(=O)C(C)N1C=CC2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000004208	1	45	0.0	-17.31	367.47	5.47	-11.85
CCCC(NC(=O)C1=CN(C)C2=C(C=NN2C)C1=O)C1=NN=N[N-]1	REAL000000004209	0	41	-1.0	-57.80	340.68	3.64	-54.15
CCCC(NC(=O)C1=C(Cl)C(C)=C(S(N)(=O)=O)S1)C1=NN=N[N-]1	REAL000000004210	0	37	-1.0	-49.10	352.23	-1.22	-50.32
CCCC(NC(=O)C1=C(Cl)C(C)=C(S(N)(=O)=O)S1)C1=N[N-]N=N1	REAL000000004210	1	37	-1.0	-49.10	352.17	-1.23	-50.33
CCCC(NC(=O)C1=C(Cl)C(C)=C(S(N)(=O)=O)S1)C1=NNN=N1	REAL000000004210	1	38	0.0	-16.90	355.61	-1.22	-18.11
CCCC(NC(=O)C1=CC(Cl)=CC(Br)=C1F)C1=NN=N[N-]1	REAL000000004211	0	32	-1.0	-45.30	316.22	4.84	-40.46
CCCC(NC(=O)C1=CC(Cl)=CC(Br)=C1F)C1=N[N-]N=N1	REAL000000004211	1	32	-1.0	-45.30	316.16	4.84	-40.46
CCCC(NC(=O)C1=CC(Cl)=CC(Br)=C1F)C1=NNN=N1	REAL000000004211	1	33	0.0	-11.35	319.59	4.85	-6.50
CCCC(NC(=O)C1=CC=C(Br)C(Cl)=C1F)C1=NN=N[N-]1	REAL000000004212	0	32	-1.0	-47.63	314.43	4.78	-42.84
CCCC(NC(=O)C1=CC=C(Br)C(Cl)=C1F)C1=N[N-]N=N1	REAL000000004212	1	32	-1.0	-47.63	314.37	4.78	-42.84
CCCC(NC(=O)C1=CC=C(Br)C(Cl)=C1F)C1=NNN=N1	REAL000000004212	1	33	0.0	-14.29	317.81	4.79	-9.50
CCCC(NC(=O)C1=CN(C)C2=CC=C(F)C=C12)C1=NN=N[N-]1	REAL000000004213	0	39	-1.0	-57.41	335.41	5.41	-52.00
CCCC(NC(=O)C1=CN(C)C2=CC=C(F)C=C12)C1=N[N-]N=N1	REAL000000004213	1	39	-1.0	-57.41	335.35	5.40	-52.02
CCCC(NC(=O)C1=CN(C)C2=CC=C(F)C=C12)C1=NNN=N1	REAL000000004213	1	40	0.0	-14.70	331.62	5.08	-9.62
CCCC(NC(=O)C1=CN(CCCC#N)C2=CC=CC=C12)C1=NN=N[N-]1	REAL000000004214	0	46	-1.0	-63.53	393.33	7.53	-55.99
CCCC(NC(=O)C1=CN(CCCC#N)C2=CC=CC=C12)C1=N[N-]N=N1	REAL000000004214	1	46	-1.0	-63.53	393.27	7.52	-56.01
CCCC(NC(=O)C1=CN(CCCC#N)C2=CC=CC=C12)C1=NNN=N1	REAL000000004214	1	47	0.0	-26.67	396.75	7.54	-19.14
CCCC(NC(=O)CC1=CSC(CC2=CC=CC(Cl)=C2)=N1)C1=NN=N[N-]1	REAL000000004215	0	44	-1.0	-51.93	402.54	6.48	-45.45
CCCC(NC(=O)CC1=CSC(CC2=CC=CC(Cl)=C2)=N1)C1=N[N-]N=N1	REAL000000004215	1	44	-1.0	-51.91	402.49	6.47	-45.45
CCCC(NC(=O)CC1=CSC(CC2=CC=CC(Cl)=C2)=N1)C1=NNN=N1	REAL000000004215	1	45	0.0	-14.34	405.92	6.49	-7.85
CCCC(NC(=O)C1CC(C2=C(F)C=CC=C2F)=NO1)C1=NN=N[N-]1	REAL000000004216	0	40	-1.0	-56.06	356.37	5.01	-51.05
CCCC(NC(=O)C1CC(C2=C(F)C=CC=C2F)=NO1)C1=N[N-]N=N1	REAL000000004216	1	40	-1.0	-56.06	356.32	5.02	-51.04
CCCC(NC(=O)C1CC(C2=C(F)C=CC=C2F)=NO1)C1=NNN=N1	REAL000000004216	1	41	0.0	-15.80	352.56	4.60	-11.20
CCCC(NC(=O)C1=NC(C2=CC=CC=C2)=CS1)C1=NN=N[N-]1	REAL000000004217	0	38	-1.0	-51.96	339.89	4.35	-47.61
CCCC(NC(=O)C1=NC(C2=CC=CC=C2)=CS1)C1=N[N-]N=N1	REAL000000004217	1	38	-1.0	-51.96	339.83	4.35	-47.61
CCCC(NC(=O)C1=NC(C2=CC=CC=C2)=CS1)C1=NNN=N1	REAL000000004217	1	39	0.0	-12.29	336.08	4.04	-8.25
CCCC(NC(=O)C1=CC=NC(OC2=CC=C(F)C=C2F)=C1)C1=NN=N[N-]1	REAL000000004218	0	42	-1.0	-48.94	374.55	4.07	-44.87
CCCC(NC(=O)C1=CC=NC(OC2=CC=C(F)C=C2F)=C1)C1=N[N-]N=N1	REAL000000004218	1	42	-1.0	-48.94	374.49	4.06	-44.87
CCCC(NC(=O)C1=CC=NC(OC2=CC=C(F)C=C2F)=C1)C1=NNN=N1	REAL000000004218	1	43	0.0	-11.38	370.73	3.75	-7.63
CCCC(NC(=O)C1CCC2=C(C1)N(C)N=C2)C1=NN=N[N-]1	REAL000000004219	0	42	-1.0	-46.34	340.08	3.71	-42.63
CCCC(NC(=O)C1CCC2=C(C1)N(C)N=C2)C1=N[N-]N=N1	REAL000000004219	1	42	-1.0	-46.33	340.02	3.71	-42.62
CCCC(NC(=O)C1CCC2=C(C1)N(C)N=C2)C1=NNN=N1	REAL000000004219	1	43	0.0	-10.30	336.26	3.39	-6.90
CCCC(NC(=O)CC1=CC=C(S(C)=O)C=C1)C1=NN=N[N-]1	REAL000000004220	0	40	-1.0	-61.04	351.19	2.92	-58.12
CCCC(NC(=O)CC1=CC=C(S(C)=O)C=C1)C1=N[N-]N=N1	REAL000000004220	1	40	-1.0	-61.03	351.14	2.91	-58.12
CCCC(NC(=O)CC1=CC=C(S(C)=O)C=C1)C1=NNN=N1	REAL000000004220	1	41	0.0	-19.94	347.38	2.60	-17.35
CCCC(NC(=O)[C@H]1C[C@@H]1C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL000000004221	0	39	-1.0	-45.12	333.31	5.74	-39.38
CCCC(NC(=O)[C@H]1C[C@@H]1C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL000000004221	1	39	-1.0	-45.11	333.25	5.73	-39.38
CCCC(NC(=O)[C@H]1C[C@@H]1C1=CC=CC(F)=C1)C1=NNN=N1	REAL000000004221	1	40	0.0	-10.17	336.69	5.75	-4.42
CCCC(NC(=O)CCCOC1=CC=C2CCC(=O)NC2=C1)C1=NN=N[N-]1	REAL000000004222	0	50	-1.0	-53.77	410.17	3.91	-49.86
CCCC(NC(=O)CCCOC1=CC=C2CCC(=O)NC2=C1)C1=N[N-]N=N1	REAL000000004222	1	50	-1.0	-53.77	410.12	3.91	-49.85
CCCC(NC(=O)CCCOC1=CC=C2CCC(=O)NC2=C1)C1=NNN=N1	REAL000000004222	1	51	0.0	-19.17	413.55	3.92	-15.25
CCCC(NC(=O)C1=C(C)N(CC2=CC=C(F)C=C2)N=N1)C1=NN=N[N-]1	REAL000000004223	0	44	-1.0	-48.42	375.68	4.27	-44.15
CCCC(NC(=O)C1=C(C)N(CC2=CC=C(F)C=C2)N=N1)C1=N[N-]N=N1	REAL000000004223	1	44	-1.0	-48.42	375.62	4.26	-44.16
CCCC(NC(=O)C1=C(C)N(CC2=CC=C(F)C=C2)N=N1)C1=NNN=N1	REAL000000004223	1	45	0.0	-13.61	379.05	4.28	-9.33
CCCC(NC(=O)CN1C2=CC=CC=C2C2=C1CC[N@H+](C(C)C)C2)C1=NN=N[N-]1	REAL000000004224	0	58	0.0	-69.98	447.68	9.15	-60.83
CCCC(NC(=O)CN1C2=CC=CC=C2C2=C1CC[N@@H+](C(C)C)C2)C1=NN=N[N-]1	REAL000000004224	1	58	0.0	-70.73	448.31	9.16	-61.57
CCCC(NC(=O)CN1C2=CC=CC=C2C2=C1CC[N@H+](C(C)C)C2)C1=N[N-]N=N1	REAL000000004224	1	58	0.0	-69.97	447.63	9.15	-60.81
CCCC(NC(=O)CN1C2=CC=CC=C2C2=C1CC[N@@H+](C(C)C)C2)C1=N[N-]N=N1	REAL000000004224	1	58	0.0	-70.73	448.26	9.17	-61.57
CCCC(NC(=O)C1=CC=C(N2C(=O)CCC2=O)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000004225	0	44	-1.0	-58.72	384.50	5.38	-53.33
CCCC(NC(=O)C1=CC=C(N2C(=O)CCC2=O)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000004225	1	44	-1.0	-58.71	384.44	5.38	-53.33
CCCC(NC(=O)C1=CC=C(N2C(=O)CCC2=O)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000004225	1	45	0.0	-25.30	387.88	5.40	-19.90
CCCC(NC(=O)C1=CC=CC(CN2C=CN=C2)=C1)C1=NN=N[N-]1	REAL000000004226	0	42	-1.0	-51.64	357.63	6.90	-44.74
CCCC(NC(=O)C1=CC=CC(CN2C=CN=C2)=C1)C1=N[N-]N=N1	REAL000000004226	1	42	-1.0	-51.65	357.58	6.90	-44.75
CCCC(NC(=O)C1=CC=C2OC(C)=NC2=C1)C1=NN=N[N-]1	REAL000000004227	0	37	-1.0	-50.99	317.93	1.31	-49.68
CCCC(NC(=O)C1=CC=C2OC(C)=NC2=C1)C1=N[N-]N=N1	REAL000000004227	1	37	-1.0	-50.99	317.87	1.31	-49.68
CCCC(NC(=O)C1=CC=C2OC(C)=NC2=C1)C1=NNN=N1	REAL000000004227	1	38	0.0	-16.37	321.30	1.32	-15.04
CCCC(NC(=O)C1=C2N=C(C)OC2=CC=C1)C1=NN=N[N-]1	REAL000000004228	0	37	-1.0	-57.97	317.54	1.53	-56.44
CCCC(NC(=O)C1=C2N=C(C)OC2=CC=C1)C1=N[N-]N=N1	REAL000000004228	1	37	-1.0	-57.97	317.48	1.53	-56.44
CCCC(NC(=O)C1=C2N=C(C)OC2=CC=C1)C1=NNN=N1	REAL000000004228	1	38	0.0	-19.99	320.91	1.54	-18.44
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(F)C=C1N)C1=NN=N[N-]1	REAL000000004229	0	36	-1.0	-42.16	316.78	2.57	-39.60
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(F)C=C1N)C1=N[N-]N=N1	REAL000000004229	1	36	-1.0	-42.16	316.72	2.57	-39.59
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(F)C=C1N)C1=NNN=N1	REAL000000004229	1	37	0.0	-12.00	320.77	2.57	-9.43
CCCC(NC(=O)C(C)C(C)S(C)(=O)=O)C1=NN=N[N-]1	REAL000000004230	0	40	-1.0	-48.86	325.17	0.12	-48.74
CCCC(NC(=O)C(C)C(C)S(C)(=O)=O)C1=N[N-]N=N1	REAL000000004230	1	40	-1.0	-48.85	325.11	0.11	-48.74
CCCC(NC(=O)C(C)C(C)S(C)(=O)=O)C1=NNN=N1	REAL000000004230	1	41	0.0	-14.71	328.54	0.13	-14.58
CCCC(NC(=O)C1=CC=C2NC(OCC)=NC2=C1)C1=NN=N[N-]1	REAL000000004231	0	42	-1.0	-51.37	354.63	1.07	-50.31
CCCC(NC(=O)C1=CC=C2NC(OCC)=NC2=C1)C1=N[N-]N=N1	REAL000000004231	1	42	-1.0	-51.37	354.57	1.07	-50.31
CCCC(NC(=O)C1=CC=C2NC(OCC)=NC2=C1)C1=NNN=N1	REAL000000004231	1	43	0.0	-12.11	350.81	0.74	-11.36
CCCC(NC(=O)C1=C(Br)OC=C1)C1=NN=N[N-]1	REAL000000004232	0	29	-1.0	-46.18	276.76	2.32	-43.86
CCCC(NC(=O)C1=C(Br)OC=C1)C1=N[N-]N=N1	REAL000000004232	1	29	-1.0	-46.18	276.71	2.32	-43.86
CCCC(NC(=O)C1=C(Br)OC=C1)C1=NNN=N1	REAL000000004232	1	30	0.0	-8.71	272.95	2.00	-6.71
CCCC(NC(=O)C1=CC=NC(C2=CC=CC=C2)=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000004233	0	43	-1.0	-57.37	371.79	6.96	-50.41
CCCC(NC(=O)C1=CC=NC(C2=CC=CC=C2)=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000004233	1	43	-1.0	-57.36	371.73	6.96	-50.40
CCCC(NC(=O)C1=CC=NC(C2=CC=CC=C2)=C1[N+](=O)[O-])C1=NNN=N1	REAL000000004233	1	44	0.0	-22.32	375.17	6.97	-15.35
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000004234	0	43	-1.0	-44.31	372.88	5.45	-38.86
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000004234	1	43	-1.0	-44.30	372.82	5.45	-38.85
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1)C1=NNN=N1	REAL000000004234	1	44	0.0	-10.75	376.26	5.46	-5.29
CCCC(NC(=O)C1=CC(C2=CC=CC(C#N)=C2)=NO1)C1=NN=N[N-]1	REAL000000004235	0	39	-1.0	-45.11	353.92	5.02	-40.09
CCCC(NC(=O)C1=CC(C2=CC=CC(C#N)=C2)=NO1)C1=N[N-]N=N1	REAL000000004235	1	39	-1.0	-45.11	353.86	5.02	-40.09
CCCC(NC(=O)C1=CC(C2=CC=CC(C#N)=C2)=NO1)C1=NNN=N1	REAL000000004235	1	40	0.0	-13.62	357.30	5.03	-8.58
CCCC(NC(=O)CC1=CC=CC(N2CCCC2=O)=C1)C1=NN=N[N-]1	REAL000000004236	0	46	-1.0	-54.03	376.30	5.44	-48.59
CCCC(NC(=O)CC1=CC=CC(N2CCCC2=O)=C1)C1=N[N-]N=N1	REAL000000004236	1	46	-1.0	-54.03	376.25	5.44	-48.59
CCCC(NC(=O)CC1=CC=CC(N2CCCC2=O)=C1)C1=NNN=N1	REAL000000004236	1	47	0.0	-18.47	379.68	5.46	-13.01
CCCC(NC(=O)C1=CC=C(C)C(Cl)=C1F)C1=NN=N[N-]1	REAL000000004237	0	35	-1.0	-51.16	313.77	4.82	-46.34
CCCC(NC(=O)C1=CC=C(C)C(Cl)=C1F)C1=N[N-]N=N1	REAL000000004237	1	35	-1.0	-51.16	313.71	4.82	-46.34
CCCC(NC(=O)C1=CC=C(C)C(Cl)=C1F)C1=NNN=N1	REAL000000004237	1	36	0.0	-15.61	317.14	4.83	-10.78
CCCC(NC(=O)CN1C=C(C2=CC=CC=C2)C(C)=N1)C1=NN=N[N-]1	REAL000000004238	0	45	-1.0	-55.51	378.55	5.88	-49.64
CCCC(NC(=O)CN1C=C(C2=CC=CC=C2)C(C)=N1)C1=N[N-]N=N1	REAL000000004238	1	45	-1.0	-55.52	378.50	5.86	-49.65
CCCC(NC(=O)CN1C=C(C2=CC=CC=C2)C(C)=N1)C1=NNN=N1	REAL000000004238	1	46	0.0	-17.17	381.94	5.88	-11.29
CCCC(NC(=O)C(C)OC1=C2C=CC=CC2=CC=C1)C1=NN=N[N-]1	REAL000000004239	0	45	-1.0	-52.25	369.58	7.12	-45.13
CCCC(NC(=O)C(C)OC1=C2C=CC=CC2=CC=C1)C1=N[N-]N=N1	REAL000000004239	1	45	-1.0	-52.25	369.53	7.11	-45.14
CCCC(NC(=O)C(C)OC1=C2C=CC=CC2=CC=C1)C1=NNN=N1	REAL000000004239	1	46	0.0	-15.64	372.94	7.12	-8.52
CCCC(NC(=O)C1=CN=C(C2=CC=C(OC)C(OC)=C2)S1)C1=NN=N[N-]1	REAL000000004240	0	46	-1.0	-48.15	399.77	3.80	-44.35
CCCC(NC(=O)C1=CN=C(C2=CC=C(OC)C(OC)=C2)S1)C1=N[N-]N=N1	REAL000000004240	1	46	-1.0	-48.15	399.71	3.79	-44.36
CCCC(NC(=O)C1=CN=C(C2=CC=C(OC)C(OC)=C2)S1)C1=NNN=N1	REAL000000004240	1	47	0.0	-11.79	395.96	3.48	-8.31
CCCC(NC(=O)C1CCN(C(=O)OCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000004241	0	50	-1.0	-49.48	415.87	5.65	-43.84
CCCC(NC(=O)C1CCN(C(=O)OCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000004241	1	50	-1.0	-49.49	415.81	5.64	-43.85
CCCC(NC(=O)C1CCN(C(=O)OCC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000004241	1	51	0.0	-15.96	418.97	5.65	-10.31
CCCC(NC(=O)C1=CC=C(N2N=CC3=CC=CC=C32)C=C1Cl)C1=NN=N[N-]1	REAL000000004242	0	45	-1.0	-51.68	390.56	7.44	-44.24
CCCC(NC(=O)C1=CC=C(N2N=CC3=CC=CC=C32)C=C1Cl)C1=N[N-]N=N1	REAL000000004242	1	45	-1.0	-51.68	390.50	7.43	-44.25
CCCC(NC(=O)C1=CC=C(N2N=CC3=CC=CC=C32)C=C1Cl)C1=NNN=N1	REAL000000004242	1	46	0.0	-13.00	386.76	7.12	-5.88
CCCC(NC(=O)C1=C(F)C=C2N=CC=NC2=C1)C1=NN=N[N-]1	REAL000000004243	0	36	-1.0	-51.32	314.89	2.17	-49.16
CCCC(NC(=O)C1=C(F)C=C2N=CC=NC2=C1)C1=N[N-]N=N1	REAL000000004243	1	36	-1.0	-51.31	314.84	2.17	-49.15
CCCC(NC(=O)C1=C(F)C=C2N=CC=NC2=C1)C1=NNN=N1	REAL000000004243	1	37	0.0	-15.55	318.27	2.18	-13.37
CCCC(NC(=O)C1=C(C)N(CC2CCCC2)N=N1)C1=NN=N[N-]1	REAL000000004244	0	47	-1.0	-45.95	379.14	4.03	-41.92
CCCC(NC(=O)C1=C(C)N(CC2CCCC2)N=N1)C1=N[N-]N=N1	REAL000000004244	1	47	-1.0	-45.95	379.08	4.03	-41.92
CCCC(NC(=O)C1=C(C)N(CC2CCCC2)N=N1)C1=NNN=N1	REAL000000004244	1	48	0.0	-10.96	382.52	4.04	-6.92
CCCC(NC(=O)C1=CC=C(OC2CCOC2)C=C1)C1=NN=N[N-]1	REAL000000004245	0	44	-1.0	-47.93	359.57	3.32	-44.61
CCCC(NC(=O)C1=CC=C(OC2CCOC2)C=C1)C1=N[N-]N=N1	REAL000000004245	1	44	-1.0	-47.93	359.52	3.32	-44.61
CCCC(NC(=O)C1=CC=C(OC2CCOC2)C=C1)C1=NNN=N1	REAL000000004245	1	45	0.0	-9.54	355.75	3.00	-6.54
CCCC(NC(=O)C1CCC(NC(=O)C(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000004246	0	54	-1.0	-45.91	414.37	4.73	-41.18
CCCC(NC(=O)C1CCC(NC(=O)C(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000004246	1	54	-1.0	-45.91	414.33	4.72	-41.18
CCCC(NC(=O)C1CCC(NC(=O)C(C)(C)C)CC1)C1=NNN=N1	REAL000000004246	1	55	0.0	-17.18	422.18	4.32	-12.86
CCCC(NC(=O)CCC(O)C1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000004247	0	54	-1.0	-46.53	425.19	5.13	-41.40
CCCC(NC(=O)CCC(O)C1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000004247	1	54	-1.0	-46.53	425.13	5.13	-41.39
CCCC(NC(=O)CCC(O)C1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000004247	1	55	0.0	-8.79	421.40	4.82	-3.98
CCCC(NC(=O)C1=CC=C(N2C=CN=C2)C=N1)C1=NN=N[N-]1	REAL000000004248	0	38	-1.0	-47.39	327.63	4.31	-43.08
CCCC(NC(=O)C1=CC=C(N2C=CN=C2)C=N1)C1=N[N-]N=N1	REAL000000004248	1	38	-1.0	-47.39	327.58	4.31	-43.08
CCCC(NC(=O)C1=CC=C(N2C=CN=C2)C=N1)C1=NNN=N1	REAL000000004248	1	39	0.0	-13.12	331.01	4.32	-8.81
CCCC(NC(=O)CC1=C(C)C=CC=C1Cl)C1=NN=N[N-]1	REAL000000004249	0	38	-1.0	-48.25	330.04	5.28	-42.97
CCCC(NC(=O)CC1=C(C)C=CC=C1Cl)C1=N[N-]N=N1	REAL000000004249	1	38	-1.0	-48.24	329.98	5.27	-42.97
CCCC(NC(=O)CC1=C(C)C=CC=C1Cl)C1=NNN=N1	REAL000000004249	1	39	0.0	-8.53	326.23	4.95	-3.58
CCCC(NC(=O)C1CCC(=O)C2=CC=CN21)C1=NN=N[N-]1	REAL000000004250	0	39	-1.0	-45.90	321.86	4.17	-41.73
CCCC(NC(=O)C1CCC(=O)C2=CC=CN21)C1=N[N-]N=N1	REAL000000004250	1	39	-1.0	-45.89	321.80	4.16	-41.73
CCCC(NC(=O)C1CCC(=O)C2=CC=CN21)C1=NNN=N1	REAL000000004250	1	40	0.0	-14.31	325.23	4.18	-10.14
CCCC(NC(=O)C1=CC=CC2=C1OCC2(C)C)C1=NN=N[N-]1	REAL000000004251	0	43	-1.0	-53.91	350.20	5.55	-48.37
CCCC(NC(=O)C1=CC=CC2=C1OCC2(C)C)C1=N[N-]N=N1	REAL000000004251	1	43	-1.0	-53.92	350.15	5.55	-48.37
CCCC(NC(=O)C1=CC=CC2=C1OCC2(C)C)C1=NNN=N1	REAL000000004251	1	44	0.0	-15.35	353.58	5.55	-9.80
CCCC(NC(=O)CC1=CC=CC(Cl)=C1Cl)C1=NN=N[N-]1	REAL000000004252	0	35	-1.0	-44.22	328.40	5.21	-39.00
CCCC(NC(=O)CC1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL000000004252	1	35	-1.0	-44.22	328.34	5.21	-39.01
CCCC(NC(=O)CC1=CC=CC(Cl)=C1Cl)C1=NNN=N1	REAL000000004252	1	36	0.0	-11.50	331.77	5.22	-6.28
CCCC(NC(=O)CC1=CC=C(NC(=O)OC(C)(C)C)C=N1)C1=NN=N[N-]1	REAL000000004253	0	51	-1.0	-52.93	414.58	2.94	-49.99
CCCC(NC(=O)CC1=CC=C(NC(=O)OC(C)(C)C)C=N1)C1=N[N-]N=N1	REAL000000004253	1	51	-1.0	-52.92	414.52	2.93	-49.99
CCCC(NC(=O)CC1=CC=C(NC(=O)OC(C)(C)C)C=N1)C1=NNN=N1	REAL000000004253	1	52	0.0	-15.66	417.95	2.95	-12.71
CCCC(NC(=O)CC1=CSC2=CC=C(Br)C=C12)C1=NN=N[N-]1	REAL000000004254	0	38	-1.0	-45.78	356.68	6.28	-39.50
CCCC(NC(=O)CC1=CSC2=CC=C(Br)C=C12)C1=N[N-]N=N1	REAL000000004254	1	38	-1.0	-45.78	356.62	6.27	-39.51
CCCC(NC(=O)CC1=CSC2=CC=C(Br)C=C12)C1=NNN=N1	REAL000000004254	1	39	0.0	-11.94	359.96	6.28	-5.66
CCCC(NC(=O)C1=CC(C2CC2)=CN=C1Cl)C1=NN=N[N-]1	REAL000000004255	0	38	-1.0	-47.02	331.30	4.39	-42.63
CCCC(NC(=O)C1=CC(C2CC2)=CN=C1Cl)C1=N[N-]N=N1	REAL000000004255	1	38	-1.0	-47.02	331.24	4.39	-42.63
CCCC(NC(=O)C1=CC(C2CC2)=CN=C1Cl)C1=NNN=N1	REAL000000004255	1	39	0.0	-12.89	334.67	4.40	-8.49
CCCC(NC(=O)CC1=C(C)N=C(SC(F)F)S1)C1=NN=N[N-]1	REAL000000004256	0	38	-1.0	-49.99	358.06	3.85	-46.14
CCCC(NC(=O)CC1=C(C)N=C(SC(F)F)S1)C1=N[N-]N=N1	REAL000000004256	1	38	-1.0	-49.98	358.00	3.85	-46.13
CCCC(NC(=O)CC1=C(C)N=C(SC(F)F)S1)C1=NNN=N1	REAL000000004256	1	39	0.0	-16.08	361.45	3.86	-12.22
CCCC(NC(=O)C1=C(C)N(CC2=CC=C(F)C=C2F)N=N1)C1=NN=N[N-]1	REAL000000004257	0	44	-1.0	-47.84	376.39	4.19	-43.64
CCCC(NC(=O)C1=C(C)N(CC2=CC=C(F)C=C2F)N=N1)C1=N[N-]N=N1	REAL000000004257	1	44	-1.0	-47.84	376.34	4.20	-43.64
CCCC(NC(=O)C1=C(C)N(CC2=CC=C(F)C=C2F)N=N1)C1=NNN=N1	REAL000000004257	1	45	0.0	-12.13	379.78	4.20	-7.93
CCCC(NC(=O)CCC1=CC=CC=C1C(N)=O)C1=NN=N[N-]1	REAL000000004258	0	42	-1.0	-57.24	346.33	1.88	-55.35
CCCC(NC(=O)CCC1=CC=CC=C1C(N)=O)C1=N[N-]N=N1	REAL000000004258	1	42	-1.0	-57.23	346.27	1.88	-55.35
CCCC(NC(=O)CCC1=CC=CC=C1C(N)=O)C1=NNN=N1	REAL000000004258	1	43	0.0	-15.27	349.69	1.89	-13.39
CCCC(NC(=O)CN1C=CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL000000004259	0	41	-1.0	-61.89	349.50	5.20	-56.68
CCCC(NC(=O)CN1C=CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL000000004259	1	41	-1.0	-61.88	349.44	5.20	-56.68
CCCC(NC(=O)CN1C=CC2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000004259	1	42	0.0	-16.62	345.69	4.89	-11.73
CCCC(NC(=O)CC1=CC=C(I)C=C1)C1=NN=N[N-]1	REAL000000004260	0	35	-1.0	-45.16	326.76	5.40	-39.76
CCCC(NC(=O)CC1=CC=C(I)C=C1)C1=N[N-]N=N1	REAL000000004260	1	35	-1.0	-45.16	326.70	5.40	-39.75
CCCC(NC(=O)CC1=CC=C(I)C=C1)C1=NNN=N1	REAL000000004260	1	36	0.0	-11.46	330.13	5.41	-6.05
CCCC(NC(=O)CC1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL000000004261	0	39	-1.0	-53.43	333.52	1.10	-52.32
CCCC(NC(=O)CC1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL000000004261	1	39	-1.0	-53.42	333.46	1.10	-52.32
CCCC(NC(=O)CC1=CC=C(C(N)=O)C=C1)C1=NNN=N1	REAL000000004261	1	40	0.0	-17.68	336.90	1.11	-16.57
CCCC(NC(=O)CC1CC(C)C2=C(C)C=CC=C21)C1=NN=N[N-]1	REAL000000004262	0	48	-1.0	-50.57	371.78	7.16	-43.41
CCCC(NC(=O)CC1CC(C)C2=C(C)C=CC=C21)C1=N[N-]N=N1	REAL000000004262	1	48	-1.0	-50.56	371.72	7.15	-43.41
CCCC(NC(=O)CC1CC(C)C2=C(C)C=CC=C21)C1=NNN=N1	REAL000000004262	1	49	0.0	-11.65	375.16	7.17	-4.48
CCCC(NC(=O)C=CC1=CC=CC=C1N1C=CC=N1)C1=NN=N[N-]1	REAL000000004263	0	43	-1.0	-54.91	367.12	6.30	-48.61
CCCC(NC(=O)C=CC1=CC=CC=C1N1C=CC=N1)C1=N[N-]N=N1	REAL000000004263	1	43	-1.0	-54.91	367.07	6.29	-48.62
CCCC(NC(=O)C=CC1=CC=CC=C1N1C=CC=N1)C1=NNN=N1	REAL000000004263	1	44	0.0	-14.28	363.25	5.98	-8.31
CCCC(NC(=O)CCOCC(F)(F)C(F)F)C1=NN=N[N-]1	REAL000000004264	0	38	-1.0	-46.46	338.66	2.87	-43.59
CCCC(NC(=O)CCOCC(F)(F)C(F)F)C1=N[N-]N=N1	REAL000000004264	1	38	-1.0	-46.46	338.60	2.86	-43.60
CCCC(NC(=O)CCOCC(F)(F)C(F)F)C1=NNN=N1	REAL000000004264	1	39	0.0	-10.60	334.86	2.54	-8.06
CCCC(NC(=O)C(CNC(=O)OC(C)(C)C)CC(C)(C)C)C1=NN=N[N-]1	REAL000000004265	0	60	-1.0	-48.80	432.66	4.76	-44.04
CCCC(NC(=O)C(CNC(=O)OC(C)(C)C)CC(C)(C)C)C1=N[N-]N=N1	REAL000000004265	1	60	-1.0	-48.79	432.61	4.76	-44.04
CCCC(NC(=O)C(CNC(=O)OC(C)(C)C)CC(C)(C)C)C1=NNN=N1	REAL000000004265	1	61	0.0	-13.51	430.32	3.75	-9.77
CCCC(NC(=O)C1CCCC2=C(O)C=CC=C21)C1=NN=N[N-]1	REAL000000004266	0	43	-1.0	-46.97	344.14	3.29	-43.69
CCCC(NC(=O)C1CCCC2=C(O)C=CC=C21)C1=N[N-]N=N1	REAL000000004266	1	43	-1.0	-46.98	344.08	3.29	-43.69
CCCC(NC(=O)C1CCCC2=C(O)C=CC=C21)C1=NNN=N1	REAL000000004266	1	44	0.0	-11.21	348.22	3.37	-7.83
CCCC(NC(=O)C1CCC(OCCOC)CC1)C1=NN=N[N-]1	REAL000000004267	0	49	-1.0	-47.34	388.06	3.15	-44.19
CCCC(NC(=O)C1CCC(OCCOC)CC1)C1=N[N-]N=N1	REAL000000004267	1	49	-1.0	-47.34	388.02	3.14	-44.20
CCCC(NC(=O)C1CCC(OCCOC)CC1)C1=NNN=N1	REAL000000004267	1	50	0.0	-11.18	377.76	2.68	-8.50
CCCC(NC(=O)C1=CC2=C(OC)C=CC(F)=C2N1)C1=NN=N[N-]1	REAL000000004268	0	40	-1.0	-47.21	344.10	2.95	-44.27
CCCC(NC(=O)C1=CC2=C(OC)C=CC(F)=C2N1)C1=N[N-]N=N1	REAL000000004268	1	40	-1.0	-47.21	344.05	2.95	-44.26
CCCC(NC(=O)C1=CC2=C(OC)C=CC(F)=C2N1)C1=NNN=N1	REAL000000004268	1	41	0.0	-12.21	347.48	2.96	-9.25
CCCC(NC(=O)C1=C(C)N=C2C=CC(Br)=CN21)C1=NN=N[N-]1	REAL000000004269	0	38	-1.0	-46.77	347.56	5.08	-41.69
CCCC(NC(=O)C1=C(C)N=C2C=CC(Br)=CN21)C1=N[N-]N=N1	REAL000000004269	1	38	-1.0	-46.77	347.50	5.08	-41.69
CCCC(NC(=O)C1=C(C)N=C2C=CC(Br)=CN21)C1=NNN=N1	REAL000000004269	1	39	0.0	-11.87	350.94	5.09	-6.78
CCCC(NC(=O)CC1=NC(C(C)C)=C(C)S1)C1=NN=N[N-]1	REAL000000004270	0	43	-1.0	-47.69	366.35	4.08	-43.60
CCCC(NC(=O)CC1=NC(C(C)C)=C(C)S1)C1=N[N-]N=N1	REAL000000004270	1	43	-1.0	-47.69	366.29	4.07	-43.62
CCCC(NC(=O)CC1=NC(C(C)C)=C(C)S1)C1=NNN=N1	REAL000000004270	1	44	0.0	-13.87	369.72	4.09	-9.78
CCCC(NC(=O)C1=CNC2=NC=C(Br)C=C12)C1=NN=N[N-]1	REAL000000004271	0	35	-1.0	-51.04	323.06	3.49	-47.56
CCCC(NC(=O)C1=CNC2=NC=C(Br)C=C12)C1=N[N-]N=N1	REAL000000004271	1	35	-1.0	-51.04	323.00	3.48	-47.56
CCCC(NC(=O)C1=CNC2=NC=C(Br)C=C12)C1=NNN=N1	REAL000000004271	1	36	0.0	-16.51	326.43	3.49	-13.02
CCCC(NC(=O)C1N(C(=O)OC(C)(C)C)CC1(C)C)C1=NN=N[N-]1	REAL000000004272	0	52	-1.0	-60.39	408.70	4.86	-55.53
CCCC(NC(=O)C1N(C(=O)OC(C)(C)C)CC1(C)C)C1=N[N-]N=N1	REAL000000004272	1	52	-1.0	-60.38	408.64	4.85	-55.53
CCCC(NC(=O)C1N(C(=O)OC(C)(C)C)CC1(C)C)C1=NNN=N1	REAL000000004272	1	53	0.0	-14.47	404.85	4.43	-10.04
CCCC(NC(=O)C1=CC(I)=C(C)C=C1C)C1=NN=N[N-]1	REAL000000004273	0	38	-1.0	-43.73	335.74	5.97	-37.76
CCCC(NC(=O)C1=CC(I)=C(C)C=C1C)C1=N[N-]N=N1	REAL000000004273	1	38	-1.0	-43.73	335.68	5.96	-37.77
CCCC(NC(=O)C1=CC(I)=C(C)C=C1C)C1=NNN=N1	REAL000000004273	1	39	0.0	-8.35	339.12	5.98	-2.38
CCCC(NC(=O)C1=CC=C2N=C(C3=CC=CC=C3)OC2=C1)C1=NN=N[N-]1	REAL000000004274	0	44	-1.0	-49.04	376.97	4.43	-44.61
CCCC(NC(=O)C1=CC=C2N=C(C3=CC=CC=C3)OC2=C1)C1=N[N-]N=N1	REAL000000004274	1	44	-1.0	-49.03	376.91	4.43	-44.60
CCCC(NC(=O)C1=CC=C2N=C(C3=CC=CC=C3)OC2=C1)C1=NNN=N1	REAL000000004274	1	45	0.0	-11.63	373.14	4.11	-7.52
CCCC(NC(=O)CN1C(C)=NC2=CC(F)=C(F)C=C21)C1=NN=N[N-]1	REAL000000004275	0	41	-1.0	-48.29	358.88	5.28	-43.01
CCCC(NC(=O)CN1C(C)=NC2=CC(F)=C(F)C=C21)C1=N[N-]N=N1	REAL000000004275	1	41	-1.0	-48.28	358.82	5.28	-43.00
CCCC(NC(=O)CN1C(C)=NC2=CC(F)=C(F)C=C21)C1=NNN=N1	REAL000000004275	1	42	0.0	-15.58	355.02	4.97	-10.61
CCCC(NC(=O)C1=CC=C2N=C(C)N(C)C2=C1)C1=NN=N[N-]1	REAL000000004276	0	41	-1.0	-50.35	342.88	4.81	-45.54
CCCC(NC(=O)C1=CC=C2N=C(C)N(C)C2=C1)C1=N[N-]N=N1	REAL000000004276	1	41	-1.0	-50.35	342.83	4.81	-45.55
CCCC(NC(=O)C1=CC=C2N=C(C)N(C)C2=C1)C1=NNN=N1	REAL000000004276	1	42	0.0	-15.42	345.43	4.80	-10.62
CCCC(NC(=O)C1=CC=C(C(C)(C)C#N)C=C1)C1=NN=N[N-]1	REAL000000004277	0	42	-1.0	-50.09	350.89	5.61	-44.48
CCCC(NC(=O)C1=CC=C(C(C)(C)C#N)C=C1)C1=N[N-]N=N1	REAL000000004277	1	42	-1.0	-50.10	350.84	5.61	-44.49
CCCC(NC(=O)C1=CC=C(C(C)(C)C#N)C=C1)C1=NNN=N1	REAL000000004277	1	43	0.0	-16.08	354.27	5.62	-10.46
CCCC(NC(=O)CC(C)(C)C1CCCCC1)C1=NN=N[N-]1	REAL000000004278	0	50	-1.0	-43.91	361.58	5.99	-37.92
CCCC(NC(=O)CC(C)(C)C1CCCCC1)C1=N[N-]N=N1	REAL000000004278	1	50	-1.0	-43.90	361.52	5.99	-37.91
CCCC(NC(=O)CC(C)(C)C1CCCCC1)C1=NNN=N1	REAL000000004278	1	51	0.0	-8.26	364.93	6.00	-2.26
CCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=NN=N[N-]1	REAL000000004279	0	51	0.0	-73.35	393.96	7.37	-65.97
CCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=N[N-]N=N1	REAL000000004279	1	51	0.0	-73.35	393.90	7.38	-65.97
CCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=NNN=N1	REAL000000004279	1	52	1.0	-43.06	390.46	7.11	-35.95
CCCC(NC(=O)C1CC12CN(C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL000000004280	0	50	-1.0	-51.18	403.93	4.32	-46.86
CCCC(NC(=O)C1CC12CN(C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL000000004280	1	50	-1.0	-51.18	403.87	4.31	-46.87
CCCC(NC(=O)C1CC12CN(C(=O)OC(C)(C)C)C2)C1=NNN=N1	REAL000000004280	1	51	0.0	-12.90	398.32	3.96	-8.95
CCCC(NC(=O)C1=CC2=C(S1)N(C)N=C2C(F)F)C1=NN=N[N-]1	REAL000000004281	0	38	-1.0	-48.79	351.13	3.59	-45.19
CCCC(NC(=O)[C@H](C)OC1=CC=C2C=CC=CC2=C1)C1=NN=N[N-]1	REAL000000004282	0	45	-1.0	-51.71	371.31	7.04	-44.67
CCCC(NC(=O)[C@H](C)OC1=CC=C2C=CC=CC2=C1)C1=N[N-]N=N1	REAL000000004282	1	45	-1.0	-51.71	371.25	7.03	-44.68
CCCC(NC(=O)[C@H](C)OC1=CC=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000004282	1	46	0.0	-16.05	374.69	7.04	-9.01
CCCC(NC(=O)C1=C2C=CN(CC(C)C)C2=CC=C1)C1=NN=N[N-]1	REAL000000004283	0	48	-1.0	-53.59	381.19	7.31	-46.28
CCCC(NC(=O)C1=C2C=CN(CC(C)C)C2=CC=C1)C1=N[N-]N=N1	REAL000000004283	1	48	-1.0	-53.60	381.13	7.30	-46.30
CCCC(NC(=O)C1=C2C=CN(CC(C)C)C2=CC=C1)C1=NNN=N1	REAL000000004283	1	49	0.0	-10.65	377.39	6.98	-3.66
CCCC(NC(=O)C1=CC2=CC=CC=C2C(=O)O1)C1=NN=N[N-]1	REAL000000004284	0	37	-1.0	-46.28	324.67	4.99	-41.29
CCCC(NC(=O)C1=CC2=CC=CC=C2C(=O)O1)C1=N[N-]N=N1	REAL000000004284	1	37	-1.0	-46.28	324.61	4.98	-41.30
CCCC(NC(=O)C1=CC2=CC=CC=C2C(=O)O1)C1=NNN=N1	REAL000000004284	1	38	0.0	-10.89	320.86	4.66	-6.22
CCCC(NC(=O)C1=NN(C2CCCCC2)C=C1)C1=NN=N[N-]1	REAL000000004285	0	45	-1.0	-48.48	361.60	4.68	-43.80
CCCC(NC(=O)C1=NN(C2CCCCC2)C=C1)C1=N[N-]N=N1	REAL000000004285	1	45	-1.0	-48.48	361.54	4.68	-43.80
CCCC(NC(=O)C1=NN(C2CCCCC2)C=C1)C1=NNN=N1	REAL000000004285	1	46	0.0	-8.89	357.80	4.36	-4.53
CCCC(NC(=O)C1CC(C2=CC(OC)=CC=C2OC)=NO1)C1=NN=N[N-]1	REAL000000004286	0	48	-1.0	-56.96	399.20	3.86	-53.11
CCCC(NC(=O)C1CC(C2=CC(OC)=CC=C2OC)=NO1)C1=N[N-]N=N1	REAL000000004286	1	48	-1.0	-56.96	399.14	3.86	-53.11
CCCC(NC(=O)C1CC(C2=CC(OC)=CC=C2OC)=NO1)C1=NNN=N1	REAL000000004286	1	49	0.0	-21.10	402.57	3.86	-17.24
CCCC(NC(=O)C1CC(C2=CC=CC(OC)=C2)=NO1)C1=NN=N[N-]1	REAL000000004287	0	44	-1.0	-59.40	371.67	4.33	-55.07
CCCC(NC(=O)C1CC(C2=CC=CC(OC)=C2)=NO1)C1=N[N-]N=N1	REAL000000004287	1	44	-1.0	-59.39	371.61	4.33	-55.07
CCCC(NC(=O)C1CC(C2=CC=CC(OC)=C2)=NO1)C1=NNN=N1	REAL000000004287	1	45	0.0	-23.68	375.04	4.34	-19.34
CCCC(NC(=O)CCSCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000004288	0	42	-1.0	-44.60	365.07	6.49	-38.11
CCCC(NC(=O)CCSCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000004288	1	42	-1.0	-44.60	365.02	6.49	-38.10
CCCC(NC(=O)CCSCC1=CC=CC=C1)C1=NNN=N1	REAL000000004288	1	43	0.0	-7.77	361.28	6.17	-1.60
CCCC(NC(=O)CC1=C(C)N=C(SC(F)(F)F)S1)C1=NN=N[N-]1	REAL000000004289	0	38	-1.0	-46.20	364.64	4.05	-42.15
CCCC(NC(=O)CC1=C(C)N=C(SC(F)(F)F)S1)C1=N[N-]N=N1	REAL000000004289	1	38	-1.0	-46.21	364.59	4.05	-42.16
CCCC(NC(=O)CC1=C(C)N=C(SC(F)(F)F)S1)C1=NNN=N1	REAL000000004289	1	39	0.0	-11.11	360.85	3.73	-7.38
CCCC(NC(=O)CC1=CC(F)=C(Cl)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000004290	0	37	-1.0	-52.34	342.23	5.22	-47.12
CCCC(NC(=O)CC1=CC(F)=C(Cl)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000004290	1	37	-1.0	-52.34	342.17	5.21	-47.12
CCCC(NC(=O)CC1=CC(F)=C(Cl)C=C1[N+](=O)[O-])C1=NNN=N1	REAL000000004290	1	38	0.0	-14.94	345.60	5.23	-9.71
CCCC(NC(=O)CCC1=CC=CC=C1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000004291	0	55	-1.0	-47.05	437.98	5.67	-41.38
CCCC(NC(=O)CCC1=CC=CC=C1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000004291	1	55	-1.0	-47.05	437.93	5.66	-41.39
CCCC(NC(=O)CCC1=CC=CC=C1NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004291	1	56	0.0	-13.76	441.36	5.68	-8.08
CCCC(NC(=O)C1=CC(C=O)=C(C)C=C1C)C1=NN=N[N-]1	REAL000000004292	0	40	-1.0	-50.68	331.13	4.61	-46.06
CCCC(NC(=O)C1=CC(C=O)=C(C)C=C1C)C1=N[N-]N=N1	REAL000000004292	1	40	-1.0	-50.67	331.07	4.62	-46.06
CCCC(NC(=O)C1=CC(C=O)=C(C)C=C1C)C1=NNN=N1	REAL000000004292	1	41	0.0	-12.51	334.51	4.62	-7.89
CCCC(NC(=O)C1=C(Br)C(C)=CS1)C1=NN=N[N-]1	REAL000000004293	0	32	-1.0	-46.02	303.59	3.87	-42.15
CCCC(NC(=O)C1=C(Br)C(C)=CS1)C1=N[N-]N=N1	REAL000000004293	1	32	-1.0	-46.03	303.53	3.86	-42.16
CCCC(NC(=O)C1=C(Br)C(C)=CS1)C1=NNN=N1	REAL000000004293	1	33	0.0	-7.76	299.77	3.55	-4.20
CCCC(NC(=O)C1=NC(Br)=CC=C1F)C1=NN=N[N-]1	REAL000000004294	0	31	-1.0	-47.82	297.58	2.50	-45.32
CCCC(NC(=O)C1=NC(Br)=CC=C1F)C1=N[N-]N=N1	REAL000000004294	1	31	-1.0	-47.83	297.53	2.49	-45.33
CCCC(NC(=O)C1=NC(Br)=CC=C1F)C1=NNN=N1	REAL000000004294	1	32	0.0	-11.11	300.97	2.51	-8.60
CCCC(NC(=O)C1=NC=CC=C1Br)C1=NN=N[N-]1	REAL000000004295	0	31	-1.0	-48.01	287.86	2.55	-45.46
CCCC(NC(=O)C1=NC=CC=C1Br)C1=N[N-]N=N1	REAL000000004295	1	31	-1.0	-48.01	287.80	2.54	-45.47
CCCC(NC(=O)C1=NC=CC=C1Br)C1=NNN=N1	REAL000000004295	1	32	0.0	-8.95	284.06	2.23	-6.73
CCCC(NC(=O)C1=CC=C(C2=NOC(C(F)F)=N2)C=C1)C1=NN=N[N-]1	REAL000000004296	0	40	-1.0	-48.33	359.63	3.25	-45.08
CCCC(NC(=O)C1=CC=C(C2=NOC(C(F)F)=N2)C=C1)C1=N[N-]N=N1	REAL000000004296	1	40	-1.0	-48.33	359.57	3.25	-45.08
CCCC(NC(=O)C1=CC=C(C2=NOC(C(F)F)=N2)C=C1)C1=NNN=N1	REAL000000004296	1	41	0.0	-14.68	363.01	3.26	-11.41
CCCC(NC(=O)C1CC(C(=O)OC(C)(C)C)=NO1)C1=NN=N[N-]1	REAL000000004297	0	45	-1.0	-49.20	374.26	3.99	-45.21
CCCC(NC(=O)C1CC(C(=O)OC(C)(C)C)=NO1)C1=N[N-]N=N1	REAL000000004297	1	45	-1.0	-49.19	374.20	3.98	-45.21
CCCC(NC(=O)C1CC(C(=O)OC(C)(C)C)=NO1)C1=NNN=N1	REAL000000004297	1	46	0.0	-11.94	370.44	3.58	-8.36
CCCC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=CC=C1C)C1=NN=N[N-]1	REAL000000004298	0	52	-1.0	-47.26	412.44	4.58	-42.68
CCCC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=CC=C1C)C1=N[N-]N=N1	REAL000000004298	1	52	-1.0	-47.26	412.38	4.57	-42.69
CCCC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=CC=C1C)C1=NNN=N1	REAL000000004298	1	53	0.0	-11.74	415.81	4.59	-7.14
CCCC(NC(=O)CC1=CC=CC(C(F)F)=C1)C1=NN=N[N-]1	REAL000000004299	0	38	-1.0	-47.81	333.14	5.23	-42.58
CCCC(NC(=O)CC1=CC=CC(C(F)F)=C1)C1=N[N-]N=N1	REAL000000004299	1	38	-1.0	-47.80	333.08	5.23	-42.57
CCCC(NC(=O)CC1=CC=CC(C(F)F)=C1)C1=NNN=N1	REAL000000004299	1	39	0.0	-13.39	336.52	5.24	-8.14
CCCC(NC(=O)C1CC(C2=CC=CN=C2)=NO1)C1=NN=N[N-]1	REAL000000004300	0	39	-1.0	-55.02	337.27	3.23	-51.79
CCCC(NC(=O)C1CC(C2=CC=CN=C2)=NO1)C1=N[N-]N=N1	REAL000000004300	1	39	-1.0	-55.02	337.21	3.23	-51.79
CCCC(NC(=O)C1CC(C2=CC=CN=C2)=NO1)C1=NNN=N1	REAL000000004300	1	40	0.0	-19.94	340.65	3.24	-16.70
CCCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=NN=N[N-]1	REAL000000004301	0	48	0.0	-73.21	377.51	6.71	-66.50
CCCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=N[N-]N=N1	REAL000000004301	1	48	0.0	-73.21	377.45	6.71	-66.50
CCCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=NNN=N1	REAL000000004301	1	49	1.0	-46.40	380.89	6.72	-39.68
CCCC(NC(=O)C1=CC(Br)=NN1)C1=NN=N[N-]1	REAL000000004302	0	29	-1.0	-41.82	277.89	0.61	-41.21
CCCC(NC(=O)C1=CC(Br)=NN1)C1=N[N-]N=N1	REAL000000004302	1	29	-1.0	-41.81	277.83	0.60	-41.21
CCCC(NC(=O)C1=CC(Br)=NN1)C1=NNN=N1	REAL000000004302	1	30	0.0	-10.52	281.27	0.61	-9.91
CCCC(NC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000004303	0	57	-1.0	-47.59	440.49	1.60	-45.99
CCCC(NC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000004303	1	57	-1.0	-47.58	440.43	1.60	-45.98
CCCC(NC(=O)C1=CC(C)=C(Cl)C=C1C)C1=NN=N[N-]1	REAL000000004304	0	38	-1.0	-43.47	325.83	5.43	-38.03
CCCC(NC(=O)C1=CC(C)=C(Cl)C=C1C)C1=N[N-]N=N1	REAL000000004304	1	38	-1.0	-43.47	325.77	5.43	-38.03
CCCC(NC(=O)C1=CC(C)=C(Cl)C=C1C)C1=NNN=N1	REAL000000004304	1	39	0.0	-6.15	322.03	5.12	-1.04
CCCC(NC(=O)C1CCC(NC(=O)C2CC2)CC1)C1=NN=N[N-]1	REAL000000004305	0	49	-1.0	-49.57	390.89	3.84	-45.73
CCCC(NC(=O)C1CCC(NC(=O)C2CC2)CC1)C1=N[N-]N=N1	REAL000000004305	1	49	-1.0	-49.56	390.84	3.84	-45.73
CCCC(NC(=O)C1CCC(NC(=O)C2CC2)CC1)C1=NNN=N1	REAL000000004305	1	50	0.0	-18.72	394.27	3.84	-14.87
CCCC(NC(=O)CCN(C)C(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000004306	0	49	-1.0	-52.42	412.28	5.64	-46.78
CCCC(NC(=O)CCN(C)C(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000004306	1	49	-1.0	-52.41	412.22	5.63	-46.78
CCCC(NC(=O)CCN(C)C(=O)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000004306	1	50	0.0	-12.23	408.49	5.31	-6.93
CCCC(NC(=O)CC(CC#N)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000004307	0	42	-1.0	-47.83	353.40	5.87	-41.96
CCCC(NC(=O)CC(CC#N)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000004307	1	42	-1.0	-47.82	353.34	5.87	-41.95
CCCC(NC(=O)CC(CC#N)C1=CC=CC=C1)C1=NNN=N1	REAL000000004307	1	43	0.0	-14.23	356.78	5.88	-8.35
CCCC(NC(=O)C1COC2=CC=C(Cl)C=C21)C1=NN=N[N-]1	REAL000000004308	0	37	-1.0	-48.26	329.49	3.84	-44.42
CCCC(NC(=O)C1COC2=CC=C(Cl)C=C21)C1=N[N-]N=N1	REAL000000004308	1	37	-1.0	-48.26	329.43	3.84	-44.41
CCCC(NC(=O)C1COC2=CC=C(Cl)C=C21)C1=NNN=N1	REAL000000004308	1	38	0.0	-10.15	325.67	3.53	-6.62
CCCC(NC(=O)CCC(=O)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL000000004309	0	40	-1.0	-48.02	345.61	2.83	-45.20
CCCC(NC(=O)CCC(=O)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL000000004309	1	40	-1.0	-48.01	345.55	2.82	-45.20
CCCC(NC(=O)CCC(=O)C1=CN(C)N=C1)C1=NNN=N1	REAL000000004309	1	41	0.0	-13.84	348.99	2.83	-11.00
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)N(C)C)C=C1)C1=NN=N[N-]1	REAL000000004310	0	46	-1.0	-53.40	395.30	2.28	-51.13
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)N(C)C)C=C1)C1=N[N-]N=N1	REAL000000004310	1	46	-1.0	-53.40	395.24	2.28	-51.12
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)N(C)C)C=C1)C1=NNN=N1	REAL000000004310	1	47	0.0	-16.25	391.49	1.96	-14.29
CCCC(NC(=O)C1CCN(CC(F)(F)F)C1)C1=NN=N[N-]1	REAL000000004311	0	40	-1.0	-44.86	332.13	1.34	-43.52
CCCC(NC(=O)C1CCN(CC(F)(F)F)C1)C1=N[N-]N=N1	REAL000000004311	1	40	-1.0	-44.86	332.07	1.34	-43.52
CCCC(NC(=O)C1CCN(CC(F)(F)F)C1)C1=NNN=N1	REAL000000004311	1	41	0.0	-8.90	328.33	1.03	-7.87
CCCC(NC(=O)C1=CC=C(C[NH+](CC)CC)C=C1)C1=NN=N[N-]1	REAL000000004312	0	50	0.0	-70.84	388.89	6.91	-63.93
CCCC(NC(=O)C1=CC=C(C[NH+](CC)CC)C=C1)C1=N[N-]N=N1	REAL000000004312	1	50	0.0	-70.85	388.83	6.90	-63.94
CCCC(NC(=O)C1=CC=C(C[NH+](CC)CC)C=C1)C1=NNN=N1	REAL000000004312	1	51	1.0	-45.77	392.26	6.92	-38.86
CCCC(NC(=O)C1CC2=CC(Br)=CC=C2O1)C1=NN=N[N-]1	REAL000000004313	0	37	-1.0	-47.19	334.91	5.14	-42.06
CCCC(NC(=O)C1CC2=CC(Br)=CC=C2O1)C1=N[N-]N=N1	REAL000000004313	1	37	-1.0	-47.20	334.86	5.13	-42.07
CCCC(NC(=O)C1CC2=CC(Br)=CC=C2O1)C1=NNN=N1	REAL000000004313	1	38	0.0	-13.82	338.29	5.15	-8.67
CCCC(NC(=O)CCC1=CN=C2C=CC=CC2=C1)C1=NN=N[N-]1	REAL000000004314	0	43	-1.0	-48.29	361.56	5.46	-42.83
CCCC(NC(=O)CCC1=CN=C2C=CC=CC2=C1)C1=N[N-]N=N1	REAL000000004314	1	43	-1.0	-48.29	361.51	5.46	-42.82
CCCC(NC(=O)CCC1=CN=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000004314	1	44	0.0	-13.31	364.93	5.47	-7.84
CCCC(NC(=O)C1=CC=C(NC(C)=O)C(F)=C1)C1=NN=N[N-]1	REAL000000004315	0	39	-1.0	-49.43	336.22	2.68	-46.75
CCCC(NC(=O)C1=CC=C(NC(C)=O)C(F)=C1)C1=N[N-]N=N1	REAL000000004315	1	39	-1.0	-49.43	336.17	2.68	-46.75
CCCC(NC(=O)C1=CC=C(NC(C)=O)C(F)=C1)C1=NNN=N1	REAL000000004315	1	40	0.0	-14.26	339.60	2.69	-11.58
CCCC(NC(=O)C(=O)C=CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000004316	0	38	-1.0	-43.04	337.29	4.85	-38.19
CCCC(NC(=O)C(=O)C=CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000004316	1	38	-1.0	-43.04	337.23	4.84	-38.20
CCCC(NC(=O)C(=O)C=CC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000004316	1	39	0.0	-9.48	340.67	4.86	-4.62
CCCC(NC(=O)C(C#N)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000004317	0	42	-1.0	-49.54	359.96	6.08	-43.47
CCCC(NC(=O)C(C#N)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000004317	1	42	-1.0	-49.54	359.90	6.07	-43.47
CCCC(NC(=O)C(C#N)CCC1=CC=CC=C1)C1=NNN=N1	REAL000000004317	1	43	0.0	-14.53	363.37	6.08	-8.46
CCCC(NC(=O)C(C)C(C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000004318	0	51	-1.0	-50.69	399.50	2.87	-47.82
CCCC(NC(=O)C(C)C(C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000004318	1	51	-1.0	-50.69	399.45	2.86	-47.82
CCCC(NC(=O)C(C)C(C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004318	1	52	0.0	-11.38	391.08	2.17	-9.22
CCCC(NC(=O)CCC(C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000004319	0	51	-1.0	-46.26	406.74	3.00	-43.26
CCCC(NC(=O)CCC(C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000004319	1	51	-1.0	-46.26	406.68	3.00	-43.26
CCCC(NC(=O)CCC(C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004319	1	52	0.0	-12.33	410.11	3.01	-9.32
CCCC(NC(=O)CC1(C(=O)OCC)CCC1)C1=NN=N[N-]1	REAL000000004320	0	44	-1.0	-52.17	357.64	4.78	-47.39
CCCC(NC(=O)CC1(C(=O)OCC)CCC1)C1=N[N-]N=N1	REAL000000004320	1	44	-1.0	-52.16	357.58	4.77	-47.39
CCCC(NC(=O)CC1(C(=O)OCC)CCC1)C1=NNN=N1	REAL000000004320	1	45	0.0	-17.17	363.29	4.84	-12.33
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2C(F)(F)F)O1)C1=NN=N[N-]1	REAL000000004321	0	42	-1.0	-51.21	372.74	6.42	-44.79
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2C(F)(F)F)O1)C1=N[N-]N=N1	REAL000000004321	1	42	-1.0	-51.22	372.68	6.42	-44.80
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2C(F)(F)F)O1)C1=NNN=N1	REAL000000004321	1	43	0.0	-12.04	376.11	6.43	-5.62
CCCC(NC(=O)C(=CC1=CC=CC=C1)OC)C1=NN=N[N-]1	REAL000000004322	0	40	-1.0	-44.22	333.75	4.89	-39.33
CCCC(NC(=O)C(=CC1=CC=CC=C1)OC)C1=N[N-]N=N1	REAL000000004322	1	40	-1.0	-44.22	333.70	4.89	-39.32
CCCC(NC(=O)C(=CC1=CC=CC=C1)OC)C1=NNN=N1	REAL000000004322	1	41	0.0	-7.38	329.91	4.57	-2.81
CCCC(NC(=O)CNC1=CC=CC=C1C(N)=O)C1=NN=N[N-]1	REAL000000004323	0	41	-1.0	-56.25	341.09	-0.20	-56.45
CCCC(NC(=O)CNC1=CC=CC=C1C(N)=O)C1=N[N-]N=N1	REAL000000004323	1	41	-1.0	-56.25	341.03	-0.21	-56.46
CCCC(NC(=O)CNC1=CC=CC=C1C(N)=O)C1=NNN=N1	REAL000000004323	1	42	0.0	-15.31	337.24	-0.53	-15.84
CCCC(NC(=O)C1=C(C)SC(Br)=N1)C1=NN=N[N-]1	REAL000000004324	0	31	-1.0	-43.86	300.36	2.03	-41.83
CCCC(NC(=O)C1=C(C)SC(Br)=N1)C1=N[N-]N=N1	REAL000000004324	1	31	-1.0	-43.86	300.30	2.03	-41.83
CCCC(NC(=O)C1=C(C)SC(Br)=N1)C1=NNN=N1	REAL000000004324	1	32	0.0	-8.26	303.74	2.04	-6.22
CCCC(NC(=O)C1=CC=CC(C2=NOC(C(F)(F)F)=N2)=C1)C1=NN=N[N-]1	REAL000000004325	0	40	-1.0	-48.95	366.24	3.38	-45.58
CCCC(NC(=O)C1=CC=CC(C2=NOC(C(F)(F)F)=N2)=C1)C1=N[N-]N=N1	REAL000000004325	1	40	-1.0	-48.95	366.18	3.38	-45.57
CCCC(NC(=O)C1=CC=CC(C2=NOC(C(F)(F)F)=N2)=C1)C1=NNN=N1	REAL000000004325	1	41	0.0	-13.93	369.62	3.38	-10.55
CCCC(NC(=O)C1=C(C2CC2)SC(Br)=N1)C1=NN=N[N-]1	REAL000000004326	0	35	-1.0	-45.28	330.50	3.52	-41.76
CCCC(NC(=O)C1=C(C2CC2)SC(Br)=N1)C1=N[N-]N=N1	REAL000000004326	1	35	-1.0	-45.28	330.45	3.52	-41.76
CCCC(NC(=O)C1=C(C2CC2)SC(Br)=N1)C1=NNN=N1	REAL000000004326	1	36	0.0	-8.59	333.87	3.54	-5.06
CCCC(NC(=O)CC1=CN=CN1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000004327	0	45	-1.0	-51.09	377.20	7.22	-43.87
CCCC(NC(=O)CC1=CN=CN1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000004327	1	45	-1.0	-51.09	377.15	7.22	-43.87
CCCC(NC(=O)CC1=CN=CN1CC1=CC=CC=C1)C1=NNN=N1	REAL000000004327	1	46	0.0	-16.63	380.59	7.23	-9.40
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C1=NN=N[N-]1	REAL000000004328	0	38	-1.0	-46.91	329.83	4.88	-42.03
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C1=N[N-]N=N1	REAL000000004328	1	38	-1.0	-46.91	329.77	4.88	-42.03
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C1=NNN=N1	REAL000000004328	1	39	0.0	-14.58	333.21	4.89	-9.69
CCCC(NC(=O)CN(C)C(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000004329	0	46	-1.0	-56.57	391.25	5.31	-51.26
CCCC(NC(=O)CN(C)C(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000004329	1	46	-1.0	-56.57	391.19	5.31	-51.26
CCCC(NC(=O)CN(C)C(=O)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000004329	1	47	0.0	-15.56	394.63	5.31	-10.24
CCCC(NC(=O)C1=CC(OC)=C(C)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000004330	0	41	-1.0	-42.65	346.46	4.23	-38.41
CCCC(NC(=O)C1=CC(OC)=C(C)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000004330	1	41	-1.0	-42.64	346.40	4.22	-38.42
CCCC(NC(=O)C1=CC(OC)=C(C)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000004330	1	42	0.0	-10.34	349.84	4.24	-6.10
CCCC(NC(=O)CCCCCN1C(=O)C2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL000000004331	0	51	-1.0	-54.88	429.72	6.27	-48.62
CCCC(NC(=O)CCCCCN1C(=O)C2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL000000004331	1	51	-1.0	-54.88	429.66	6.27	-48.62
CCCC(NC(=O)CCCCCN1C(=O)C2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000004331	1	52	0.0	-15.30	425.90	5.95	-9.35
CCCC(NC(=O)CC1=CC=CC(C)=C1Cl)C1=NN=N[N-]1	REAL000000004332	0	38	-1.0	-45.19	331.94	5.34	-39.86
CCCC(NC(=O)CC1=CC=CC(C)=C1Cl)C1=N[N-]N=N1	REAL000000004332	1	38	-1.0	-45.20	331.88	5.34	-39.86
CCCC(NC(=O)CC1=CC=CC(C)=C1Cl)C1=NNN=N1	REAL000000004332	1	39	0.0	-10.86	335.32	5.35	-5.51
CCCCS(=O)(=O)C1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000004333	0	47	-1.0	-50.04	399.47	3.66	-46.38
CCCCS(=O)(=O)C1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000004333	1	47	-1.0	-50.02	399.41	3.66	-46.36
CCCCS(=O)(=O)C1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000004333	1	48	0.0	-14.39	395.64	3.35	-11.04
CCCC(NC(=O)C1=CC=C(OCC(F)(F)F)C=N1)C1=NN=N[N-]1	REAL000000004334	0	38	-1.0	-47.11	342.51	2.59	-44.52
CCCC(NC(=O)C1=CC=C(OCC(F)(F)F)C=N1)C1=N[N-]N=N1	REAL000000004334	1	38	-1.0	-47.11	342.45	2.58	-44.53
CCCC(NC(=O)C1=CC=C(OCC(F)(F)F)C=N1)C1=NNN=N1	REAL000000004334	1	39	0.0	-9.86	338.71	2.27	-7.60
CCCC(NC(=O)C1=CC(Br)=C(C)N(C)C1=O)C1=NN=N[N-]1	REAL000000004335	0	38	-1.0	-54.05	332.18	3.72	-50.33
CCCC(NC(=O)C1=CC=C(C(C)(C)C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000004336	0	44	-1.0	-45.85	363.18	6.15	-39.70
CCCC(NC(=O)C1=CC=C(C(C)(C)C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000004336	1	44	-1.0	-45.85	363.13	6.15	-39.70
CCCC(NC(=O)C1=CC=C(C(C)(C)C(F)(F)F)C=C1)C1=NNN=N1	REAL000000004336	1	45	0.0	-12.46	367.06	6.20	-6.27
CCCC(NC(=O)CCCCCC(=O)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000004337	0	53	-1.0	-55.32	434.39	6.63	-48.68
CCCC(NC(=O)CCCCCC(=O)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000004337	1	53	-1.0	-55.31	434.34	6.63	-48.68
CCCC(NC(=O)CCCCCC(=O)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000004337	1	54	0.0	-16.20	430.58	6.32	-9.88
CCCC(NC(=O)C1CCC2=C(C1)N=NN2CC)C1=NN=N[N-]1	REAL000000004338	0	44	-1.0	-52.53	356.74	3.25	-49.28
CCCC(NC(=O)C1CCC2=C(C1)N=NN2CC)C1=N[N-]N=N1	REAL000000004338	1	44	-1.0	-52.52	356.68	3.24	-49.28
CCCC(NC(=O)C1CCC2=C(C1)N=NN2CC)C1=NNN=N1	REAL000000004338	1	45	0.0	-16.41	360.10	3.26	-13.14
CCCC(NC(=O)C1=C(C)N=C(Br)S1)C1=NN=N[N-]1	REAL000000004339	0	31	-1.0	-41.13	300.24	2.00	-39.13
CCCC(NC(=O)C1=C(C)N=C(Br)S1)C1=N[N-]N=N1	REAL000000004339	1	31	-1.0	-41.12	300.18	1.99	-39.13
CCCC(NC(=O)C1=C(C)N=C(Br)S1)C1=NNN=N1	REAL000000004339	1	32	0.0	-8.76	303.61	2.01	-6.75
CCCC(NC(=O)C1CCCS(=O)(=O)C1)C1=NN=N[N-]1	REAL000000004340	0	38	-1.0	-50.20	318.65	0.02	-50.19
CCCC(NC(=O)C1CCCS(=O)(=O)C1)C1=N[N-]N=N1	REAL000000004340	1	38	-1.0	-50.21	318.59	0.01	-50.20
CCCC(NC(=O)C1CCCS(=O)(=O)C1)C1=NNN=N1	REAL000000004340	1	39	0.0	-19.92	322.01	0.03	-19.89
CCCC(NC(=O)C1=CC=C2C(=C1)CCCCC2=O)C1=NN=N[N-]1	REAL000000004341	0	44	-1.0	-47.83	357.36	5.82	-42.01
CCCC(NC(=O)C1=CC=C2C(=C1)CCCCC2=O)C1=N[N-]N=N1	REAL000000004341	1	44	-1.0	-47.82	357.30	5.82	-42.00
CCCC(NC(=O)C1=CC=C2C(=C1)CCCCC2=O)C1=NNN=N1	REAL000000004341	1	45	0.0	-12.50	360.73	5.83	-6.67
CCCC(NC(=O)C1=CC=C2OC(=O)NC2=C1)C1=NN=N[N-]1	REAL000000004342	0	35	-1.0	-46.44	306.11	1.15	-45.29
CCCC(NC(=O)C1=CC=C2OC(=O)NC2=C1)C1=N[N-]N=N1	REAL000000004342	1	35	-1.0	-46.44	306.05	1.14	-45.29
CCCC(NC(=O)C1=CC=C2OC(=O)NC2=C1)C1=NNN=N1	REAL000000004342	1	36	0.0	-15.36	309.49	1.16	-14.20
CCCC(NC(=O)C1=C(C)N(CC2=CC=NC=C2)N=N1)C1=NN=N[N-]1	REAL000000004343	0	43	-1.0	-49.35	364.33	2.44	-46.91
CCCC(NC(=O)C1=C(C)N(CC2=CC=NC=C2)N=N1)C1=N[N-]N=N1	REAL000000004343	1	43	-1.0	-49.35	364.27	2.43	-46.92
CCCC(NC(=O)C1=C(C)N(CC2=CC=NC=C2)N=N1)C1=NNN=N1	REAL000000004343	1	44	0.0	-14.53	367.70	2.45	-12.08
CCCC(NC(=O)C1=CC(Cl)=C(C)C=C1Br)C1=NN=N[N-]1	REAL000000004344	0	35	-1.0	-44.08	326.03	5.38	-38.70
CCCC(NC(=O)C1=CC(Cl)=C(C)C=C1Br)C1=N[N-]N=N1	REAL000000004344	1	35	-1.0	-44.07	325.97	5.37	-38.70
CCCC(NC(=O)C1=CC(Cl)=C(C)C=C1Br)C1=NNN=N1	REAL000000004344	1	36	0.0	-9.27	329.41	5.39	-3.88
CCCC(NC(=O)C1=CC(=O)C2=CC=C(F)C=C2O1)C1=NN=N[N-]1	REAL000000004345	0	37	-1.0	-43.12	330.69	3.95	-39.17
CCCC(NC(=O)C1=CC(=O)C2=CC=C(F)C=C2O1)C1=N[N-]N=N1	REAL000000004345	1	37	-1.0	-43.12	330.63	3.95	-39.17
CCCC(NC(=O)C1=CC(=O)C2=CC=C(F)C=C2O1)C1=NNN=N1	REAL000000004345	1	38	0.0	-10.83	334.04	3.97	-6.86
CCCC(NC(=O)C(COC)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000004346	0	49	-1.0	-45.54	396.07	0.48	-45.06
CCCC(NC(=O)C(COC)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000004346	1	49	-1.0	-45.54	396.01	0.47	-45.07
CCCC(NC(=O)C(COC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004346	1	50	0.0	-11.66	399.45	0.48	-11.18
CCCC(NC(=O)C1=C(N)N(CC2=CC=CC=C2)N=C1C)C1=NN=N[N-]1	REAL000000004347	0	47	-1.0	-44.78	396.15	4.64	-40.14
CCCC(NC(=O)C1=C(N)N(CC2=CC=CC=C2)N=C1C)C1=N[N-]N=N1	REAL000000004347	1	47	-1.0	-44.78	396.09	4.64	-40.14
CCCC(NC(=O)C1=C(N)N(CC2=CC=CC=C2)N=C1C)C1=NNN=N1	REAL000000004347	1	48	0.0	-12.28	399.53	4.65	-7.63
CCCC(NC(=O)C(C)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000004348	0	48	-1.0	-50.69	382.97	1.89	-48.80
CCCC(NC(=O)C(C)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000004348	1	48	-1.0	-50.68	382.92	1.88	-48.80
CCCC(NC(=O)C(C)CNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004348	1	49	0.0	-15.52	386.35	1.90	-13.63
CCCC(NC(=O)C1=C2C(Br)=CC=CC2=CC=C1)C1=NN=N[N-]1	REAL000000004349	0	38	-1.0	-50.83	326.58	6.13	-44.70
CCCC(NC(=O)C1=C2C(Br)=CC=CC2=CC=C1)C1=N[N-]N=N1	REAL000000004349	1	38	-1.0	-50.84	326.53	6.13	-44.70
CCCC(NC(=O)C1=C2C(Br)=CC=CC2=CC=C1)C1=NNN=N1	REAL000000004349	1	39	0.0	-12.06	329.98	6.14	-5.92
CCCC(NC(=O)C(C)OC1=CC=C(C=O)C=C1)C1=NN=N[N-]1	REAL000000004350	0	41	-1.0	-51.19	348.41	4.54	-46.65
CCCC(NC(=O)C(C)OC1=CC=C(C=O)C=C1)C1=N[N-]N=N1	REAL000000004350	1	41	-1.0	-51.19	348.35	4.53	-46.66
CCCC(NC(=O)C(C)OC1=CC=C(C=O)C=C1)C1=NNN=N1	REAL000000004350	1	42	0.0	-15.71	343.81	4.16	-11.54
CCCC(NC(=O)C1=CN=C(Cl)C(Br)=C1)C1=NN=N[N-]1	REAL000000004351	0	31	-1.0	-41.11	305.62	2.86	-38.26
CCCC(NC(=O)C1=CN=C(Cl)C(Br)=C1)C1=N[N-]N=N1	REAL000000004351	1	31	-1.0	-41.11	305.56	2.85	-38.26
CCCC(NC(=O)C1=CN=C(Cl)C(Br)=C1)C1=NNN=N1	REAL000000004351	1	32	0.0	-7.04	301.81	2.53	-4.51
CCCC(NC(=O)C1=CC=C2OC(=O)N=C2[N-]1)C1=NN=N[N-]1	REAL000000004352	0	33	-2.0	-87.92	299.82	-1.31	-89.23
CCCC(NC(=O)C1=CC=C2OC(=O)N=C2[N-]1)C1=N[N-]N=N1	REAL000000004352	1	33	-2.0	-87.92	299.76	-1.31	-89.24
CCCC(NC(=O)C1=CC=C2OC(=O)N=C2[N-]1)C1=NNN=N1	REAL000000004352	1	34	-1.0	-41.20	296.02	-1.64	-42.84
CCCC(NC(=O)C1=COC2=CC=C(C(C)C)C=C12)C1=NN=N[N-]1	REAL000000004353	0	44	-1.0	-51.86	363.20	5.91	-45.95
CCCC(NC(=O)C1=COC2=CC=C(C(C)C)C=C12)C1=N[N-]N=N1	REAL000000004353	1	44	-1.0	-51.86	363.14	5.90	-45.96
CCCC(NC(=O)C1=COC2=CC=C(C(C)C)C=C12)C1=NNN=N1	REAL000000004353	1	45	0.0	-10.90	359.40	5.59	-5.31
CCCC(NC(=O)C1=CC=C(C2=C3N=CC=CC3=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000004354	0	47	-1.0	-51.03	394.21	7.94	-43.08
CCCC(NC(=O)C1=CC=C(C2=C3N=CC=CC3=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000004354	1	47	-1.0	-51.03	394.15	7.94	-43.09
CCCC(NC(=O)C1=CC=C(C2=C3N=CC=CC3=CC=C2)C=C1)C1=NNN=N1	REAL000000004354	1	48	0.0	-11.69	390.41	7.62	-4.07
CCCC(NC(=O)C1=CC=NC(NC(=O)C2CC2)=C1)C1=NN=N[N-]1	REAL000000004355	0	42	-1.0	-49.77	357.93	3.82	-45.95
CCCC(NC(=O)C1=CC=NC(NC(=O)C2CC2)=C1)C1=N[N-]N=N1	REAL000000004355	1	42	-1.0	-49.76	357.87	3.81	-45.95
CCCC(NC(=O)C1=CC=NC(NC(=O)C2CC2)=C1)C1=NNN=N1	REAL000000004355	1	43	0.0	-17.31	361.30	3.83	-13.48
CCCC(NC(=O)C1=CC=C(C(F)(F)F)S1)C1=NN=N[N-]1	REAL000000004356	0	32	-1.0	-41.73	306.90	3.82	-37.91
CCCC(NC(=O)C1=CC=C(C(F)(F)F)S1)C1=N[N-]N=N1	REAL000000004356	1	32	-1.0	-41.72	306.84	3.81	-37.92
CCCC(NC(=O)C1=CC=C(C(F)(F)F)S1)C1=NNN=N1	REAL000000004356	1	33	0.0	-8.75	310.27	3.83	-4.92
CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)C1=NN=N[N-]1	REAL000000004357	0	51	0.0	-60.81	403.97	7.46	-53.35
CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)C1=NN=N[N-]1	REAL000000004357	1	51	0.0	-53.17	398.06	7.72	-45.46
CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)C1=N[N-]N=N1	REAL000000004357	1	51	0.0	-60.80	403.92	7.46	-53.34
CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)C1=N[N-]N=N1	REAL000000004357	1	51	0.0	-53.16	398.00	7.71	-45.45
CCCC(NC(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000004358	0	46	-1.0	-59.82	386.39	5.66	-54.16
CCCC(NC(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000004358	1	46	-1.0	-59.82	386.33	5.67	-54.15
CCCC(NC(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000004358	1	47	0.0	-22.22	389.77	5.67	-16.55
CCCC(NC(=O)COC1=CC=C(CO)C=C1)C1=NN=N[N-]1	REAL000000004359	0	40	-1.0	-51.38	340.71	1.54	-49.84
CCCC(NC(=O)COC1=CC=C(CO)C=C1)C1=N[N-]N=N1	REAL000000004359	1	40	-1.0	-51.38	340.65	1.54	-49.83
CCCC(NC(=O)COC1=CC=C(CO)C=C1)C1=NNN=N1	REAL000000004359	1	41	0.0	-16.24	344.08	1.55	-14.69
CCCC(NC(=O)CCCCCS(N)(=O)=O)C1=NN=N[N-]1	REAL000000004360	0	42	-1.0	-57.93	360.19	-1.31	-59.24
CCCC(NC(=O)CCCCCS(N)(=O)=O)C1=N[N-]N=N1	REAL000000004360	1	42	-1.0	-57.93	360.13	-1.31	-59.24
CCCC(NC(=O)CCCCCS(N)(=O)=O)C1=NNN=N1	REAL000000004360	1	43	0.0	-22.25	363.71	-1.31	-23.55
CCCC(NC(=O)C1CSC(C2=CC=CC=C2O)=N1)C1=NN=N[N-]1	REAL000000004361	0	41	-1.0	-51.34	359.45	1.22	-50.12
CCCC(NC(=O)C1CSC(C2=CC=CC=C2O)=N1)C1=N[N-]N=N1	REAL000000004361	1	41	-1.0	-51.34	359.39	1.22	-50.12
CCCC(NC(=O)C1CSC(C2=CC=CC=C2O)=N1)C1=NNN=N1	REAL000000004361	1	42	0.0	-13.12	355.63	0.91	-12.21
CCCC(NC(=O)CN(C)S(=O)(=O)N(C)C)C1=NN=N[N-]1	REAL000000004362	0	41	-1.0	-60.59	350.51	-0.74	-61.32
CCCC(NC(=O)CN(C)S(=O)(=O)N(C)C)C1=N[N-]N=N1	REAL000000004362	1	41	-1.0	-60.58	350.46	-0.74	-61.32
CCCC(NC(=O)CN(C)S(=O)(=O)N(C)C)C1=NNN=N1	REAL000000004362	1	42	0.0	-12.92	350.81	-0.76	-13.68
CCCC(NC(=O)CCCCCCS(N)(=O)=O)C1=NN=N[N-]1	REAL000000004363	0	45	-1.0	-54.77	381.68	-0.53	-55.30
CCCC(NC(=O)CCCCCCS(N)(=O)=O)C1=N[N-]N=N1	REAL000000004363	1	45	-1.0	-54.77	381.63	-0.53	-55.30
CCCC(NC(=O)CCCCCCS(N)(=O)=O)C1=NNN=N1	REAL000000004363	1	46	0.0	-20.41	385.06	-0.52	-20.93
CCCC(NC(=O)C(CCC)S(N)(=O)=O)C1=NN=N[N-]1	REAL000000004364	0	39	-1.0	-42.58	328.40	-1.97	-44.55
CCCC(NC(=O)C(CCC)S(N)(=O)=O)C1=N[N-]N=N1	REAL000000004364	1	39	-1.0	-42.58	328.34	-1.97	-44.55
CCCC(NC(=O)C(CCC)S(N)(=O)=O)C1=NNN=N1	REAL000000004364	1	40	0.0	-13.61	332.14	-2.02	-15.63
CCCC(NC(=O)C(=O)C1=CC(S(N)(=O)=O)=CN1C)C1=NN=N[N-]1	REAL000000004365	0	40	-1.0	-50.97	355.50	-2.17	-53.14
CCCC(NC(=O)C(=O)C1=CC(S(N)(=O)=O)=CN1C)C1=N[N-]N=N1	REAL000000004365	1	40	-1.0	-50.97	355.44	-2.18	-53.15
CCCC(NC(=O)C(=O)C1=CC(S(N)(=O)=O)=CN1C)C1=NNN=N1	REAL000000004365	1	41	0.0	-15.29	351.76	-2.49	-17.79
CCCC(NC(=O)C1=CC=C2N=CN(C)C2=N1)C1=NN=N[N-]1	REAL000000004366	0	37	-1.0	-49.90	319.85	4.22	-45.68
CCCC(NC(=O)C1=CC=C2N=CN(C)C2=N1)C1=N[N-]N=N1	REAL000000004366	1	37	-1.0	-49.89	319.79	4.22	-45.68
CCCC(NC(=O)C1=CC=C2N=CN(C)C2=N1)C1=NNN=N1	REAL000000004366	1	38	0.0	-12.11	316.05	3.89	-8.21
CCCC(NC(=O)C1=NC2=CC(OC)=C(OC)C=C2N(C)C1=O)C1=NN=N[N-]1	REAL000000004367	0	48	-1.0	-58.35	396.61	3.23	-55.12
CCCC(NC(=O)C1=CN2C=CC(Br)=CC2=N1)C1=NN=N[N-]1	REAL000000004368	0	35	-1.0	-47.88	326.13	4.73	-43.16
CCCC(NC(=O)C1=CN2C=CC(Br)=CC2=N1)C1=N[N-]N=N1	REAL000000004368	1	35	-1.0	-47.89	326.07	4.72	-43.17
CCCC(NC(=O)C1=CN2C=CC(Br)=CC2=N1)C1=NNN=N1	REAL000000004368	1	36	0.0	-11.62	329.50	4.73	-6.89
CCCC(NC(=O)C1CCN(S(=O)(=O)NC)CC1)C1=NN=N[N-]1	REAL000000004369	0	45	-1.0	-48.44	367.74	-1.18	-49.62
CCCC(NC(=O)C1CCN(S(=O)(=O)NC)CC1)C1=N[N-]N=N1	REAL000000004369	1	45	-1.0	-48.42	367.68	-1.19	-49.62
CCCC(NC(=O)C1CCN(S(=O)(=O)NC)CC1)C1=NNN=N1	REAL000000004369	1	46	0.0	-16.06	371.09	-1.18	-17.24
CCCC(NC(=O)C1=C(Cl)N=C2C(C)=CC=CC2=C1)C1=NN=N[N-]1	REAL000000004370	0	40	-1.0	-50.13	348.35	5.30	-44.84
CCCC(NC(=O)C1=C(Cl)N=C2C(C)=CC=CC2=C1)C1=N[N-]N=N1	REAL000000004370	1	40	-1.0	-50.13	348.30	5.30	-44.83
CCCC(NC(=O)C1=C(Cl)N=C2C(C)=CC=CC2=C1)C1=NNN=N1	REAL000000004370	1	41	0.0	-11.78	344.53	4.99	-6.79
CCCC(NC(=O)C1=CC=NC(S(C)(=O)=O)=N1)C1=NN=N[N-]1	REAL000000004371	0	36	-1.0	-49.45	329.49	-1.64	-51.09
CCCC(NC(=O)C1=CC=NC(S(C)(=O)=O)=N1)C1=N[N-]N=N1	REAL000000004371	1	36	-1.0	-49.45	329.43	-1.64	-51.09
CCCC(NC(=O)C1=CC=NC(S(C)(=O)=O)=N1)C1=NNN=N1	REAL000000004371	1	37	0.0	-17.13	332.87	-1.63	-18.76
CCCC(NC(=O)C1CCCN(CC(F)F)C1)C1=NN=N[N-]1	REAL000000004372	0	43	-1.0	-50.90	338.00	1.92	-48.98
CCCC(NC(=O)C1CCCN(CC(F)F)C1)C1=N[N-]N=N1	REAL000000004372	1	43	-1.0	-50.90	337.94	1.91	-48.99
CCCC(NC(=O)C1CCCN(CC(F)F)C1)C1=NNN=N1	REAL000000004372	1	44	0.0	-13.14	341.38	1.93	-11.21
CCCC(NC(=O)C1=CC(Br)=CC2=C1NC(=O)N2)C1=NN=N[N-]1	REAL000000004373	0	36	-1.0	-47.05	329.13	1.26	-45.79
CCCC(NC(=O)C1=CC(Br)=CC2=C1NC(=O)N2)C1=N[N-]N=N1	REAL000000004373	1	36	-1.0	-47.05	329.07	1.26	-45.78
CCCC(NC(=O)C1=CC(Br)=CC2=C1NC(=O)N2)C1=NNN=N1	REAL000000004373	1	37	0.0	-10.84	325.33	0.94	-9.90
CCCC(NC(=O)C1CCN(C2=CC=C(C#N)C=C2F)C1)C1=NN=N[N-]1	REAL000000004374	0	45	-1.0	-45.65	379.80	4.50	-41.14
CCCC(NC(=O)C1CCN(C2=CC=C(C#N)C=C2F)C1)C1=N[N-]N=N1	REAL000000004374	1	45	-1.0	-45.64	379.74	4.49	-41.15
CCCC(NC(=O)C1CCN(C2=CC=C(C#N)C=C2F)C1)C1=NNN=N1	REAL000000004374	1	46	0.0	-12.03	383.19	4.50	-7.53
CCCC(NC(=O)C1=CC=C(N)C(OC(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000004375	0	38	-1.0	-49.92	334.14	1.43	-48.49
CCCC(NC(=O)C1=CC=C(N)C(OC(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000004375	1	38	-1.0	-49.93	334.08	1.43	-48.50
CCCC(NC(=O)C1=CC=C(N)C(OC(F)(F)F)=C1)C1=NNN=N1	REAL000000004375	1	39	0.0	-13.97	337.52	1.44	-12.53
CCCC(NC(=O)CC1COCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000004376	0	53	-1.0	-45.90	406.35	2.65	-43.25
CCCC(NC(=O)CC1COCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000004376	1	53	-1.0	-45.91	406.29	2.65	-43.26
CCCC(NC(=O)CC1COCCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004376	1	54	0.0	-9.94	409.58	2.66	-7.27
CCCC(NC(=O)C1CCN(C2=CC=C(C#N)C=C2F)CC1)C1=NN=N[N-]1	REAL000000004377	0	48	-1.0	-46.76	392.60	5.20	-41.56
CCCC(NC(=O)C1CCN(C2=CC=C(C#N)C=C2F)CC1)C1=N[N-]N=N1	REAL000000004377	1	48	-1.0	-46.76	392.55	5.19	-41.56
CCCC(NC(=O)C1CCN(C2=CC=C(C#N)C=C2F)CC1)C1=NNN=N1	REAL000000004377	1	49	0.0	-12.42	396.04	5.21	-7.21
CCCC(NC(=O)C1=CC=C2N=CC=C(C)C2=C1)C1=NN=N[N-]1	REAL000000004378	0	40	-1.0	-47.70	333.39	4.58	-43.12
CCCC(NC(=O)C1=CC=C2N=CC=C(C)C2=C1)C1=N[N-]N=N1	REAL000000004378	1	40	-1.0	-47.71	333.33	4.57	-43.14
CCCC(NC(=O)C1=CC=C2N=CC=C(C)C2=C1)C1=NNN=N1	REAL000000004378	1	41	0.0	-9.89	329.57	4.26	-5.63
CCCC(NC(=O)C1=CC2=CC=CC=C2C(=O)N1C)C1=NN=N[N-]1	REAL000000004379	0	41	-1.0	-48.24	339.36	4.62	-43.62
CCCC(NC(=O)C1=CC2=CC=CC=C2C(=O)N1C)C1=N[N-]N=N1	REAL000000004379	1	41	-1.0	-48.23	339.30	4.61	-43.62
CCCC(NC(=O)C1=CC2=CC=CC=C2C(=O)N1C)C1=NNN=N1	REAL000000004379	1	42	0.0	-12.98	335.54	4.30	-8.69
CCCC(NC(=O)C1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)C1=NN=N[N-]1	REAL000000004380	0	42	-1.0	-45.68	374.03	5.79	-39.90
CCCC(NC(=O)C1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)C1=N[N-]N=N1	REAL000000004380	1	42	-1.0	-45.68	373.98	5.79	-39.89
CCCC(NC(=O)C1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)C1=NNN=N1	REAL000000004380	1	43	0.0	-12.60	377.41	5.79	-6.81
CCCC(NC(=O)C=CC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL000000004381	0	36	-1.0	-45.30	321.59	4.97	-40.33
CCCC(NC(=O)C=CC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL000000004381	1	36	-1.0	-45.30	321.53	4.97	-40.33
CCCC(NC(=O)C=CC1=CC=C(F)C(F)=C1)C1=NNN=N1	REAL000000004381	1	37	0.0	-11.90	324.96	4.98	-6.92
CCCC(NC(=O)CCOC1=CC=CC=C1CC)C1=NN=N[N-]1	REAL000000004382	0	45	-1.0	-45.46	370.55	5.47	-39.99
CCCC(NC(=O)CCOC1=CC=CC=C1CC)C1=N[N-]N=N1	REAL000000004382	1	45	-1.0	-45.46	370.49	5.46	-39.99
CCCC(NC(=O)CCOC1=CC=CC=C1CC)C1=NNN=N1	REAL000000004382	1	46	0.0	-10.97	373.92	5.48	-5.49
CCCC(NC(=O)C(O)C1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000004383	0	39	-1.0	-43.49	345.29	3.37	-40.12
CCCC(NC(=O)C(O)C1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000004383	1	39	-1.0	-43.49	345.23	3.37	-40.12
CCCC(NC(=O)C(O)C1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000004383	1	40	0.0	-11.00	348.66	3.38	-7.62
CCCC(NC(=O)C1=CC=C(OC)C(OC)=C1C)C1=NN=N[N-]1	REAL000000004384	0	43	-1.0	-46.89	351.49	3.74	-43.15
CCCC(NC(=O)C1=CC=C(OC)C(OC)=C1C)C1=N[N-]N=N1	REAL000000004384	1	43	-1.0	-46.88	351.44	3.74	-43.14
CCCC(NC(=O)C1=CC=C(OC)C(OC)=C1C)C1=NNN=N1	REAL000000004384	1	44	0.0	-13.27	354.87	3.75	-9.52
CCCC(NC(=O)C1=CC(F)=C(C(F)(F)F)C=C1F)C1=NN=N[N-]1	REAL000000004385	0	35	-1.0	-43.36	323.13	4.78	-38.58
CCCC(NC(=O)C1=CC(F)=C(C(F)(F)F)C=C1F)C1=N[N-]N=N1	REAL000000004385	1	35	-1.0	-43.35	323.07	4.77	-38.58
CCCC(NC(=O)C1=CC(F)=C(C(F)(F)F)C=C1F)C1=NNN=N1	REAL000000004385	1	36	0.0	-11.07	326.51	4.79	-6.28
CCCC(NC(=O)C1=CN(CCOC)C(C)=CC1=O)C1=NN=N[N-]1	REAL000000004386	0	45	-1.0	-57.23	364.94	3.85	-53.37
CCCC(NC(=O)C1=CN(CCOC)C(C)=CC1=O)C1=N[N-]N=N1	REAL000000004386	1	45	-1.0	-57.23	364.89	3.84	-53.39
CCCC(NC(=O)C1=CN(CCOC)C(C)=CC1=O)C1=NNN=N1	REAL000000004386	1	46	0.0	-19.42	365.06	3.15	-16.27
CCCC(NC(=O)C1CCC2=CN=C(C)N2C1)C1=NN=N[N-]1	REAL000000004387	0	42	-1.0	-45.80	338.76	4.34	-41.46
CCCC(NC(=O)C1=CC=C(OC(F)(F)F)C=N1)C1=NN=N[N-]1	REAL000000004388	0	35	-1.0	-42.75	317.58	1.66	-41.10
CCCC(NC(=O)C1=CC=C(OC(F)(F)F)C=N1)C1=N[N-]N=N1	REAL000000004388	1	35	-1.0	-42.75	317.52	1.65	-41.10
CCCC(NC(=O)C1=CC=C(OC(F)(F)F)C=N1)C1=NNN=N1	REAL000000004388	1	36	0.0	-8.28	320.95	1.67	-6.61
CCCC(NC(=O)COCC1=NN=C(C)S1)C1=NN=N[N-]1	REAL000000004389	0	37	-1.0	-56.86	334.65	1.48	-55.38
CCCC(NC(=O)COCC1=NN=C(C)S1)C1=N[N-]N=N1	REAL000000004389	1	37	-1.0	-56.85	334.59	1.48	-55.37
CCCC(NC(=O)COCC1=NN=C(C)S1)C1=NNN=N1	REAL000000004389	1	38	0.0	-16.86	330.84	1.06	-15.80
CCCC(NC(=O)C1=COC2=CC=C(CC)C=C12)C1=NN=N[N-]1	REAL000000004390	0	41	-1.0	-51.68	345.93	5.41	-46.27
CCCC(NC(=O)C1=COC2=CC=C(CC)C=C12)C1=N[N-]N=N1	REAL000000004390	1	41	-1.0	-51.68	345.87	5.41	-46.26
CCCC(NC(=O)C1=COC2=CC=C(CC)C=C12)C1=NNN=N1	REAL000000004390	1	42	0.0	-15.02	349.31	5.42	-9.59
CCCC(NC(=O)C1=CC(F)=C(Br)C(Cl)=C1)C1=NN=N[N-]1	REAL000000004391	0	32	-1.0	-40.59	316.13	4.77	-35.82
CCCC(NC(=O)C1=CC(F)=C(Br)C(Cl)=C1)C1=N[N-]N=N1	REAL000000004391	1	32	-1.0	-40.59	316.08	4.77	-35.82
CCCC(NC(=O)C1=CC(F)=C(Br)C(Cl)=C1)C1=NNN=N1	REAL000000004391	1	33	0.0	-6.32	312.32	4.45	-1.87
CCCC(NC(=O)C1=CC=C(C(C)=O)C(O)=C1)C1=NN=N[N-]1	REAL000000004392	0	38	-1.0	-51.78	324.38	2.67	-49.11
CCCC(NC(=O)C1=CC=C(C(C)=O)C(O)=C1)C1=N[N-]N=N1	REAL000000004392	1	38	-1.0	-51.77	324.32	2.67	-49.11
CCCC(NC(=O)C1=CC=C(C(C)=O)C(O)=C1)C1=NNN=N1	REAL000000004392	1	39	0.0	-18.75	329.26	2.74	-16.01
CCCC(NC(=O)C1=C(CC(=O)OCC)C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL000000004393	0	48	-1.0	-52.16	403.11	5.95	-46.22
CCCC(NC(=O)C1=C(CC(=O)OCC)C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL000000004393	1	48	-1.0	-52.15	403.05	5.94	-46.22
CCCC(NC(=O)C1=C(CC(=O)OCC)C2=CC=CC=C2N1)C1=NNN=N1	REAL000000004393	1	49	0.0	-11.84	399.31	5.62	-6.22
CCCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000004394	0	54	0.0	-64.22	418.20	8.11	-56.10
CCCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000004394	1	54	0.0	-51.02	411.95	8.30	-42.72
CCCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000004394	1	54	0.0	-64.20	418.15	8.11	-56.09
CCCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000004394	1	54	0.0	-51.01	411.89	8.30	-42.71
CCCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000004394	1	55	1.0	-38.60	415.32	8.31	-30.29
CCCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000004394	1	55	1.0	-37.09	415.33	8.31	-28.78
CCCC(NC(=O)C1=COC(SC2=NC=CC=N2)=N1)C1=NN=N[N-]1	REAL000000004395	0	37	-1.0	-49.41	342.62	0.31	-49.09
CCCC(NC(=O)C1=COC(SC2=NC=CC=N2)=N1)C1=N[N-]N=N1	REAL000000004395	1	37	-1.0	-49.41	342.56	0.31	-49.10
CCCC(NC(=O)C1=COC(SC2=NC=CC=N2)=N1)C1=NNN=N1	REAL000000004395	1	38	0.0	-13.90	345.99	0.32	-13.58
CCCC(NC(=O)C1=C(CC(=O)OC)C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL000000004396	0	45	-1.0	-51.82	381.26	5.02	-46.80
CCCC(NC(=O)C1=C(CC(=O)OC)C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL000000004396	1	45	-1.0	-51.82	381.20	5.02	-46.80
CCCC(NC(=O)C1=C(CC(=O)OC)C2=CC=CC=C2N1)C1=NNN=N1	REAL000000004396	1	46	0.0	-15.31	384.65	5.03	-10.28
CCCC(NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C1=NN=N[N-]1	REAL000000004397	0	59	0.0	-65.18	425.44	4.77	-60.41
CCCC(NC(=O)C(C)CN1C=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000004398	0	45	-1.0	-43.76	363.78	6.57	-37.19
CCCC(NC(=O)C(C)CN1C=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000004398	1	45	-1.0	-43.75	363.72	6.57	-37.18
CCCC(NC(=O)C(C)CN1C=CC2=CC=CC=C21)C1=NNN=N1	REAL000000004398	1	46	0.0	-8.54	359.92	6.25	-2.29
CCCC(NC(=O)C1=CC=C2OC(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL000000004399	0	34	-2.0	-93.01	314.85	0.96	-92.06
CCCC(NC(=O)C1=CC=C2OC(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL000000004399	1	34	-2.0	-93.01	314.79	0.96	-92.05
CCCC(NC(=O)C1=CC=C2OC(=S)[N-]C2=C1)C1=NNN=N1	REAL000000004399	1	35	-1.0	-46.48	311.04	0.64	-45.84
CCCC(NC(=O)C(CO)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000004400	0	39	-1.0	-45.31	342.39	2.07	-43.24
CCCC(NC(=O)C(CO)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000004400	1	39	-1.0	-45.30	342.34	2.06	-43.25
CCCC(NC(=O)C(CO)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000004400	1	40	0.0	-11.62	345.77	2.08	-9.54
CCCC(NC(=O)COC1=CC=C(Br)C=C1C(C)=O)C1=NN=N[N-]1	REAL000000004401	0	41	-1.0	-57.59	367.52	6.24	-51.34
CCCC(NC(=O)COC1=CC=C(Br)C=C1C(C)=O)C1=N[N-]N=N1	REAL000000004401	1	41	-1.0	-57.59	367.46	6.24	-51.35
CCCC(NC(=O)COC1=CC=C(Br)C=C1C(C)=O)C1=NNN=N1	REAL000000004401	1	42	0.0	-16.97	363.67	5.83	-11.15
CCCC(NC(=O)C1=C(C)NC(=O)C(Br)=C1)C1=NN=N[N-]1	REAL000000004402	0	35	-1.0	-43.01	315.54	1.85	-41.16
CCCC(NC(=O)C1=C(C)NC(=O)C(Br)=C1)C1=N[N-]N=N1	REAL000000004402	1	35	-1.0	-43.00	315.49	1.85	-41.15
CCCC(NC(=O)C1=C(C)NC(=O)C(Br)=C1)C1=NNN=N1	REAL000000004402	1	36	0.0	-12.84	318.92	1.86	-10.98
CCCC(NC(=O)C1=NC=C(CC2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL000000004403	0	41	-1.0	-48.69	356.79	3.31	-45.38
CCCC(NC(=O)C1=NC=C(CC2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL000000004403	1	41	-1.0	-48.69	356.74	3.30	-45.39
CCCC(NC(=O)C1=NC=C(CC2=CC=CC=C2)O1)C1=NNN=N1	REAL000000004403	1	42	0.0	-12.86	360.16	3.32	-9.54
CCCC(NC(=O)C1=CC(C#N)=CC=C1Cl)C1=NN=N[N-]1	REAL000000004404	0	33	-1.0	-46.36	307.66	4.56	-41.80
CCCC(NC(=O)C1=CC(C#N)=CC=C1Cl)C1=N[N-]N=N1	REAL000000004404	1	33	-1.0	-46.37	307.61	4.55	-41.81
CCCC(NC(=O)C1=CC(C#N)=CC=C1Cl)C1=NNN=N1	REAL000000004404	1	34	0.0	-12.41	311.04	4.57	-7.84
CCCC(NC(=O)C(C)C1=CC=CC(CC(C)C)=C1)C1=NN=N[N-]1	REAL000000004405	0	50	-1.0	-46.24	396.05	7.55	-38.69
CCCC(NC(=O)C(C)C1=CC=CC(CC(C)C)=C1)C1=N[N-]N=N1	REAL000000004405	1	50	-1.0	-46.23	395.99	7.54	-38.69
CCCC(NC(=O)C(C)C1=CC=CC(CC(C)C)=C1)C1=NNN=N1	REAL000000004405	1	51	0.0	-7.51	392.22	7.23	-0.28
CCCC(NC(=O)C1CCCC2CCCCC21)C1=NN=N[N-]1	REAL000000004406	0	48	-1.0	-45.65	350.77	6.03	-39.62
CCCC(NC(=O)C1CCCC2CCCCC21)C1=N[N-]N=N1	REAL000000004406	1	48	-1.0	-45.65	350.72	6.03	-39.62
CCCC(NC(=O)C1CCCC2CCCCC21)C1=NNN=N1	REAL000000004406	1	49	0.0	-5.36	342.44	5.56	0.20
CCCC(NC(=O)C1CCS(=O)(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000004407	0	42	-1.0	-53.39	355.06	1.79	-51.60
CCCC(NC(=O)C1CCS(=O)(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000004407	1	42	-1.0	-53.39	355.01	1.78	-51.61
CCCC(NC(=O)C1CCS(=O)(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000004407	1	43	0.0	-17.88	346.35	1.86	-16.02
CCCC(NC(=O)C1=CC(C(F)(F)F)=NN1)C1=NN=N[N-]1	REAL000000004408	0	32	-1.0	-41.55	297.36	1.07	-40.48
CCCC(NC(=O)C1=CC(C(F)(F)F)=NN1)C1=N[N-]N=N1	REAL000000004408	1	32	-1.0	-41.54	297.30	1.07	-40.47
CCCC(NC(=O)C1=CC(C(F)(F)F)=NN1)C1=NNN=N1	REAL000000004408	1	33	0.0	-11.07	300.74	1.08	-9.98
CCCC(NC(=O)C1=CC=C(C2=CSC(C)=N2)C=C1)C1=NN=N[N-]1	REAL000000004409	0	41	-1.0	-49.78	358.62	5.08	-44.70
CCCC(NC(=O)C1=CC=C(C2=CSC(C)=N2)C=C1)C1=N[N-]N=N1	REAL000000004409	1	41	-1.0	-49.78	358.56	5.08	-44.71
CCCC(NC(=O)C1=CC=C(C2=CSC(C)=N2)C=C1)C1=NNN=N1	REAL000000004409	1	42	0.0	-14.36	362.00	5.09	-9.27
CCCC(NC(=O)C1=CC(Br)=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL000000004410	0	40	-1.0	-43.29	357.30	3.65	-39.64
CCCC(NC(=O)C1=CC(Br)=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL000000004410	1	40	-1.0	-43.29	357.25	3.64	-39.65
CCCC(NC(=O)C1=CC(Br)=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000004410	1	41	0.0	-10.66	360.68	3.66	-7.00
CCCC(NC(=O)CCN(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000004411	0	48	-1.0	-51.46	385.39	3.68	-47.78
CCCC(NC(=O)CCN(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000004411	1	48	-1.0	-51.45	385.34	3.68	-47.77
CCCC(NC(=O)CCN(C)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004411	1	49	0.0	-10.98	381.60	3.36	-7.62
CCCC(NC(=O)C1=C(C)N(CC2=NOC(C)=C2)N=N1)C1=NN=N[N-]1	REAL000000004412	0	43	-1.0	-51.80	370.64	2.52	-49.28
CCCC(NC(=O)C1=C(C)N(CC2=NOC(C)=C2)N=N1)C1=N[N-]N=N1	REAL000000004412	1	43	-1.0	-51.80	370.59	2.51	-49.29
CCCC(NC(=O)C1=C(C)N(CC2=NOC(C)=C2)N=N1)C1=NNN=N1	REAL000000004412	1	44	0.0	-14.81	374.01	2.53	-12.28
CCCC(NC(=O)C1=CSC=C1Br)C1=NN=N[N-]1	REAL000000004413	0	29	-1.0	-47.47	283.34	3.20	-44.27
CCCC(NC(=O)C1=CSC=C1Br)C1=N[N-]N=N1	REAL000000004413	1	29	-1.0	-47.46	283.28	3.19	-44.28
CCCC(NC(=O)C1=CSC=C1Br)C1=NNN=N1	REAL000000004413	1	30	0.0	-11.88	286.72	3.20	-8.68
CCCC(NC(=O)C1=CC(Br)=C(C)C=C1OC)C1=NN=N[N-]1	REAL000000004414	0	39	-1.0	-48.89	341.09	5.40	-43.50
CCCC(NC(=O)C1=CC(Br)=C(C)C=C1OC)C1=N[N-]N=N1	REAL000000004414	1	39	-1.0	-48.89	341.04	5.40	-43.49
CCCC(NC(=O)C1=CC(Br)=C(C)C=C1OC)C1=NNN=N1	REAL000000004414	1	40	0.0	-9.06	337.29	4.97	-4.09
CCCC(NC(=O)CCC1=CC=CC(OC)=C1F)C1=NN=N[N-]1	REAL000000004415	0	42	-1.0	-47.70	355.15	4.48	-43.22
CCCC(NC(=O)CCC1=CC=CC(OC)=C1F)C1=N[N-]N=N1	REAL000000004415	1	42	-1.0	-47.70	355.09	4.47	-43.22
CCCC(NC(=O)CCC1=CC=CC(OC)=C1F)C1=NNN=N1	REAL000000004415	1	43	0.0	-14.82	358.52	4.49	-10.32
CCCC(NC(=O)C1CC12CCC(C(C)(C)CC)CC2)C1=NN=N[N-]1	REAL000000004416	0	57	-1.0	-46.14	411.15	7.78	-38.35
CCCC(NC(=O)C1CC12CCC(C(C)(C)CC)CC2)C1=N[N-]N=N1	REAL000000004416	1	57	-1.0	-46.13	411.09	7.77	-38.36
CCCC(NC(=O)C1CC12CCC(C(C)(C)CC)CC2)C1=NNN=N1	REAL000000004416	1	58	0.0	-5.73	407.35	7.46	1.73
CCCC(NC(=O)CC(C1=NC=CN1C)C(F)(F)F)C1=NN=N[N-]1	REAL000000004417	0	41	-1.0	-46.63	352.71	3.89	-42.74
CCCC(NC(=O)CC(C1=NC=CN1C)C(F)(F)F)C1=N[N-]N=N1	REAL000000004417	1	41	-1.0	-46.62	352.66	3.88	-42.74
CCCC(NC(=O)CC(C1=NC=CN1C)C(F)(F)F)C1=NNN=N1	REAL000000004417	1	42	0.0	-12.80	355.32	3.87	-8.93
CCCC(NC(=O)CC(C1=NC=CN1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000004418	0	45	-1.0	-54.62	368.11	5.52	-49.11
CCCC(NC(=O)CC(C1=NC=CN1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000004418	1	45	-1.0	-54.63	368.05	5.51	-49.12
CCCC(NC(=O)CC(C1=NC=CN1)C1=CC=CC=C1)C1=NNN=N1	REAL000000004418	1	46	0.0	-16.25	371.50	5.53	-10.72
CCCC(NC(=O)C1=NC(S(C)(=O)=O)=NC=C1C)C1=NN=N[N-]1	REAL000000004419	0	39	-1.0	-53.05	345.73	-0.96	-54.01
CCCC(NC(=O)C1=NC(S(C)(=O)=O)=NC=C1C)C1=N[N-]N=N1	REAL000000004419	1	39	-1.0	-53.04	345.67	-0.97	-54.01
CCCC(NC(=O)C1=NC(S(C)(=O)=O)=NC=C1C)C1=NNN=N1	REAL000000004419	1	40	0.0	-16.65	349.10	-0.95	-17.60
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1F)C1=NN=N[N-]1	REAL000000004420	0	34	-1.0	-46.75	307.09	4.40	-42.36
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1F)C1=N[N-]N=N1	REAL000000004420	1	34	-1.0	-46.75	307.03	4.40	-42.35
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1F)C1=NNN=N1	REAL000000004420	1	35	0.0	-12.54	310.47	4.40	-8.14
CCCC(NC(=O)C1=C(Cl)C(Cl)=NS1)C1=NN=N[N-]1	REAL000000004421	0	28	-1.0	-41.43	292.16	2.19	-39.24
CCCC(NC(=O)C1=C(Cl)C(Cl)=NS1)C1=N[N-]N=N1	REAL000000004421	1	28	-1.0	-41.42	292.10	2.18	-39.24
CCCC(NC(=O)C1=C(Cl)C(Cl)=NS1)C1=NNN=N1	REAL000000004421	1	29	0.0	-10.27	295.54	2.20	-8.07
CCCC(NC(=O)CC1=CC=C2N=CSC2=C1)C1=NN=N[N-]1	REAL000000004422	0	37	-1.0	-49.23	330.12	3.71	-45.53
CCCC(NC(=O)CC1=CC=C2N=CSC2=C1)C1=N[N-]N=N1	REAL000000004422	1	37	-1.0	-49.23	330.07	3.70	-45.53
CCCC(NC(=O)CC1=CC=C2N=CSC2=C1)C1=NNN=N1	REAL000000004422	1	38	0.0	-12.54	326.31	3.38	-9.16
CCCC(NC(=O)CCCS(=O)(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000004423	0	44	-1.0	-55.35	397.86	3.43	-51.92
CCCC(NC(=O)CCCS(=O)(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000004423	1	44	-1.0	-55.34	397.81	3.43	-51.92
CCCC(NC(=O)CCCS(=O)(=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000004423	1	45	0.0	-20.95	401.24	3.44	-17.50
CCCC(NC(=O)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2)C1=NN=N[N-]1	REAL000000004424	0	41	-1.0	-50.97	348.39	6.35	-44.62
CCCC(NC(=O)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2)C1=N[N-]N=N1	REAL000000004424	1	41	-1.0	-50.97	348.33	6.35	-44.62
CCCC(NC(=O)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2)C1=NNN=N1	REAL000000004424	1	42	0.0	-15.69	351.77	6.36	-9.33
CCCC(NC(=O)CCC1=C(C)N2N=C3N=CC=CC3=C2N=C1C)C1=NN=N[N-]1	REAL000000004425	0	51	-1.0	-51.38	418.27	6.49	-44.89
CCCC(NC(=O)CCC1=C(C)N2N=C3N=CC=CC3=C2N=C1C)C1=N[N-]N=N1	REAL000000004425	1	51	-1.0	-51.37	418.22	6.49	-44.88
CCCC(NC(=O)CCC1=C(C)N2N=C3N=CC=CC3=C2N=C1C)C1=NNN=N1	REAL000000004425	1	52	0.0	-20.29	414.46	6.18	-14.12
CCCC(NC(=O)C1=CC=NC(NC)=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000004426	0	38	-1.0	-55.40	332.85	3.49	-51.90
CCCC(NC(=O)C1=CC=NC(NC)=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000004426	1	38	-1.0	-55.40	332.79	3.50	-51.90
CCCC(NC(=O)C1=CC=NC(NC)=C1[N+](=O)[O-])C1=NNN=N1	REAL000000004426	1	39	0.0	-15.52	329.01	3.13	-12.40
CCCC(NC(=O)[C@H](C)OC1=CC=C(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000004427	0	49	-1.0	-50.26	398.67	8.28	-41.98
CCCC(NC(=O)[C@H](C)OC1=CC=C(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000004427	1	49	-1.0	-50.26	398.62	8.28	-41.98
CCCC(NC(=O)[C@H](C)OC1=CC=C(C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000004427	1	50	0.0	-15.15	402.05	8.29	-6.86
CCCC(NC(=O)C1=CC(N(C)C)=C2C=CC=CC2=N1)C1=NN=N[N-]1	REAL000000004428	0	45	-1.0	-48.00	371.92	3.93	-44.07
CCCC(NC(=O)C1=CC(N(C)C)=C2C=CC=CC2=N1)C1=N[N-]N=N1	REAL000000004428	1	45	-1.0	-48.00	371.86	3.93	-44.07
CCCC(NC(=O)C1=CC(N(C)C)=C2C=CC=CC2=N1)C1=NNN=N1	REAL000000004428	1	46	0.0	-8.49	368.12	3.61	-4.88
CCCC(NC(=O)C1=CN(C2CC2)C(C)=CC1=O)C1=NN=N[N-]1	REAL000000004429	0	42	-1.0	-59.11	343.90	4.98	-54.13
CCCC(NC(=O)C1=CN(C2CC2)C(C)=CC1=O)C1=N[N-]N=N1	REAL000000004429	1	42	-1.0	-59.11	343.84	4.98	-54.13
CCCC(NC(=O)C1=CN(C2CC2)C(C)=CC1=O)C1=NNN=N1	REAL000000004429	1	43	0.0	-16.93	347.35	4.99	-11.93
CCCC(NC(=O)C1=C(CC(=O)OC)OC=C1)C1=NN=N[N-]1	REAL000000004430	0	38	-1.0	-48.81	331.56	3.22	-45.60
CCCC(NC(=O)C1=C(CC(=O)OC)OC=C1)C1=N[N-]N=N1	REAL000000004430	1	38	-1.0	-48.80	331.51	3.22	-45.59
CCCC(NC(=O)C1=C(CC(=O)OC)OC=C1)C1=NNN=N1	REAL000000004430	1	39	0.0	-14.35	334.95	3.22	-11.13
CCCC(NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C1=N[N-]N=N1	REAL000000004431	0	43	0.0	-68.52	348.42	4.08	-64.45
CCCC(NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C1=NN=N[N-]1	REAL000000004431	1	43	0.0	-68.52	348.48	4.08	-64.44
CCCC(NC(=O)C1=CN=C(C2CCCC2)N=C1N)C1=NN=N[N-]1	REAL000000004432	0	45	-1.0	-42.43	360.86	3.27	-39.17
CCCC(NC(=O)C1=CN=C(C2CCCC2)N=C1N)C1=N[N-]N=N1	REAL000000004432	1	45	-1.0	-42.43	360.80	3.27	-39.17
CCCC(NC(=O)C1=CN=C(C2CCCC2)N=C1N)C1=NNN=N1	REAL000000004432	1	46	0.0	-7.32	357.06	2.96	-4.37
CCCC(NC(=O)CCC[C@H](O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000004433	0	45	-1.0	-48.78	376.88	3.65	-45.13
CCCC(NC(=O)CCC[C@H](O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000004433	1	45	-1.0	-48.78	376.82	3.64	-45.14
CCCC(NC(=O)CCC[C@H](O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000004433	1	46	0.0	-14.08	380.26	3.66	-10.42
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC(Br)=C1C)C1=NN=N[N-]1	REAL000000004434	0	37	-1.0	-40.13	336.47	5.52	-34.61
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC(Br)=C1C)C1=N[N-]N=N1	REAL000000004434	1	37	-1.0	-40.12	336.41	5.51	-34.61
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC(Br)=C1C)C1=NNN=N1	REAL000000004434	1	38	0.0	-8.79	339.84	5.53	-3.26
CCCC(NC(=O)C1=CC(C)=C(Br)C(Cl)=C1)C1=NN=N[N-]1	REAL000000004435	0	35	-1.0	-41.84	328.60	5.30	-36.54
CCCC(NC(=O)C1=CC(C)=C(Br)C(Cl)=C1)C1=N[N-]N=N1	REAL000000004435	1	35	-1.0	-41.85	328.54	5.29	-36.55
CCCC(NC(=O)C1=CC(C)=C(Br)C(Cl)=C1)C1=NNN=N1	REAL000000004435	1	36	0.0	-8.75	331.98	5.31	-3.44
CCCC(NC(=O)C(CC)CC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000004436	0	47	-1.0	-45.40	395.31	7.16	-38.24
CCCC(NC(=O)C(CC)CC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000004436	1	47	-1.0	-45.40	395.26	7.15	-38.25
CCCC(NC(=O)C(CC)CC1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000004436	1	48	0.0	-7.42	385.83	7.02	-0.40
CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=NN=N[N-]1	REAL000000004437	0	39	-2.0	-117.37	348.96	2.95	-114.41
CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=N[N-]N=N1	REAL000000004437	1	39	-2.0	-117.38	348.90	2.96	-114.42
CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=NNN=N1	REAL000000004437	1	40	-1.0	-55.59	345.15	2.62	-52.96
CCCC(NC(=O)C1=C2N=CC=C(C)C2=CC(C)=C1)C1=NN=N[N-]1	REAL000000004438	0	43	-1.0	-57.38	352.72	5.68	-51.70
CCCC(NC(=O)C1=C2N=CC=C(C)C2=CC(C)=C1)C1=N[N-]N=N1	REAL000000004438	1	43	-1.0	-57.39	352.66	5.67	-51.72
CCCC(NC(=O)C1=C2N=CC=C(C)C2=CC(C)=C1)C1=NNN=N1	REAL000000004438	1	44	0.0	-17.57	356.09	5.69	-11.88
CCCC(NC(=O)C1CCC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000004439	0	41	-1.0	-46.95	337.00	5.21	-41.74
CCCC(NC(=O)C1CCC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000004439	1	41	-1.0	-46.93	336.94	5.20	-41.73
CCCC(NC(=O)C1CCC(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000004439	1	42	0.0	-14.45	339.81	5.17	-9.28
CCCC(NC(=O)C1=CC(Cl)=CC(F)=C1Br)C1=NN=N[N-]1	REAL000000004440	0	32	-1.0	-42.97	313.05	4.84	-38.13
CCCC(NC(=O)C1=CC(Cl)=CC(F)=C1Br)C1=N[N-]N=N1	REAL000000004440	1	32	-1.0	-42.96	312.99	4.84	-38.12
CCCC(NC(=O)C1=CC(Cl)=CC(F)=C1Br)C1=NNN=N1	REAL000000004440	1	33	0.0	-6.81	309.22	4.52	-2.29
CCCC(NC(=O)CCCC1=NC(C)=CS1)C1=NN=N[N-]1	REAL000000004441	0	40	-1.0	-50.44	348.46	3.63	-46.81
CCCC(NC(=O)CCCC1=NC(C)=CS1)C1=N[N-]N=N1	REAL000000004441	1	40	-1.0	-50.43	348.40	3.63	-46.80
CCCC(NC(=O)CCCC1=NC(C)=CS1)C1=NNN=N1	REAL000000004441	1	41	0.0	-11.10	344.65	3.31	-7.79
CCCC(NC(=O)CSC1=NC=CN1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000004442	0	46	-1.0	-49.17	401.06	7.21	-41.95
CCCC(NC(=O)CSC1=NC=CN1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000004442	1	46	-1.0	-49.16	401.01	7.22	-41.95
CCCC(NC(=O)CSC1=NC=CN1CC1=CC=CC=C1)C1=NNN=N1	REAL000000004442	1	47	0.0	-10.89	397.25	6.91	-3.99
CCCC(NC(=O)CN1C=C(C=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000004443	0	41	-1.0	-53.05	354.16	5.51	-47.54
CCCC(NC(=O)CN1C=C(C=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000004443	1	41	-1.0	-53.05	354.10	5.52	-47.54
CCCC(NC(=O)CN1C=C(C=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000004443	1	42	0.0	-20.85	350.34	5.20	-15.66
CCCC(NC(=O)C12C3C(=O)C4C1C1CC4C3C12)C1=NN=N[N-]1	REAL000000004444	0	41	-1.0	-50.17	328.77	4.73	-45.44
CCCC(NC(=O)C12C3C(=O)C4C1C1CC4C3C12)C1=N[N-]N=N1	REAL000000004444	1	41	-1.0	-50.17	328.72	4.73	-45.44
CCCC(NC(=O)C12C3C(=O)C4C1C1CC4C3C12)C1=NNN=N1	REAL000000004444	1	42	0.0	-9.15	325.35	4.43	-4.72
CCCC(NC(=O)C1CCN(CC(F)(F)F)CC1)C1=NN=N[N-]1	REAL000000004445	0	43	-1.0	-45.86	344.58	2.09	-43.77
CCCC(NC(=O)C1CCN(CC(F)(F)F)CC1)C1=N[N-]N=N1	REAL000000004445	1	43	-1.0	-45.85	344.52	2.08	-43.77
CCCC(NC(=O)C1CCN(CC(F)(F)F)CC1)C1=NNN=N1	REAL000000004445	1	44	0.0	-13.38	355.47	2.69	-10.69
CCCC(NC(=O)CC1=CC=CC=C1S(C)(=O)=O)C1=NN=N[N-]1	REAL000000004446	0	41	-1.0	-56.79	347.19	2.13	-54.66
CCCC(NC(=O)CC1=CC=CC=C1S(C)(=O)=O)C1=N[N-]N=N1	REAL000000004446	1	41	-1.0	-56.78	347.13	2.12	-54.66
CCCC(NC(=O)CC1=CC=CC=C1S(C)(=O)=O)C1=NNN=N1	REAL000000004446	1	42	0.0	-21.17	350.44	2.23	-18.94
CCCC(NC(=O)C1=CC(CC2=CC=CC=C2)=NN1)C1=NN=N[N-]1	REAL000000004447	0	42	-1.0	-44.43	359.45	4.46	-39.97
CCCC(NC(=O)C1=CC(CC2=CC=CC=C2)=NN1)C1=N[N-]N=N1	REAL000000004447	1	42	-1.0	-44.43	359.39	4.46	-39.97
CCCC(NC(=O)C1=CC(CC2=CC=CC=C2)=NN1)C1=NNN=N1	REAL000000004447	1	43	0.0	-11.69	362.83	4.47	-7.23
CCCC(NC(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000004448	0	38	-1.0	-55.51	339.36	1.21	-54.30
CCCC(NC(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000004448	1	38	-1.0	-55.50	339.30	1.22	-54.29
CCCC(NC(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C1=NNN=N1	REAL000000004448	1	39	0.0	-16.50	335.54	0.89	-15.60
CCCC(NC(=O)C(CC)N1CCOC(CC)C1)C1=NN=N[N-]1	REAL000000004449	0	50	-1.0	-46.77	379.43	2.41	-44.36
CCCC(NC(=O)C(CC)N1CCOC(CC)C1)C1=N[N-]N=N1	REAL000000004449	1	50	-1.0	-46.77	379.38	2.42	-44.35
CCCC(NC(=O)C(CC)N1CCOC(CC)C1)C1=NNN=N1	REAL000000004449	1	51	0.0	-7.27	373.77	1.72	-5.55
CCCC(NC(=O)CN(CC)CC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL000000004450	0	46	-1.0	-48.28	383.90	4.72	-43.56
CCCC(NC(=O)CN(CC)CC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL000000004450	1	46	-1.0	-48.29	383.84	4.72	-43.56
CCCC(NC(=O)CN(CC)CC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000004450	1	47	0.0	-11.50	383.17	4.56	-6.94
CCCC(NC(=O)CC1=CSC(N2CCOCC2)=N1)C1=NN=N[N-]1	REAL000000004451	0	44	-1.0	-52.19	371.84	1.15	-51.04
CCCC(NC(=O)CC1=CSC(N2CCOCC2)=N1)C1=N[N-]N=N1	REAL000000004451	1	44	-1.0	-52.18	371.78	1.15	-51.03
CCCC(NC(=O)CC1=CSC(N2CCOCC2)=N1)C1=NNN=N1	REAL000000004451	1	45	0.0	-14.14	375.21	1.16	-12.98
CCCCCCCCC(O)CCC(=O)NC(CCC)C1=NN=N[N-]1	REAL000000004452	0	56	-1.0	-44.33	442.03	5.13	-39.21
CCCCCCCCC(O)CCC(=O)NC(CCC)C1=N[N-]N=N1	REAL000000004452	1	56	-1.0	-44.34	441.97	5.13	-39.21
CCCCCCCCC(O)CCC(=O)NC(CCC)C1=NNN=N1	REAL000000004452	1	57	0.0	-9.70	445.41	5.14	-4.56
CCCC(NC(=O)C1=CC2=C(Br)C(F)=CC=C2N1)C1=NN=N[N-]1	REAL000000004453	0	36	-1.0	-46.78	334.88	4.23	-42.55
CCCC(NC(=O)C1=CC2=C(Br)C(F)=CC=C2N1)C1=N[N-]N=N1	REAL000000004453	1	36	-1.0	-46.78	334.82	4.22	-42.56
CCCC(NC(=O)C1=CC2=C(Br)C(F)=CC=C2N1)C1=NNN=N1	REAL000000004453	1	37	0.0	-14.09	338.26	4.24	-9.85
CCCC(NC(=O)C1CC2CCC1N(C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL000000004454	0	56	-1.0	-47.66	421.58	5.55	-42.10
CCCC(NC(=O)C1CC2CCC1N(C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL000000004454	1	56	-1.0	-47.65	421.53	5.54	-42.11
CCCC(NC(=O)C1CC2CCC1N(C(=O)OC(C)(C)C)C2)C1=NNN=N1	REAL000000004454	1	57	0.0	-18.17	425.86	6.25	-11.92
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=N1)C1=NN=N[N-]1	REAL000000004455	0	48	-1.0	-48.17	393.38	2.19	-45.99
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=N1)C1=N[N-]N=N1	REAL000000004455	1	48	-1.0	-48.18	393.32	2.18	-46.00
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=N1)C1=NNN=N1	REAL000000004455	1	49	0.0	-12.32	396.75	2.20	-10.12
CCCC(NC(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=N1)C1=NN=N[N-]1	REAL000000004456	0	42	-1.0	-44.07	376.97	5.28	-38.78
CCCC(NC(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=N1)C1=N[N-]N=N1	REAL000000004456	1	42	-1.0	-44.07	376.92	5.28	-38.78
CCCC(NC(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=N1)C1=NNN=N1	REAL000000004456	1	43	0.0	-7.28	373.21	4.90	-2.38
CCCC(NC(=O)CC1(C)CC1(Cl)Cl)C1=NN=N[N-]1	REAL000000004457	0	35	-1.0	-48.35	318.69	4.34	-44.01
CCCC(NC(=O)CC1(C)CC1(Cl)Cl)C1=N[N-]N=N1	REAL000000004457	1	35	-1.0	-48.34	318.63	4.33	-44.01
CCCC(NC(=O)CC1(C)CC1(Cl)Cl)C1=NNN=N1	REAL000000004457	1	36	0.0	-8.43	315.17	4.01	-4.42
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2OC)C=N1)C1=NN=N[N-]1	REAL000000004458	0	46	-1.0	-47.35	389.57	4.62	-42.73
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2OC)C=N1)C1=N[N-]N=N1	REAL000000004458	1	46	-1.0	-47.35	389.51	4.62	-42.73
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2OC)C=N1)C1=NNN=N1	REAL000000004458	1	47	0.0	-10.15	387.08	4.39	-5.77
CCCC(NC(=O)C1=CC2=CC=NC=C2S1)C1=NN=N[N-]1	REAL000000004459	0	34	-1.0	-44.39	308.22	3.27	-41.12
CCCC(NC(=O)C1=CC2=CC=NC=C2S1)C1=N[N-]N=N1	REAL000000004459	1	34	-1.0	-44.39	308.17	3.28	-41.12
CCCC(NC(=O)C1=CC2=CC=NC=C2S1)C1=NNN=N1	REAL000000004459	1	35	0.0	-10.52	311.60	3.28	-7.24
CCCC(NC(=O)C1=CC=CC(C2=CN=CO2)=C1)C1=NN=N[N-]1	REAL000000004460	0	38	-1.0	-52.96	328.90	2.05	-50.91
CCCC(NC(=O)C1=CC=CC(C2=CN=CO2)=C1)C1=N[N-]N=N1	REAL000000004460	1	38	-1.0	-52.96	328.85	2.05	-50.91
CCCC(NC(=O)C1=CC=CC(C2=CN=CO2)=C1)C1=NNN=N1	REAL000000004460	1	39	0.0	-13.15	325.09	1.72	-11.43
CCCC(NC(=O)C1=CC=C(C2OCCO2)C=C1)C1=NN=N[N-]1	REAL000000004461	0	41	-1.0	-47.83	341.79	3.27	-44.56
CCCC(NC(=O)C1=CC=C(C2OCCO2)C=C1)C1=N[N-]N=N1	REAL000000004461	1	41	-1.0	-47.83	341.73	3.27	-44.56
CCCC(NC(=O)C1=CC=C(C2OCCO2)C=C1)C1=NNN=N1	REAL000000004461	1	42	0.0	-12.00	345.01	3.30	-8.70
CCCC(NC(=O)C1=NC=C2C=CC=CC2=C1O)C1=NN=N[N-]1	REAL000000004462	0	38	-1.0	-51.22	325.68	2.78	-48.44
CCCC(NC(=O)C1=NC=C2C=CC=CC2=C1[O-])C1=NN=N[N-]1	REAL000000004462	1	37	-2.0	-120.59	322.12	3.79	-116.80
CCCC(NC(=O)C1=NC=C2C=CC=CC2=C1O)C1=N[N-]N=N1	REAL000000004462	1	38	-1.0	-51.22	325.62	2.78	-48.44
CCCC(NC(=O)C1=C(C)N(CC2=NN=C(C)O2)N=N1)C1=NN=N[N-]1	REAL000000004463	0	42	-1.0	-52.65	364.92	-2.71	-55.35
CCCC(NC(=O)C1=C(C)N(CC2=NN=C(C)O2)N=N1)C1=N[N-]N=N1	REAL000000004463	1	42	-1.0	-52.65	364.86	-2.72	-55.36
CCCC(NC(=O)C1=C(C)N(CC2=NN=C(C)O2)N=N1)C1=NNN=N1	REAL000000004463	1	43	0.0	-17.05	361.11	-3.03	-20.08
CCCC(NC(=O)C1=CC2=C(S1)N(C)C(=O)N(C)C2=O)C1=NN=N[N-]1	REAL000000004464	0	41	-1.0	-49.56	360.55	3.12	-46.44
CCCC(NC(=O)C1=CC(F)=C(N2CCOCC2)C(F)=C1)C1=NN=N[N-]1	REAL000000004465	0	45	-1.0	-43.52	365.54	2.54	-40.98
CCCC(NC(=O)C1=CC(F)=C(N2CCOCC2)C(F)=C1)C1=N[N-]N=N1	REAL000000004465	1	45	-1.0	-43.52	365.48	2.53	-40.99
CCCC(NC(=O)C1=CC(F)=C(N2CCOCC2)C(F)=C1)C1=NNN=N1	REAL000000004465	1	46	0.0	-10.77	373.77	2.78	-7.99
CCCC(NC(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=N1)C1=NN=N[N-]1	REAL000000004466	0	46	-1.0	-44.95	389.74	4.08	-40.87
CCCC(NC(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=N1)C1=N[N-]N=N1	REAL000000004466	1	46	-1.0	-44.94	389.68	4.07	-40.88
CCCC(NC(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=N1)C1=NNN=N1	REAL000000004466	1	47	0.0	-10.60	393.16	4.03	-6.56
CCCC(NC(=O)C(F)=CC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000004467	0	39	-1.0	-41.13	350.42	5.86	-35.28
CCCC(NC(=O)C(F)=CC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000004467	1	39	-1.0	-41.12	350.37	5.86	-35.26
CCCC(NC(=O)C(F)=CC1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000004467	1	40	0.0	-7.01	346.61	5.54	-1.46
CCCC(NC(=O)C1=NN(C)C(C2=CC=CN=C2)=C1)C1=NN=N[N-]1	REAL000000004468	0	41	-1.0	-51.67	347.89	2.87	-48.80
CCCC(NC(=O)C1=NN(C)C(C2=CC=CN=C2)=C1)C1=N[N-]N=N1	REAL000000004468	1	41	-1.0	-51.67	347.83	2.87	-48.80
CCCC(NC(=O)C1=NN(C)C(C2=CC=CN=C2)=C1)C1=NNN=N1	REAL000000004468	1	42	0.0	-14.72	351.26	2.88	-11.84
CCCC(NC(=O)C1=CC(C)=C(C(N)=O)C=N1)C1=NN=N[N-]1	REAL000000004469	0	38	-1.0	-48.03	322.54	-0.61	-48.64
CCCC(NC(=O)C1=CC(C)=C(C(N)=O)C=N1)C1=N[N-]N=N1	REAL000000004469	1	38	-1.0	-48.03	322.48	-0.61	-48.64
CCCC(NC(=O)C1=CC(C)=C(C(N)=O)C=N1)C1=NNN=N1	REAL000000004469	1	39	0.0	-13.46	325.91	-0.60	-14.06
CCCC(NC(=O)C1=CC2=CC=C(Br)C=C2S1)C1=NN=N[N-]1	REAL000000004470	0	35	-1.0	-43.57	334.74	5.67	-37.91
CCCC(NC(=O)C1=CC2=CC=C(Br)C=C2S1)C1=N[N-]N=N1	REAL000000004470	1	35	-1.0	-43.58	334.68	5.67	-37.91
CCCC(NC(=O)C1=CC2=CC=C(Br)C=C2S1)C1=NNN=N1	REAL000000004470	1	36	0.0	-9.05	338.12	5.67	-3.37
CCCC(NC(=O)C1=CC=C(OC2=CC=CC(OC)=C2)C=N1)C1=NN=N[N-]1	REAL000000004471	0	46	-1.0	-44.87	391.44	4.15	-40.72
CCCC(NC(=O)C1=CC=C(OC2=CC=CC(OC)=C2)C=N1)C1=N[N-]N=N1	REAL000000004471	1	46	-1.0	-44.87	391.39	4.15	-40.72
CCCC(NC(=O)C1=CC=C(OC2=CC=CC(OC)=C2)C=N1)C1=NNN=N1	REAL000000004471	1	47	0.0	-8.82	387.65	3.84	-4.98
CCCC(NC(=O)C1=CC=CC2=C1OC(C)C2)C1=NN=N[N-]1	REAL000000004472	0	40	-1.0	-54.75	330.46	5.19	-49.56
CCCC(NC(=O)C1=CC=CC2=C1OC(C)C2)C1=N[N-]N=N1	REAL000000004472	1	40	-1.0	-54.75	330.41	5.18	-49.57
CCCC(NC(=O)C1=CC=CC2=C1OC(C)C2)C1=NNN=N1	REAL000000004472	1	41	0.0	-15.73	333.75	5.20	-10.53
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000004473	0	48	-1.0	-53.36	398.43	7.72	-45.65
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000004473	1	48	-1.0	-53.36	398.38	7.72	-45.64
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1C1=CC=CC=C1)C1=NNN=N1	REAL000000004473	1	49	0.0	-19.45	402.09	7.73	-11.71
CCCC(NC(=O)C1=CC2=CC=CN=C2S1)C1=NN=N[N-]1	REAL000000004474	0	34	-1.0	-47.48	308.23	3.16	-44.32
CCCC(NC(=O)C1=CC2=CC=CN=C2S1)C1=N[N-]N=N1	REAL000000004474	1	34	-1.0	-47.49	308.17	3.15	-44.33
CCCC(NC(=O)C1=CC2=CC=CN=C2S1)C1=NNN=N1	REAL000000004474	1	35	0.0	-12.10	311.61	3.17	-8.92
CCCC(NC(=O)COC1=CC=C(C#N)C(Br)=C1)C1=NN=N[N-]1	REAL000000004475	0	37	-1.0	-47.61	348.40	5.12	-42.50
CCCC(NC(=O)COC1=CC=C(C#N)C(Br)=C1)C1=N[N-]N=N1	REAL000000004475	1	37	-1.0	-47.61	348.34	5.12	-42.49
CCCC(NC(=O)COC1=CC=C(C#N)C(Br)=C1)C1=NNN=N1	REAL000000004475	1	38	0.0	-15.69	351.76	5.13	-10.56
CCCC(NC(=O)CC1=CC(Br)=CC=C1C)C1=NN=N[N-]1	REAL000000004476	0	38	-1.0	-46.76	337.04	5.42	-41.34
CCCC(NC(=O)CC1=CC(Br)=CC=C1C)C1=N[N-]N=N1	REAL000000004476	1	38	-1.0	-46.75	336.99	5.42	-41.33
CCCC(NC(=O)CC1=CC(Br)=CC=C1C)C1=NNN=N1	REAL000000004476	1	39	0.0	-11.09	340.42	5.43	-5.67
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(N2C=CN=C2)=C1)C1=NN=N[N-]1	REAL000000004477	0	41	-1.0	-46.82	356.97	6.92	-39.90
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(N2C=CN=C2)=C1)C1=N[N-]N=N1	REAL000000004477	1	41	-1.0	-46.81	356.91	6.92	-39.90
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(N2C=CN=C2)=C1)C1=NNN=N1	REAL000000004477	1	42	0.0	-17.94	360.33	6.93	-11.01
CCCC(NC(=O)CN1C(=O)C(F)(F)C2=CC([N+](=O)[O-])=CC=C21)C1=NN=N[N-]1	REAL000000004478	0	42	-1.0	-56.62	382.16	5.36	-51.26
CCCC(NC(=O)CN1C(=O)C(F)(F)C2=CC([N+](=O)[O-])=CC=C21)C1=N[N-]N=N1	REAL000000004478	1	42	-1.0	-56.61	382.10	5.36	-51.25
CCCC(NC(=O)CN1C(=O)C(F)(F)C2=CC([N+](=O)[O-])=CC=C21)C1=NNN=N1	REAL000000004478	1	43	0.0	-19.10	385.54	5.37	-13.73
CCCC(NC(=O)C1=C(C)N(C2=CN(C)N=C2)N=N1)C1=NN=N[N-]1	REAL000000004479	0	41	-1.0	-47.39	349.58	1.53	-45.85
CCCC(NC(=O)C1=C(C)N(C2=CN(C)N=C2)N=N1)C1=N[N-]N=N1	REAL000000004479	1	41	-1.0	-47.39	349.52	1.53	-45.86
CCCC(NC(=O)C1=C(C)N(C2=CN(C)N=C2)N=N1)C1=NNN=N1	REAL000000004479	1	42	0.0	-11.59	347.83	1.27	-10.31
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL000000004480	0	39	-1.0	-48.22	341.14	6.09	-42.13
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL000000004480	1	39	-1.0	-48.21	341.09	6.09	-42.13
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Cl)C1=NNN=N1	REAL000000004480	1	40	0.0	-9.59	337.37	5.78	-3.81
CCCC(NC(=O)CC1=CC=C(C)C=C1Br)C1=NN=N[N-]1	REAL000000004481	0	38	-1.0	-48.06	338.60	5.51	-42.55
CCCC(NC(=O)CC1=CC=C(C)C=C1Br)C1=N[N-]N=N1	REAL000000004481	1	38	-1.0	-48.04	338.55	5.50	-42.55
CCCC(NC(=O)CC1=CC=C(C)C=C1Br)C1=NNN=N1	REAL000000004481	1	39	0.0	-11.61	341.98	5.51	-6.09
CCCC(NC(=O)CC1=CC2=CC=CC=C2C(=O)N1)C1=NN=N[N-]1	REAL000000004482	0	41	-1.0	-55.55	349.99	3.40	-52.15
CCCC(NC(=O)CC1=CC2=CC=CC=C2C(=O)N1)C1=N[N-]N=N1	REAL000000004482	1	41	-1.0	-55.55	349.94	3.40	-52.15
CCCC(NC(=O)CC1=CC2=CC=CC=C2C(=O)N1)C1=NNN=N1	REAL000000004482	1	42	0.0	-20.50	353.37	3.41	-17.08
CCCC(NC(=O)C1=CC=C(C(C)(F)F)C=C1)C1=NN=N[N-]1	REAL000000004483	0	38	-1.0	-45.92	327.51	5.18	-40.75
CCCC(NC(=O)C1=CC=C(C(C)(F)F)C=C1)C1=N[N-]N=N1	REAL000000004483	1	38	-1.0	-45.92	327.46	5.18	-40.74
CCCC(NC(=O)C1=CC=C(C(C)(F)F)C=C1)C1=NNN=N1	REAL000000004483	1	39	0.0	-11.39	330.90	5.19	-6.20
CCCC(NC(=O)CC1COC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL000000004484	0	41	-1.0	-54.63	342.19	4.24	-50.39
CCCC(NC(=O)CC1COC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL000000004484	1	41	-1.0	-54.64	342.13	4.24	-50.39
CCCC(NC(=O)CC1COC2=CC=CC=C2O1)C1=NNN=N1	REAL000000004484	1	42	0.0	-16.04	345.56	4.25	-11.78
CCCC(NC(=O)C1=CC=NC(OC(F)F)=C1)C1=NN=N[N-]1	REAL000000004485	0	35	-1.0	-48.29	312.84	1.06	-47.23
CCCC(NC(=O)C1=CC=NC(OC(F)F)=C1)C1=N[N-]N=N1	REAL000000004485	1	35	-1.0	-48.28	312.78	1.07	-47.22
CCCC(NC(=O)C1=CC=NC(OC(F)F)=C1)C1=NNN=N1	REAL000000004485	1	36	0.0	-11.91	309.01	0.75	-11.16
CCCC(NC(=O)CC1=CC=C(OC)C(OC)=C1Cl)C1=NN=N[N-]1	REAL000000004486	0	43	-1.0	-46.35	375.19	4.10	-42.25
CCCC(NC(=O)CC1=CC=C(OC)C(OC)=C1Cl)C1=N[N-]N=N1	REAL000000004486	1	43	-1.0	-46.35	375.13	4.09	-42.26
CCCC(NC(=O)CC1=CC=C(OC)C(OC)=C1Cl)C1=NNN=N1	REAL000000004486	1	44	0.0	-13.96	378.56	4.11	-9.85
CCCC(NC(=O)C1=CN2N=CC=C2N=C1C)C1=NN=N[N-]1	REAL000000004487	0	37	-1.0	-44.61	313.22	3.20	-41.41
CCCC(NC(=O)C1=CN2N=CC=C2N=C1C)C1=N[N-]N=N1	REAL000000004487	1	37	-1.0	-44.61	313.16	3.21	-41.40
CCCC(NC(=O)C1=CN2N=CC=C2N=C1C)C1=NNN=N1	REAL000000004487	1	38	0.0	-12.36	316.49	3.21	-9.15
CCCC(NC(=O)C1CC1C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL000000004488	0	39	-1.0	-50.63	341.14	6.09	-44.55
CCCC(NC(=O)C1CC1C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL000000004488	1	39	-1.0	-50.63	341.08	6.09	-44.54
CCCC(NC(=O)C1CC1C1=CC=CC=C1Cl)C1=NNN=N1	REAL000000004488	1	40	0.0	-9.59	337.33	5.77	-3.81
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC12CC2)C1=NN=N[N-]1	REAL000000004489	0	53	-1.0	-46.57	419.00	5.05	-41.52
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC12CC2)C1=N[N-]N=N1	REAL000000004489	1	53	-1.0	-46.57	418.94	5.04	-41.53
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC12CC2)C1=NNN=N1	REAL000000004489	1	54	0.0	-14.85	422.38	5.05	-9.80
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1Br)C1=NN=N[N-]1	REAL000000004490	0	35	-1.0	-44.00	323.92	4.79	-39.21
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1Br)C1=N[N-]N=N1	REAL000000004490	1	35	-1.0	-44.00	323.87	4.78	-39.22
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1Br)C1=NNN=N1	REAL000000004490	1	36	0.0	-9.57	327.30	4.80	-4.77
CCCC(NC(=O)C1=CC=C(S(=O)(=O)C2CC2)C=C1)C1=NN=N[N-]1	REAL000000004491	0	42	-1.0	-51.41	365.91	2.94	-48.47
CCCC(NC(=O)C1=CC=C(S(=O)(=O)C2CC2)C=C1)C1=N[N-]N=N1	REAL000000004491	1	42	-1.0	-51.41	365.85	2.94	-48.47
CCCC(NC(=O)C1=CC=C(S(=O)(=O)C2CC2)C=C1)C1=NNN=N1	REAL000000004491	1	43	0.0	-16.20	369.29	2.95	-13.25
CCCC(NC(=O)COC1=C(Cl)C=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL000000004492	0	36	-1.0	-46.45	360.63	5.93	-40.52
CCCC(NC(=O)COC1=C(Cl)C=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL000000004492	1	36	-1.0	-46.45	360.57	5.93	-40.52
CCCC(NC(=O)COC1=C(Cl)C=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000004492	1	37	0.0	-11.47	364.00	5.94	-5.53
CCCC(NC(=O)C1=C(Br)SC=C1)C1=NN=N[N-]1	REAL000000004493	0	29	-1.0	-46.48	283.32	3.27	-43.21
CCCC(NC(=O)C1=C(Br)SC=C1)C1=N[N-]N=N1	REAL000000004493	1	29	-1.0	-46.48	283.27	3.28	-43.20
CCCC(NC(=O)C1=C(Br)SC=C1)C1=NNN=N1	REAL000000004493	1	30	0.0	-11.19	286.70	3.28	-7.91
CCCC(NC(=O)C1=CC=C2OC(F)(F)OC2=C1C)C1=NN=N[N-]1	REAL000000004494	0	38	-1.0	-44.11	329.74	3.45	-40.67
CCCC(NC(=O)C1=CC=C2OC(F)(F)OC2=C1C)C1=N[N-]N=N1	REAL000000004494	1	38	-1.0	-44.10	329.68	3.45	-40.66
CCCC(NC(=O)C1=CC=C2OC(F)(F)OC2=C1C)C1=NNN=N1	REAL000000004494	1	39	0.0	-8.63	325.92	3.12	-5.51
CCCC(NC(=O)CC1=CC=C(Cl)C(OC)=C1)C1=NN=N[N-]1	REAL000000004495	0	39	-1.0	-47.04	344.51	4.19	-42.85
CCCC(NC(=O)CC1=CC=C(Cl)C(OC)=C1)C1=N[N-]N=N1	REAL000000004495	1	39	-1.0	-47.03	344.46	4.18	-42.85
CCCC(NC(=O)CC1=CC=C(Cl)C(OC)=C1)C1=NNN=N1	REAL000000004495	1	40	0.0	-13.98	347.89	4.19	-9.79
CCCC(NC(=O)C(O)C1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL000000004496	0	36	-1.0	-46.85	338.49	3.36	-43.49
CCCC(NC(=O)C(O)C1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL000000004496	1	36	-1.0	-46.84	338.43	3.36	-43.48
CCCC(NC(=O)C(O)C1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000004496	1	37	0.0	-9.75	334.71	2.95	-6.80
CCCC(NC(=O)C1=CC(C(F)(F)F)=NN1C)C1=NN=N[N-]1	REAL000000004497	0	35	-1.0	-41.26	316.28	2.37	-38.89
CCCC(NC(=O)C1=CC(C(F)(F)F)=NN1C)C1=N[N-]N=N1	REAL000000004497	1	35	-1.0	-41.25	316.22	2.36	-38.89
CCCC(NC(=O)C1=CC(C(F)(F)F)=NN1C)C1=NNN=N1	REAL000000004497	1	36	0.0	-10.38	319.49	2.38	-8.00
CCCC(NC(=O)CC1=CC(F)=C(C)C=C1F)C1=NN=N[N-]1	REAL000000004498	0	38	-1.0	-48.15	331.11	5.08	-43.07
CCCC(NC(=O)CC1=CC(F)=C(C)C=C1F)C1=N[N-]N=N1	REAL000000004498	1	38	-1.0	-48.15	331.06	5.07	-43.08
CCCC(NC(=O)CC1=CC(F)=C(C)C=C1F)C1=NNN=N1	REAL000000004498	1	39	0.0	-12.45	334.49	5.09	-7.37
CCCC(NC(=O)C1CCCC2=C1N=C(NC1=CC=CC=C1)S2)C1=NN=N[N-]1	REAL000000004499	0	50	-1.0	-50.88	412.47	7.07	-43.81
CCCC(NC(=O)C1CCCC2=C1N=C(NC1=CC=CC=C1)S2)C1=N[N-]N=N1	REAL000000004499	1	50	-1.0	-50.87	412.41	7.06	-43.81
CCCC(NC(=O)C1CCCC2=C1N=C(NC1=CC=CC=C1)S2)C1=NNN=N1	REAL000000004499	1	51	0.0	-8.93	408.66	6.74	-2.19
CCCC(NC(=O)C1=CC=C(C(F)(F)F)N1)C1=NN=N[N-]1	REAL000000004500	0	33	-1.0	-42.40	302.58	2.38	-40.02
CCCC(NC(=O)C1=CC=C(C(F)(F)F)N1)C1=N[N-]N=N1	REAL000000004500	1	33	-1.0	-42.40	302.52	2.38	-40.02
CCCC(NC(=O)C1=CC=C(C(F)(F)F)N1)C1=NNN=N1	REAL000000004500	1	34	0.0	-9.50	305.95	2.39	-7.12
CCCC(NC(=O)C1=CC=C(NC(=O)C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL000000004501	0	47	-1.0	-52.40	385.56	4.27	-48.13
CCCC(NC(=O)C1=CC=C(NC(=O)C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL000000004501	1	47	-1.0	-52.41	385.50	4.27	-48.14
CCCC(NC(=O)C1=CC=C(NC(=O)C(C)(C)C)N=C1)C1=NNN=N1	REAL000000004501	1	48	0.0	-16.77	388.93	4.28	-12.50
CCCC(NC(=O)C1=CC(Br)=C(C)C=C1C)C1=NN=N[N-]1	REAL000000004502	0	38	-1.0	-43.83	329.89	5.52	-38.31
CCCC(NC(=O)C1=CC(Br)=C(C)C=C1C)C1=N[N-]N=N1	REAL000000004502	1	38	-1.0	-43.83	329.83	5.52	-38.30
CCCC(NC(=O)C1=CC(Br)=C(C)C=C1C)C1=NNN=N1	REAL000000004502	1	39	0.0	-8.55	333.27	5.53	-3.02
CCCC(NC(=O)C1=CC=C(C)C(Cl)=C1Cl)C1=NN=N[N-]1	REAL000000004503	0	35	-1.0	-48.06	320.74	5.23	-42.83
CCCC(NC(=O)C1=CC=C(C)C(Cl)=C1Cl)C1=N[N-]N=N1	REAL000000004503	1	35	-1.0	-48.05	320.68	5.22	-42.84
CCCC(NC(=O)C1=CC=C(C)C(Cl)=C1Cl)C1=NNN=N1	REAL000000004503	1	36	0.0	-13.19	324.12	5.24	-7.95
CCCC(NC(=O)C1=CSC(I)=N1)C1=NN=N[N-]1	REAL000000004504	0	28	-1.0	-43.90	289.88	1.66	-42.24
CCCC(NC(=O)C1=CSC(I)=N1)C1=N[N-]N=N1	REAL000000004504	1	28	-1.0	-43.90	289.82	1.65	-42.25
CCCC(NC(=O)C1=CSC(I)=N1)C1=NNN=N1	REAL000000004504	1	29	0.0	-8.55	293.25	1.67	-6.88
CCCC(NC(=O)C1=CSC(NC2=CC(F)=CC(F)=C2)=N1)C1=NN=N[N-]1	REAL000000004505	0	40	-1.0	-45.14	366.04	4.27	-40.87
CCCC(NC(=O)C1=CSC(NC2=CC(F)=CC(F)=C2)=N1)C1=N[N-]N=N1	REAL000000004505	1	40	-1.0	-45.14	365.98	4.26	-40.88
CCCC(NC(=O)C1=CSC(NC2=CC(F)=CC(F)=C2)=N1)C1=NNN=N1	REAL000000004505	1	41	0.0	-9.79	369.43	4.28	-5.51
CCCC(NC(=O)C(CC(C)(C)C)N(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000004506	0	60	-1.0	-44.02	441.82	6.86	-37.16
CCCC(NC(=O)C(CC(C)(C)C)N(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000004506	1	60	-1.0	-44.02	441.76	6.85	-37.17
CCCC(NC(=O)C(CC(C)(C)C)N(C)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004506	1	61	0.0	-8.84	438.15	6.54	-2.30
CCCC(NC(=O)CNC(=O)NC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000004507	0	41	-1.0	-45.73	364.54	1.93	-43.80
CCCC(NC(=O)CNC(=O)NC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000004507	1	41	-1.0	-45.73	364.48	1.93	-43.80
CCCC(NC(=O)CNC(=O)NC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000004507	1	42	0.0	-12.06	360.75	1.61	-10.44
CCCC(NC(=O)C1=C(CC)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL000000004508	0	41	-1.0	-46.47	344.84	5.49	-40.98
CCCC(NC(=O)C1=C(CC)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL000000004508	1	41	-1.0	-46.47	344.78	5.48	-40.99
CCCC(NC(=O)C1=C(CC)C2=CC=CC=C2O1)C1=NNN=N1	REAL000000004508	1	42	0.0	-10.09	348.21	5.50	-4.59
CCCC(NC(=O)C1CC(=O)N(C2=CN(CCOC)N=C2)C1)C1=NN=N[N-]1	REAL000000004509	0	50	-1.0	-48.92	415.10	2.36	-46.56
CCCC(NC(=O)C1CC(=O)N(C2=CN(CCOC)N=C2)C1)C1=N[N-]N=N1	REAL000000004509	1	50	-1.0	-48.91	415.04	2.35	-46.56
CCCC(NC(=O)C1CC(=O)N(C2=CN(CCOC)N=C2)C1)C1=NNN=N1	REAL000000004509	1	51	0.0	-13.77	411.29	2.04	-11.73
CCCC(NC(=O)C(C)OCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000004510	0	45	-1.0	-48.71	374.73	6.18	-42.54
CCCC(NC(=O)C(C)OCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000004510	1	45	-1.0	-48.71	374.67	6.18	-42.54
CCCC(NC(=O)C(C)OCCC1=CC=CC=C1)C1=NNN=N1	REAL000000004510	1	46	0.0	-13.06	378.11	6.18	-6.88
C=CCOC1=CC=C(CC(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000004511	0	43	-1.0	-48.15	363.24	5.13	-43.02
C=CCOC1=CC=C(CC(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000004511	1	43	-1.0	-48.14	363.18	5.12	-43.02
C=CCOC1=CC=C(CC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000004511	1	44	0.0	-12.99	366.62	5.14	-7.85
CCCC(NC(=O)C1=CC(Cl)=NC(OC(F)F)=C1)C1=NN=N[N-]1	REAL000000004512	0	35	-1.0	-44.60	329.71	1.49	-43.11
CCCC(NC(=O)C1=CC(Cl)=NC(OC(F)F)=C1)C1=N[N-]N=N1	REAL000000004512	1	35	-1.0	-44.59	329.65	1.49	-43.10
CCCC(NC(=O)C1=CC(Cl)=NC(OC(F)F)=C1)C1=NNN=N1	REAL000000004512	1	36	0.0	-13.16	333.08	1.49	-11.67
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(C#N)C(Cl)=C2)C1)C1=NN=N[N-]1	REAL000000004513	0	44	-1.0	-45.80	389.79	5.42	-40.37
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(C#N)C(Cl)=C2)C1)C1=N[N-]N=N1	REAL000000004513	1	44	-1.0	-45.79	389.74	5.43	-40.37
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(C#N)C(Cl)=C2)C1)C1=NNN=N1	REAL000000004513	1	45	0.0	-18.20	392.67	5.43	-12.78
CCCC(NC(=O)C1=CC=C(OC)C(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000004514	0	42	-1.0	-59.27	361.52	1.04	-58.23
CCCC(NC(=O)C1=CC=C(OC)C(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000004514	1	42	-1.0	-59.27	361.46	1.03	-58.24
CCCC(NC(=O)C1=CC=C(OC)C(S(C)(=O)=O)=C1)C1=NNN=N1	REAL000000004514	1	43	0.0	-22.63	364.90	1.05	-21.58
CCCC(NC(=O)C(CC1=CC=CC=C1)OC)C1=NN=N[N-]1	REAL000000004515	0	42	-1.0	-47.24	344.33	4.89	-42.34
CCCC(NC(=O)C(CC1=CC=CC=C1)OC)C1=N[N-]N=N1	REAL000000004515	1	42	-1.0	-47.23	344.27	4.88	-42.35
CCCC(NC(=O)C(CC1=CC=CC=C1)OC)C1=NNN=N1	REAL000000004515	1	43	0.0	-12.65	347.71	4.90	-7.75
CCCC(NC(=O)C1=CC=C2OC(F)(F)OC2=C1)C1=NN=N[N-]1	REAL000000004516	0	35	-1.0	-45.06	313.92	2.76	-42.30
CCCC(NC(=O)C1=CC=C2OC(F)(F)OC2=C1)C1=N[N-]N=N1	REAL000000004516	1	35	-1.0	-45.06	313.86	2.75	-42.30
CCCC(NC(=O)C1=CC=C2OC(F)(F)OC2=C1)C1=NNN=N1	REAL000000004516	1	36	0.0	-13.13	317.29	2.77	-10.36
CCCOC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C(OC)=C1	REAL000000004517	0	46	-1.0	-50.66	374.40	5.28	-45.38
CCCOC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C(OC)=C1	REAL000000004517	1	46	-1.0	-50.66	374.34	5.27	-45.39
CCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C(OC)=C1	REAL000000004517	1	47	0.0	-14.03	377.78	5.29	-8.74
CCCC(NC(=O)C1=CC=C(C(=O)NCC2=CC=CC(C)=C2)C=C1)C1=NN=N[N-]1	REAL000000004518	0	52	-1.0	-49.50	433.57	6.44	-43.06
CCCC(NC(=O)C1=CC=C(C(=O)NCC2=CC=CC(C)=C2)C=C1)C1=N[N-]N=N1	REAL000000004518	1	52	-1.0	-49.50	433.51	6.43	-43.07
CCCC(NC(=O)C1=CC=C(C(=O)NCC2=CC=CC(C)=C2)C=C1)C1=NNN=N1	REAL000000004518	1	53	0.0	-16.07	436.95	6.45	-9.62
CCCC(NC(=O)C1=CC(C(=O)OCC)=C(C)N1)C1=NN=N[N-]1	REAL000000004519	0	42	-1.0	-47.53	357.87	3.54	-43.99
CCCC(NC(=O)C1=CC(C(=O)OCC)=C(C)N1)C1=N[N-]N=N1	REAL000000004519	1	42	-1.0	-47.52	357.82	3.53	-43.99
CCCC(NC(=O)C1=CC(C(=O)OCC)=C(C)N1)C1=NNN=N1	REAL000000004519	1	43	0.0	-11.09	354.06	3.22	-7.87
CCCC(NC(=O)C[C@@H](CNC(C)=O)CC(C)C)C1=NN=N[N-]1	REAL000000004520	0	50	-1.0	-51.36	392.69	3.09	-48.27
CCCC(NC(=O)C[C@@H](CNC(C)=O)CC(C)C)C1=N[N-]N=N1	REAL000000004520	1	50	-1.0	-51.36	392.63	3.08	-48.28
CCCC(NC(=O)C[C@@H](CNC(C)=O)CC(C)C)C1=NNN=N1	REAL000000004520	1	51	0.0	-13.57	387.37	3.74	-9.83
CCCC(NC(=O)C1CCC1C1=CC=C(Cl)C=C1F)C1=NN=N[N-]1	REAL000000004521	0	42	-1.0	-52.13	364.44	6.64	-45.49
CCCC(NC(=O)C1CCC1C1=CC=C(Cl)C=C1F)C1=N[N-]N=N1	REAL000000004521	1	42	-1.0	-52.13	364.38	6.64	-45.49
CCCC(NC(=O)C1CCC1C1=CC=C(Cl)C=C1F)C1=NNN=N1	REAL000000004521	1	43	0.0	-8.75	362.82	6.50	-2.24
CCCC(NC(=O)C1=C(C)N=C(COCC)S1)C1=NN=N[N-]1	REAL000000004522	0	41	-1.0	-44.93	355.99	2.15	-42.78
CCCC(NC(=O)C1=C(C)N=C(COCC)S1)C1=N[N-]N=N1	REAL000000004522	1	41	-1.0	-44.93	355.93	2.15	-42.78
CCCC(NC(=O)C1=C(C)N=C(COCC)S1)C1=NNN=N1	REAL000000004522	1	42	0.0	-8.69	352.19	1.83	-6.86
CCCC(NC(=O)C1=COC2=C1C(=O)CCC2)C1=NN=N[N-]1	REAL000000004523	0	38	-1.0	-63.01	319.68	4.80	-58.21
CCCC(NC(=O)C1=COC2=C1C(=O)CCC2)C1=N[N-]N=N1	REAL000000004523	1	38	-1.0	-63.01	319.62	4.80	-58.22
CCCC(NC(=O)C1=COC2=C1C(=O)CCC2)C1=NNN=N1	REAL000000004523	1	39	0.0	-22.56	323.04	4.81	-17.75
CCCC(NC(=O)CC1=NC(C2=CC=CC=C2)=CS1)C1=NN=N[N-]1	REAL000000004524	0	41	-1.0	-48.68	362.08	5.06	-43.61
CCCC(NC(=O)CC1=NC(C2=CC=CC=C2)=CS1)C1=N[N-]N=N1	REAL000000004524	1	41	-1.0	-48.67	362.02	5.07	-43.61
CCCC(NC(=O)CC1=NC(C2=CC=CC=C2)=CS1)C1=NNN=N1	REAL000000004524	1	42	0.0	-14.68	365.46	5.08	-9.60
CC=CCOC1=CC=CC(CC(=O)NC(CCC)C2=NN=N[N-]2)=C1	REAL000000004525	0	46	-1.0	-47.49	384.95	6.00	-41.49
CC=CCOC1=CC=CC(CC(=O)NC(CCC)C2=N[N-]N=N2)=C1	REAL000000004525	1	46	-1.0	-47.48	384.89	5.99	-41.49
CC=CCOC1=CC=CC(CC(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000004525	1	47	0.0	-12.89	388.33	6.01	-6.88
CCCC(NC(=O)C1=C(Cl)N=C(N(C)C)S1)C1=NN=N[N-]1	REAL000000004526	0	36	-1.0	-49.32	330.86	2.97	-46.34
CCCC(NC(=O)C1=C(Cl)N=C(N(C)C)S1)C1=N[N-]N=N1	REAL000000004526	1	36	-1.0	-49.32	330.80	2.96	-46.36
CCCC(NC(=O)C1=C(Cl)N=C(N(C)C)S1)C1=NNN=N1	REAL000000004526	1	37	0.0	-10.66	327.97	2.67	-7.99
CCCC(NC(=O)C1=CC=C(C(=O)OCC2=CC=CC=C2)N1)C1=NN=N[N-]1	REAL000000004527	0	46	-1.0	-44.67	400.22	5.95	-38.73
CCCC(NC(=O)C1=CC=C(C(=O)OCC2=CC=CC=C2)N1)C1=N[N-]N=N1	REAL000000004527	1	46	-1.0	-44.67	400.16	5.95	-38.72
CCCC(NC(=O)C1=CC=C(C(=O)OCC2=CC=CC=C2)N1)C1=NNN=N1	REAL000000004527	1	47	0.0	-12.01	403.60	5.96	-6.05
CCCC(NC(=O)C1=NN(CCC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000004528	0	45	-1.0	-50.13	382.69	6.07	-44.06
CCCC(NC(=O)C1=NN(CCC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000004528	1	45	-1.0	-50.13	382.64	6.07	-44.06
CCCC(NC(=O)C1=NN(CCC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000004528	1	46	0.0	-12.71	386.07	6.08	-6.63
CCCC(NC(=O)C1CCN(C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000004529	0	44	-1.0	-47.14	353.04	3.98	-43.16
CCCC(NC(=O)C1CCN(C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000004529	1	44	-1.0	-47.14	352.98	3.98	-43.16
CCCC(NC(=O)C1CCN(C2=CC=CC=C2)C1)C1=NNN=N1	REAL000000004529	1	45	0.0	-11.72	353.87	3.86	-7.85
CCCC(NC(=O)C1=CC(C2=CC=C([N+](=O)[O-])C=C2)=NN1)C1=NN=N[N-]1	REAL000000004530	0	41	-1.0	-44.77	363.98	4.35	-40.42
CCCC(NC(=O)C1=CC(C2=CC=C([N+](=O)[O-])C=C2)=NN1)C1=N[N-]N=N1	REAL000000004530	1	41	-1.0	-44.76	363.93	4.34	-40.42
CCCC(NC(=O)C1=CC(C2=CC=C([N+](=O)[O-])C=C2)=NN1)C1=NNN=N1	REAL000000004530	1	42	0.0	-14.57	367.36	4.35	-10.22
CCCC(NC(=O)C1=CC=C(N2N=NN=C2C)C=C1F)C1=NN=N[N-]1	REAL000000004531	0	40	-1.0	-49.04	346.19	3.76	-45.29
CCCC(NC(=O)C1=CC=C(N2N=NN=C2C)C=C1F)C1=N[N-]N=N1	REAL000000004531	1	40	-1.0	-49.03	346.14	3.76	-45.28
CCCC(NC(=O)C1=CC=C(N2N=NN=C2C)C=C1F)C1=NNN=N1	REAL000000004531	1	41	0.0	-17.39	349.57	3.77	-13.63
CCCC(NC(=O)CC1=C(C2=CC=CC=C2)N=CS1)C1=NN=N[N-]1	REAL000000004532	0	41	-1.0	-47.77	354.95	4.72	-43.05
CCCC(NC(=O)CC1=C(C2=CC=CC=C2)N=CS1)C1=N[N-]N=N1	REAL000000004532	1	41	-1.0	-47.76	354.89	4.72	-43.04
CCCC(NC(=O)CC1=C(C2=CC=CC=C2)N=CS1)C1=NNN=N1	REAL000000004532	1	42	0.0	-13.96	358.33	4.73	-9.23
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)CC2CC2)C=C1)C1=NN=N[N-]1	REAL000000004533	0	48	-1.0	-55.81	412.72	4.32	-51.49
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)CC2CC2)C=C1)C1=N[N-]N=N1	REAL000000004533	1	48	-1.0	-55.80	412.67	4.32	-51.48
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)CC2CC2)C=C1)C1=NNN=N1	REAL000000004533	1	49	0.0	-20.79	416.10	4.33	-16.46
CCCC(NC(=O)C1=CC=NN1CC(F)(F)F)C1=NN=N[N-]1	REAL000000004534	0	35	-1.0	-43.18	314.43	2.69	-40.49
CCCC(NC(=O)C1=CC=NN1CC(F)(F)F)C1=N[N-]N=N1	REAL000000004534	1	35	-1.0	-43.18	314.37	2.68	-40.50
CCCC(NC(=O)C1=CC=NN1CC(F)(F)F)C1=NNN=N1	REAL000000004534	1	36	0.0	-12.56	317.95	2.69	-9.87
CCCC(NC(=O)C1=CC(Cl)=C(Br)C=C1F)C1=NN=N[N-]1	REAL000000004535	0	32	-1.0	-43.94	314.98	4.80	-39.14
CCCC(NC(=O)C1=CC(Cl)=C(Br)C=C1F)C1=N[N-]N=N1	REAL000000004535	1	32	-1.0	-43.94	314.92	4.80	-39.14
CCCC(NC(=O)C1=CC(Cl)=C(Br)C=C1F)C1=NNN=N1	REAL000000004535	1	33	0.0	-10.40	318.36	4.81	-5.59
CCCC(NC(=O)CC1=CC=C(C(=O)OC)C=C1)C1=NN=N[N-]1	REAL000000004536	0	41	-1.0	-49.70	353.79	4.97	-44.73
CCCC(NC(=O)CC1=CC=C(C(=O)OC)C=C1)C1=N[N-]N=N1	REAL000000004536	1	41	-1.0	-49.70	353.73	4.96	-44.74
CCCC(NC(=O)CC1=CC=C(C(=O)OC)C=C1)C1=NNN=N1	REAL000000004536	1	42	0.0	-12.87	349.97	4.65	-8.22
CCCC(NC(=O)CC1=CC=C(O)C(OC)=C1)C1=NN=N[N-]1	REAL000000004537	0	40	-1.0	-49.61	339.24	1.47	-48.13
CCCC(NC(=O)CC1=CC=C(O)C(OC)=C1)C1=N[N-]N=N1	REAL000000004537	1	40	-1.0	-49.60	339.18	1.46	-48.14
CCCC(NC(=O)CC1=CC=C(O)C(OC)=C1)C1=NNN=N1	REAL000000004537	1	41	0.0	-15.70	342.62	1.48	-14.22
CCCC(NC(=O)C(C)OCC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000004538	0	42	-1.0	-49.47	359.65	5.47	-43.99
CCCC(NC(=O)C(C)OCC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000004538	1	42	-1.0	-49.47	359.60	5.47	-44.00
CCCC(NC(=O)C(C)OCC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000004538	1	43	0.0	-11.52	355.84	5.05	-6.47
CCCC(NC(=O)C1=CC2=CC=C(N(CC)CC)C=C2OC1=O)C1=NN=N[N-]1	REAL000000004539	0	51	-1.0	-52.62	416.01	7.39	-45.23
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C(=O)N1)C1=NN=N[N-]1	REAL000000004540	0	35	-1.0	-47.55	316.76	1.55	-46.00
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C(=O)N1)C1=N[N-]N=N1	REAL000000004540	1	35	-1.0	-47.53	316.70	1.55	-45.99
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C(=O)N1)C1=NNN=N1	REAL000000004540	1	36	0.0	-14.17	319.55	1.67	-12.50
CCCC(NC(=O)CCC1=CC=CC=C1N1CCOCC1)C1=NN=N[N-]1	REAL000000004541	0	51	-1.0	-45.89	405.72	4.58	-41.31
CCCC(NC(=O)CCC1=CC=CC=C1N1CCOCC1)C1=N[N-]N=N1	REAL000000004541	1	51	-1.0	-45.90	405.66	4.58	-41.32
CCCC(NC(=O)CCC1=CC=CC=C1N1CCOCC1)C1=NNN=N1	REAL000000004541	1	52	0.0	-11.12	409.10	4.59	-6.53
CCCC(NC(=O)C1=CN=C(F)C(Br)=C1)C1=NN=N[N-]1	REAL000000004542	0	31	-1.0	-41.06	296.37	2.41	-38.66
CCCC(NC(=O)C1=CN=C(F)C(Br)=C1)C1=N[N-]N=N1	REAL000000004542	1	31	-1.0	-41.05	296.32	2.40	-38.65
CCCC(NC(=O)C1=CN=C(F)C(Br)=C1)C1=NNN=N1	REAL000000004542	1	32	0.0	-10.31	299.75	2.42	-7.89
CCCC(NC(=O)C(C#N)=CC1=CN(C)N=C1)C1=NN=N[N-]1	REAL000000004543	0	37	-1.0	-44.50	325.47	2.80	-41.70
CCCC(NC(=O)C(C#N)=CC1=CN(C)N=C1)C1=N[N-]N=N1	REAL000000004543	1	37	-1.0	-44.50	325.42	2.79	-41.71
CCCC(NC(=O)C(C#N)=CC1=CN(C)N=C1)C1=NNN=N1	REAL000000004543	1	38	0.0	-11.53	328.90	2.80	-8.73
CCCC(NC(=O)CCC1=CC=C2C=CC=CC2=C1O)C1=NN=N[N-]1	REAL000000004544	0	45	-1.0	-46.68	375.11	4.65	-42.03
CCCC(NC(=O)CCC1=CC=C2C=CC=CC2=C1O)C1=N[N-]N=N1	REAL000000004544	1	45	-1.0	-46.68	375.05	4.64	-42.04
CCCC(NC(=O)CCC1=CC=C2C=CC=CC2=C1O)C1=NNN=N1	REAL000000004544	1	46	0.0	-9.68	371.26	4.32	-5.36
CCCC(NC(=O)C1=CC(F)=C(C#N)C(F)=C1)C1=NN=N[N-]1	REAL000000004545	0	33	-1.0	-41.64	306.91	4.11	-37.53
CCCC(NC(=O)C1=CC(F)=C(C#N)C(F)=C1)C1=N[N-]N=N1	REAL000000004545	1	33	-1.0	-41.63	306.85	4.10	-37.53
CCCC(NC(=O)C1=CC(F)=C(C#N)C(F)=C1)C1=NNN=N1	REAL000000004545	1	34	0.0	-9.57	303.12	3.79	-5.78
CCCC(NC(=O)C1=CN(CC(O)CO)N=C1)C1=NN=N[N-]1	REAL000000004546	0	40	-1.0	-52.28	343.15	-3.20	-55.48
CCCC(NC(=O)C1=CN(CC(O)CO)N=C1)C1=N[N-]N=N1	REAL000000004546	1	40	-1.0	-52.28	343.09	-3.21	-55.49
CCCC(NC(=O)C1=CN(CC(O)CO)N=C1)C1=NNN=N1	REAL000000004546	1	41	0.0	-17.51	346.52	-3.19	-20.70
CCCC(NC(=O)C1=CC=C(I)C=C1F)C1=NN=N[N-]1	REAL000000004547	0	32	-1.0	-47.10	306.68	4.82	-42.28
CCCC(NC(=O)C1=CC=C(I)C=C1F)C1=N[N-]N=N1	REAL000000004547	1	32	-1.0	-47.10	306.62	4.81	-42.29
CCCC(NC(=O)C1=CC=C(I)C=C1F)C1=NNN=N1	REAL000000004547	1	33	0.0	-12.58	310.05	4.83	-7.75
CCCC(NC(=O)C1=CC(Cl)=C(F)C=C1Br)C1=NN=N[N-]1	REAL000000004548	0	32	-1.0	-41.09	313.17	4.84	-36.25
CCCC(NC(=O)C1=CC(Cl)=C(F)C=C1Br)C1=N[N-]N=N1	REAL000000004548	1	32	-1.0	-41.09	313.11	4.84	-36.24
CCCC(NC(=O)C1=CC(Cl)=C(F)C=C1Br)C1=NNN=N1	REAL000000004548	1	33	0.0	-8.73	316.55	4.85	-3.88
CCCC(NC(=O)C1=NN(CCN2C=CC=N2)C=C1)C1=NN=N[N-]1	REAL000000004549	0	42	-1.0	-52.62	363.68	3.28	-49.34
CCCC(NC(=O)C1=NN(CCN2C=CC=N2)C=C1)C1=N[N-]N=N1	REAL000000004549	1	42	-1.0	-52.62	363.62	3.27	-49.35
CCCC(NC(=O)C1=NN(CCN2C=CC=N2)C=C1)C1=NNN=N1	REAL000000004549	1	43	0.0	-14.55	367.06	3.29	-11.27
CCCC(NC(=O)C(C)N(CCC)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000004550	0	54	-1.0	-44.57	416.69	5.29	-39.28
CCCC(NC(=O)C(C)N(CCC)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000004550	1	54	-1.0	-44.57	416.63	5.29	-39.28
CCCC(NC(=O)C(C)N(CCC)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004550	1	55	0.0	-11.24	420.08	5.30	-5.94
CCCC(NC(=O)CC1=C(C)N(CC)N=C1C)C1=NN=N[N-]1	REAL000000004551	0	44	-1.0	-49.18	362.68	3.99	-45.19
CCCC(NC(=O)CC1=C(C)N(CC)N=C1C)C1=N[N-]N=N1	REAL000000004551	1	44	-1.0	-49.17	362.62	3.99	-45.18
CCCC(NC(=O)CC1=C(C)N(CC)N=C1C)C1=NNN=N1	REAL000000004551	1	45	0.0	-15.45	366.06	4.00	-11.45
CCCC(NC(=O)C1=CN=C2C(F)=CC=CC2=C1)C1=NN=N[N-]1	REAL000000004552	0	37	-1.0	-47.35	321.90	4.11	-43.24
CCCC(NC(=O)C1=CN=C2C(F)=CC=CC2=C1)C1=N[N-]N=N1	REAL000000004552	1	37	-1.0	-47.34	321.84	4.10	-43.24
CCCC(NC(=O)C1=CN=C2C(F)=CC=CC2=C1)C1=NNN=N1	REAL000000004552	1	38	0.0	-13.59	325.27	4.12	-9.47
CCCC(NC(=O)C1=CSC(C2=CC=C(Cl)C=C2)=C1)C1=NN=N[N-]1	REAL000000004553	0	39	-1.0	-47.16	359.43	6.75	-40.41
CCCC(NC(=O)C1=CSC(C2=CC=C(Cl)C=C2)=C1)C1=N[N-]N=N1	REAL000000004553	1	39	-1.0	-47.16	359.37	6.74	-40.42
CCCC(NC(=O)C1=CSC(C2=CC=C(Cl)C=C2)=C1)C1=NNN=N1	REAL000000004553	1	40	0.0	-11.84	362.81	6.76	-5.08
CCCC(NC(=O)CC1=C(C)N(C(C)C)N=C1C)C1=NN=N[N-]1	REAL000000004554	0	47	-1.0	-49.49	382.42	4.67	-44.82
CCCC(NC(=O)CC1=C(C)N(C(C)C)N=C1C)C1=N[N-]N=N1	REAL000000004554	1	47	-1.0	-49.48	382.37	4.67	-44.81
CCCC(NC(=O)CC1=C(C)N(C(C)C)N=C1C)C1=NNN=N1	REAL000000004554	1	48	0.0	-15.33	385.81	4.68	-10.65
CCCC(NC(=O)C1=NC(SC)=NC=C1Br)C1=NN=N[N-]1	REAL000000004555	0	34	-1.0	-43.31	326.08	2.86	-40.44
CCCC(NC(=O)C1=NC(SC)=NC=C1Br)C1=N[N-]N=N1	REAL000000004555	1	34	-1.0	-43.31	326.02	2.85	-40.46
CCCC(NC(=O)C1=NC(SC)=NC=C1Br)C1=NNN=N1	REAL000000004555	1	35	0.0	-7.19	322.27	2.54	-4.65
CCCC(NC(=O)C1CC(C2=CC=C(C(F)(F)F)C=C2)C1)C1=NN=N[N-]1	REAL000000004556	0	45	-1.0	-45.83	380.94	7.09	-38.74
CCCC(NC(=O)C1CC(C2=CC=C(C(F)(F)F)C=C2)C1)C1=N[N-]N=N1	REAL000000004556	1	45	-1.0	-45.83	380.88	7.09	-38.74
CCCC(NC(=O)C1CC(C2=CC=C(C(F)(F)F)C=C2)C1)C1=NNN=N1	REAL000000004556	1	46	0.0	-11.93	384.17	7.10	-4.82
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1OC)C1=NN=N[N-]1	REAL000000004557	0	39	-1.0	-47.59	340.34	5.20	-42.38
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1OC)C1=N[N-]N=N1	REAL000000004557	1	39	-1.0	-47.59	340.28	5.20	-42.38
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1OC)C1=NNN=N1	REAL000000004557	1	40	0.0	-12.87	343.73	5.21	-7.65
CCCC(NC(=O)C1=CC(Br)=C(CC)S1)C1=NN=N[N-]1	REAL000000004558	0	35	-1.0	-44.39	329.12	4.77	-39.61
CCCC(NC(=O)C1=CC(Br)=C(CC)S1)C1=N[N-]N=N1	REAL000000004558	1	35	-1.0	-44.38	329.06	4.77	-39.61
CCCC(NC(=O)C1=CC(Br)=C(CC)S1)C1=NNN=N1	REAL000000004558	1	36	0.0	-9.88	332.49	4.78	-5.10
CCCC(NC(=O)C=CC1=CC=C(F)C(C)=C1)C1=NN=N[N-]1	REAL000000004559	0	39	-1.0	-45.37	335.58	5.55	-39.82
CCCC(NC(=O)C=CC1=CC=C(F)C(C)=C1)C1=N[N-]N=N1	REAL000000004559	1	39	-1.0	-45.37	335.52	5.54	-39.83
CCCC(NC(=O)C=CC1=CC=C(F)C(C)=C1)C1=NNN=N1	REAL000000004559	1	40	0.0	-11.31	338.96	5.56	-5.75
CCCC(NC(=O)CC1=CSC=C1Br)C1=NN=N[N-]1	REAL000000004560	0	32	-1.0	-43.64	308.35	3.82	-39.82
CCCC(NC(=O)CC1=CSC=C1Br)C1=N[N-]N=N1	REAL000000004560	1	32	-1.0	-43.63	308.29	3.81	-39.82
CCCC(NC(=O)CC1=CSC=C1Br)C1=NNN=N1	REAL000000004560	1	33	0.0	-7.69	304.53	3.49	-4.20
CCCC(NC(=O)C1=CN(CCC2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL000000004561	0	44	-1.0	-46.15	378.40	4.58	-41.57
CCCC(NC(=O)C1=CN(CCC2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL000000004561	1	44	-1.0	-46.16	378.34	4.58	-41.58
CCCC(NC(=O)C1=CN(CCC2=CC=CC=C2)N=N1)C1=NNN=N1	REAL000000004561	1	45	0.0	-10.50	374.59	4.27	-6.23
CCCC(NC(=O)C1CCC(OCC2CCCO2)CC1)C1=NN=N[N-]1	REAL000000004562	0	53	-1.0	-47.16	411.41	4.26	-42.90
CCCC(NC(=O)C1CCC(OCC2CCCO2)CC1)C1=N[N-]N=N1	REAL000000004562	1	53	-1.0	-47.16	411.36	4.26	-42.90
CCCC(NC(=O)C1CCC(OCC2CCCO2)CC1)C1=NNN=N1	REAL000000004562	1	54	0.0	-11.94	414.79	4.27	-7.67
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)CNC2=O)C1=NN=N[N-]1	REAL000000004563	0	41	-1.0	-49.73	348.81	-0.34	-50.06
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)CNC2=O)C1=N[N-]N=N1	REAL000000004563	1	41	-1.0	-49.73	348.76	-0.35	-50.07
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)CNC2=O)C1=NNN=N1	REAL000000004563	1	42	0.0	-13.99	344.98	-0.66	-14.65
CCCC(NC(=O)C1=CC(Br)=CC(N(C)C)=C1)C1=NN=N[N-]1	REAL000000004564	0	40	-1.0	-45.06	346.73	4.66	-40.40
CCCC(NC(=O)C1=CC(Br)=CC(N(C)C)=C1)C1=N[N-]N=N1	REAL000000004564	1	40	-1.0	-45.07	346.67	4.66	-40.41
CCCC(NC(=O)C1=CC(Br)=CC(N(C)C)=C1)C1=NNN=N1	REAL000000004564	1	41	0.0	-9.67	350.50	4.68	-4.99
CCCC(NC(=O)C1=CC(C#N)=CC(N(C)C)=C1)C1=NN=N[N-]1	REAL000000004565	0	41	-1.0	-45.26	346.26	4.43	-40.83
CCCC(NC(=O)C1=CC(C#N)=CC(N(C)C)=C1)C1=N[N-]N=N1	REAL000000004565	1	41	-1.0	-45.26	346.20	4.42	-40.84
CCCC(NC(=O)C1=CC(C#N)=CC(N(C)C)=C1)C1=NNN=N1	REAL000000004565	1	42	0.0	-11.58	351.03	4.46	-7.12
CCCC(NC(=O)C1=C(C)N(C2=NN(C)C=C2)N=N1)C1=NN=N[N-]1	REAL000000004566	0	41	-1.0	-49.83	352.78	2.76	-47.06
CCCC(NC(=O)C1=C(C)N(C2=NN(C)C=C2)N=N1)C1=N[N-]N=N1	REAL000000004566	1	41	-1.0	-49.83	352.72	2.76	-47.06
CCCC(NC(=O)C1=C(C)N(C2=NN(C)C=C2)N=N1)C1=NNN=N1	REAL000000004566	1	42	0.0	-14.34	356.15	2.77	-11.57
CCCC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL000000004567	0	47	0.0	-75.22	375.19	6.40	-68.82
CCCC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL000000004567	1	47	0.0	-75.21	375.13	6.40	-68.81
CCCC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1=NNN=N1	REAL000000004567	1	48	1.0	-48.52	378.57	6.41	-42.11
CCCC(NC(=O)C(=O)N1CCN(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL000000004568	0	48	-1.0	-41.02	380.96	2.89	-38.13
CCCC(NC(=O)C(=O)N1CCN(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL000000004568	1	48	-1.0	-41.02	380.90	2.88	-38.14
CCCC(NC(=O)C(=O)N1CCN(C2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000004568	1	49	0.0	-7.61	377.17	2.56	-5.05
CCCC(NC(=O)C1=NN(C2=CC=C(Br)C=C2)C=C1)C1=NN=N[N-]1	REAL000000004569	0	39	-1.0	-48.37	357.02	5.43	-42.94
CCCC(NC(=O)C1=NN(C2=CC=C(Br)C=C2)C=C1)C1=N[N-]N=N1	REAL000000004569	1	39	-1.0	-48.38	356.97	5.43	-42.95
CCCC(NC(=O)C1=NN(C2=CC=C(Br)C=C2)C=C1)C1=NNN=N1	REAL000000004569	1	40	0.0	-11.76	360.40	5.44	-6.32
CCCC(NC(=O)CCCC(=O)C1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL000000004570	0	47	-1.0	-59.68	391.57	5.05	-54.63
CCCC(NC(=O)CCCC(=O)C1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL000000004570	1	47	-1.0	-59.67	391.51	5.05	-54.62
CCCC(NC(=O)CCCC(=O)C1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000004570	1	48	0.0	-23.16	394.95	5.06	-18.10
CCCC(NC(=O)C1=C(N)N(C2=CC=CC=N2)N=C1)C1=NN=N[N-]1	REAL000000004571	0	40	-1.0	-50.38	341.03	3.52	-46.86
CCCC(NC(=O)C1=C(N)N(C2=CC=CC=N2)N=C1)C1=N[N-]N=N1	REAL000000004571	1	40	-1.0	-50.37	340.97	3.52	-46.86
CCCC(NC(=O)C1=C(N)N(C2=CC=CC=N2)N=C1)C1=NNN=N1	REAL000000004571	1	41	0.0	-14.40	344.37	3.54	-10.86
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1=NN=N[N-]1	REAL000000004572	0	42	-2.0	-124.49	372.45	4.32	-120.17
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1=N[N-]N=N1	REAL000000004572	1	42	-2.0	-124.50	372.39	4.32	-120.18
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1=NNN=N1	REAL000000004572	1	43	-1.0	-62.67	375.82	4.33	-58.34
CCCC(NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])C1=NN=N[N-]1	REAL000000004573	0	39	-2.0	-117.30	359.28	3.41	-113.89
CCCC(NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])C1=N[N-]N=N1	REAL000000004573	1	39	-2.0	-117.31	359.22	3.40	-113.92
CCCC(NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])C1=NNN=N1	REAL000000004573	1	40	-1.0	-55.34	355.47	3.06	-52.28
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])C1=NN=N[N-]1	REAL000000004574	0	39	-2.0	-117.49	352.30	2.94	-114.56
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])C1=N[N-]N=N1	REAL000000004574	1	39	-2.0	-117.50	352.24	2.93	-114.57
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])C1=NNN=N1	REAL000000004574	1	40	-1.0	-59.87	355.68	2.95	-56.92
CCCC(NC(=O)C1=C(C)N=C(C(F)(F)F)S1)C1=NN=N[N-]1	REAL000000004575	0	34	-1.0	-40.16	319.83	2.58	-37.58
CCCC(NC(=O)C1=C(C)N=C(C(F)(F)F)S1)C1=N[N-]N=N1	REAL000000004575	1	34	-1.0	-40.16	319.77	2.57	-37.59
CCCC(NC(=O)C1=C(C)N=C(C(F)(F)F)S1)C1=NNN=N1	REAL000000004575	1	35	0.0	-8.92	323.21	2.59	-6.33
CCCC(NC(=O)C1=CC(Br)=CC(C(=O)OC)=C1)C1=NN=N[N-]1	REAL000000004576	0	38	-1.0	-47.19	350.41	4.91	-42.28
CCCC(NC(=O)C1=CC(Br)=CC(C(=O)OC)=C1)C1=N[N-]N=N1	REAL000000004576	1	38	-1.0	-47.18	350.35	4.91	-42.27
CCCC(NC(=O)C1=CC(Br)=CC(C(=O)OC)=C1)C1=NNN=N1	REAL000000004576	1	39	0.0	-13.00	353.78	4.93	-8.07
CCCC(NC(=O)CC1=CNC2=CC=CC(Cl)=C12)C1=NN=N[N-]1	REAL000000004577	0	39	-1.0	-48.07	343.55	4.75	-43.32
CCCC(NC(=O)CC1=CNC2=CC=CC(Cl)=C12)C1=N[N-]N=N1	REAL000000004577	1	39	-1.0	-48.06	343.49	4.74	-43.32
CCCC(NC(=O)CC1=CNC2=CC=CC(Cl)=C12)C1=NNN=N1	REAL000000004577	1	40	0.0	-11.77	339.76	4.42	-7.35
CCCC(NC(=O)C1=CC(OC)=C(OC)C=C1Br)C1=NN=N[N-]1	REAL000000004578	0	40	-1.0	-46.40	349.20	3.53	-42.87
CCCC(NC(=O)C1=CC(OC)=C(OC)C=C1Br)C1=N[N-]N=N1	REAL000000004578	1	40	-1.0	-46.40	349.15	3.52	-42.88
CCCC(NC(=O)C1=CC(OC)=C(OC)C=C1Br)C1=NNN=N1	REAL000000004578	1	41	0.0	-9.33	345.41	3.21	-6.12
CCCC(NC(=O)C1=CN=C(C(F)(F)F)C(C#N)=C1)C1=NN=N[N-]1	REAL000000004579	0	35	-1.0	-41.76	327.46	3.15	-38.61
CCCC(NC(=O)C1=CN=C(C(F)(F)F)C(C#N)=C1)C1=N[N-]N=N1	REAL000000004579	1	35	-1.0	-41.75	327.40	3.15	-38.60
CCCC(NC(=O)C1=CN=C(C(F)(F)F)C(C#N)=C1)C1=NNN=N1	REAL000000004579	1	36	0.0	-13.10	329.62	3.05	-10.05
CCCC(NC(=O)C1=CC=NC(NC(=O)C(C)C)=C1)C1=NN=N[N-]1	REAL000000004580	0	44	-1.0	-49.44	367.20	3.72	-45.72
CCCC(NC(=O)C1=CC=NC(NC(=O)C(C)C)=C1)C1=N[N-]N=N1	REAL000000004580	1	44	-1.0	-49.44	367.14	3.71	-45.73
CCCC(NC(=O)C1=CC=NC(NC(=O)C(C)C)=C1)C1=NNN=N1	REAL000000004580	1	45	0.0	-17.08	370.14	3.71	-13.37
CCCC(NC(=O)C1=CC=C(OC(F)F)C(F)=C1)C1=NN=N[N-]1	REAL000000004581	0	36	-1.0	-45.74	319.72	3.31	-42.43
CCCC(NC(=O)C1=CC=C(OC(F)F)C(F)=C1)C1=N[N-]N=N1	REAL000000004581	1	36	-1.0	-45.74	319.66	3.30	-42.44
CCCC(NC(=O)C1=CC=C(OC(F)F)C(F)=C1)C1=NNN=N1	REAL000000004581	1	37	0.0	-12.07	323.10	3.32	-8.75
CCCC(NC(=O)C1=CC=NC(N2CCCC(C)C2)=C1)C1=NN=N[N-]1	REAL000000004582	0	49	-1.0	-46.42	387.55	4.41	-42.01
CCCC(NC(=O)C1=CC=NC(N2CCCC(C)C2)=C1)C1=N[N-]N=N1	REAL000000004582	1	49	-1.0	-46.41	387.49	4.41	-42.00
CCCC(NC(=O)C1=CC=NC(N2CCCC(C)C2)=C1)C1=NNN=N1	REAL000000004582	1	50	0.0	-9.31	383.72	4.10	-5.21
CCCC(NC(=O)C1=NN(C)C=C1Br)C1=NN=N[N-]1	REAL000000004583	0	32	-1.0	-49.92	299.20	2.07	-47.85
CCCC(NC(=O)C1=NN(C)C=C1Br)C1=N[N-]N=N1	REAL000000004583	1	32	-1.0	-49.92	299.14	2.07	-47.85
CCCC(NC(=O)C1=NN(C)C=C1Br)C1=NNN=N1	REAL000000004583	1	33	0.0	-10.78	295.41	1.74	-9.04
CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1Cl)C1=NN=N[N-]1	REAL000000004584	0	34	-1.0	-52.03	310.79	4.70	-47.33
CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1Cl)C1=N[N-]N=N1	REAL000000004584	1	34	-1.0	-52.03	310.73	4.70	-47.32
CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1Cl)C1=NNN=N1	REAL000000004584	1	35	0.0	-18.98	314.17	4.71	-14.27
CCCC(NC(=O)C=CCN(C)CC(F)(F)F)C1=NN=N[N-]1	REAL000000004585	0	40	-1.0	-46.44	343.81	2.16	-44.28
CCCC(NC(=O)C=CCN(C)CC(F)(F)F)C1=N[N-]N=N1	REAL000000004585	1	40	-1.0	-46.44	343.75	2.15	-44.29
CCCC(NC(=O)C=CCN(C)CC(F)(F)F)C1=NNN=N1	REAL000000004585	1	41	0.0	-11.24	347.18	2.17	-9.07
CCCC(NC(=O)C1=CN=C(OC2CCOCC2)C(Cl)=C1)C1=NN=N[N-]1	REAL000000004586	0	46	-1.0	-44.04	392.08	2.31	-41.73
CCCC(NC(=O)C1=CN=C(OC2CCOCC2)C(Cl)=C1)C1=N[N-]N=N1	REAL000000004586	1	46	-1.0	-44.04	392.03	2.31	-41.73
CCCC(NC(=O)C1=CN=C(OC2CCOCC2)C(Cl)=C1)C1=NNN=N1	REAL000000004586	1	47	0.0	-11.91	395.46	2.32	-9.59
CCCC(NC(=O)C(C)C1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL000000004587	0	41	-1.0	-46.98	340.94	3.54	-43.44
CCCC(NC(=O)C(C)C1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL000000004587	1	41	-1.0	-46.98	340.88	3.54	-43.44
CCCC(NC(=O)C(C)C1=CC=C2OCOC2=C1)C1=NNN=N1	REAL000000004587	1	42	0.0	-13.39	344.32	3.55	-9.84
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)C2(C)C)C1=NN=N[N-]1	REAL000000004588	0	43	-1.0	-48.94	357.58	3.15	-45.78
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)C2(C)C)C1=N[N-]N=N1	REAL000000004588	1	43	-1.0	-48.94	357.52	3.15	-45.80
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)C2(C)C)C1=NNN=N1	REAL000000004588	1	44	0.0	-15.58	360.95	3.16	-12.42
CCCC(NC(=O)C1CC(O)(CCC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000004589	0	51	-1.0	-49.16	390.33	3.23	-45.93
CCCC(NC(=O)C1CC(O)(CCC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000004589	1	51	-1.0	-49.16	390.27	3.23	-45.93
CCCC(NC(=O)C1CC(O)(CCC(C)(C)C)C1)C1=NNN=N1	REAL000000004589	1	52	0.0	-8.92	386.52	2.92	-6.00
CCCC(NC(=O)C1=C(C2=CC=CC=C2)N=CO1)C1=NN=N[N-]1	REAL000000004590	0	38	-1.0	-48.66	328.46	1.88	-46.78
CCCC(NC(=O)C1=C(C2=CC=CC=C2)N=CO1)C1=N[N-]N=N1	REAL000000004590	1	38	-1.0	-48.67	328.40	1.88	-46.79
CCCC(NC(=O)C1=C(C2=CC=CC=C2)N=CO1)C1=NNN=N1	REAL000000004590	1	39	0.0	-13.09	331.84	1.89	-11.20
CCCC(NC(=O)C(CS(C)(=O)=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000004591	0	44	-1.0	-55.75	374.80	2.44	-53.31
CCCC(NC(=O)C(CS(C)(=O)=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000004591	1	44	-1.0	-55.75	374.74	2.44	-53.31
CCCC(NC(=O)C(CS(C)(=O)=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000004591	1	45	0.0	-16.98	370.35	2.12	-14.86
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000004592	0	41	-1.0	-48.43	367.34	5.53	-42.90
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000004592	1	41	-1.0	-48.43	367.28	5.52	-42.91
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2C(F)(F)F)=C1)C1=NNN=N1	REAL000000004592	1	42	0.0	-11.95	370.72	5.53	-6.41
CCCC(NC(=O)C1=CC=C(C(=O)OCC)C=N1)C1=NN=N[N-]1	REAL000000004593	0	40	-1.0	-44.37	348.39	3.50	-40.87
CCCC(NC(=O)C1=CC=C(C(=O)OCC)C=N1)C1=N[N-]N=N1	REAL000000004593	1	40	-1.0	-44.37	348.33	3.50	-40.87
CCCC(NC(=O)C1=CC=C(C(=O)OCC)C=N1)C1=NNN=N1	REAL000000004593	1	41	0.0	-10.30	351.76	3.51	-6.79
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl)C1=NN=N[N-]1	REAL000000004594	0	37	-1.0	-44.54	333.69	5.46	-39.08
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl)C1=N[N-]N=N1	REAL000000004594	1	37	-1.0	-44.53	333.64	5.46	-39.07
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl)C1=NNN=N1	REAL000000004594	1	38	0.0	-10.58	337.07	5.47	-5.11
CCCC(NC(=O)CCC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000004595	0	42	-1.0	-47.86	368.79	5.63	-42.23
CCCC(NC(=O)CCC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000004595	1	42	-1.0	-47.86	368.73	5.63	-42.23
CCCC(NC(=O)CCC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000004595	1	43	0.0	-16.97	372.17	5.64	-11.33
CCCC(NC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)C1=NN=N[N-]1	REAL000000004596	0	50	-1.0	-47.02	400.70	4.48	-42.54
CCCC(NC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)C1=N[N-]N=N1	REAL000000004596	1	50	-1.0	-47.02	400.64	4.48	-42.54
CCCC(NC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)C1=NNN=N1	REAL000000004596	1	51	0.0	-14.64	403.79	4.55	-10.10
CCCC(NC(=O)C(C)C1OCCC2=C1C=CS2)C1=NN=N[N-]1	REAL000000004597	0	43	-1.0	-46.58	356.19	4.97	-41.61
CCCC(NC(=O)C(C)C1OCCC2=C1C=CS2)C1=N[N-]N=N1	REAL000000004597	1	43	-1.0	-46.58	356.13	4.97	-41.61
CCCC(NC(=O)C(C)C1OCCC2=C1C=CS2)C1=NNN=N1	REAL000000004597	1	44	0.0	-9.13	352.42	4.85	-4.27
CCCC(NC(=O)C1=NOC(CN2CCCC2)=C1)C1=NN=N[N-]1	REAL000000004598	0	43	-1.0	-45.45	355.44	1.65	-43.80
CCCC(NC(=O)C1=CC(Cl)=C(F)C=C1Cl)C1=NN=N[N-]1	REAL000000004599	0	32	-1.0	-41.68	309.43	4.73	-36.95
CCCC(NC(=O)C1=CC(Cl)=C(F)C=C1Cl)C1=N[N-]N=N1	REAL000000004599	1	32	-1.0	-41.67	309.38	4.73	-36.94
CCCC(NC(=O)C1=CC(Cl)=C(F)C=C1Cl)C1=NNN=N1	REAL000000004599	1	33	0.0	-9.10	312.81	4.74	-4.36
CCCC(NC(=O)C1=CC(Cl)=CC(OC)=C1)C1=NN=N[N-]1	REAL000000004600	0	36	-1.0	-45.36	320.56	3.48	-41.88
CCCC(NC(=O)C1=CC(Cl)=CC(OC)=C1)C1=N[N-]N=N1	REAL000000004600	1	36	-1.0	-45.36	320.50	3.47	-41.89
CCCC(NC(=O)C1=CC(Cl)=CC(OC)=C1)C1=NNN=N1	REAL000000004600	1	37	0.0	-10.53	323.93	3.48	-7.05
C#CCCOC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000004601	0	41	-1.0	-47.07	352.89	5.22	-41.85
C#CCCOC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000004601	1	41	-1.0	-47.05	352.83	5.22	-41.83
C#CCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000004601	1	42	0.0	-11.97	356.27	5.23	-6.74
CCCC(NC(=O)C1=C(I)N(C)N=C1)C1=NN=N[N-]1	REAL000000004602	0	32	-1.0	-44.68	302.32	2.25	-42.43
CCCC(NC(=O)C1=C(I)N(C)N=C1)C1=N[N-]N=N1	REAL000000004602	1	32	-1.0	-44.67	302.26	2.25	-42.42
CCCC(NC(=O)C1=C(I)N(C)N=C1)C1=NNN=N1	REAL000000004602	1	33	0.0	-10.88	305.70	2.26	-8.62
CCCC(NC(=O)COC1=CC=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL000000004603	0	36	-1.0	-46.21	330.49	4.79	-41.43
CCCC(NC(=O)COC1=CC=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL000000004603	1	36	-1.0	-46.21	330.43	4.78	-41.43
CCCC(NC(=O)COC1=CC=C(Cl)C(F)=C1)C1=NNN=N1	REAL000000004603	1	37	0.0	-13.30	333.86	4.80	-8.51
CCCC(NC(=O)C1=CN(C2=CC=CC(OC)=C2)N=N1)C1=NN=N[N-]1	REAL000000004604	0	42	-1.0	-48.20	361.19	2.65	-45.56
CCCC(NC(=O)C1=CN(C2=CC=CC(OC)=C2)N=N1)C1=N[N-]N=N1	REAL000000004604	1	42	-1.0	-48.21	361.13	2.64	-45.57
CCCC(NC(=O)C1=CN(C2=CC=CC(OC)=C2)N=N1)C1=NNN=N1	REAL000000004604	1	43	0.0	-13.71	364.56	2.66	-11.05
CCCC(NC(=O)C1=C(Cl)SC(Cl)=N1)C1=NN=N[N-]1	REAL000000004605	0	28	-1.0	-42.85	292.62	1.83	-41.02
CCCC(NC(=O)C1=C(Cl)SC(Cl)=N1)C1=N[N-]N=N1	REAL000000004605	1	28	-1.0	-42.85	292.56	1.82	-41.02
CCCC(NC(=O)C1=C(Cl)SC(Cl)=N1)C1=NNN=N1	REAL000000004605	1	29	0.0	-6.12	288.80	1.51	-4.61
CCCC(NC(=O)CCN1C(=O)CCNC1=S)C1=NN=N[N-]1	REAL000000004606	0	40	-1.0	-58.44	345.94	2.53	-55.92
CCCC(NC(=O)CCN1C(=O)CCNC1=S)C1=N[N-]N=N1	REAL000000004606	1	40	-1.0	-58.44	345.88	2.53	-55.91
CCCC(NC(=O)CCN1C(=O)CCNC1=S)C1=NNN=N1	REAL000000004606	1	41	0.0	-18.75	342.09	2.21	-16.54
CCCC(NC(=O)C1CCCN(S(N)(=O)=O)C1)C1=NN=N[N-]1	REAL000000004607	0	42	-1.0	-52.33	347.77	-2.32	-54.64
CCCC(NC(=O)C1CCCN(S(N)(=O)=O)C1)C1=N[N-]N=N1	REAL000000004607	1	42	-1.0	-52.33	347.71	-2.32	-54.65
CCCC(NC(=O)C1CCCN(S(N)(=O)=O)C1)C1=NNN=N1	REAL000000004607	1	43	0.0	-15.35	351.19	-2.31	-17.66
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CN=C1C)C1=NN=N[N-]1	REAL000000004608	0	39	-1.0	-49.18	340.01	-2.55	-51.73
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CN=C1C)C1=N[N-]N=N1	REAL000000004608	1	39	-1.0	-49.19	339.95	-2.55	-51.74
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CN=C1C)C1=NNN=N1	REAL000000004608	1	40	0.0	-13.06	336.18	-2.86	-15.92
CCCC(NC(=O)C1=CC=NC(C2=NC=CN2)=C1)C1=NN=N[N-]1	REAL000000004609	0	38	-1.0	-53.48	330.15	2.32	-51.17
CCCC(NC(=O)C1=CC=NC(C2=NC=CN2)=C1)C1=N[N-]N=N1	REAL000000004609	1	38	-1.0	-53.48	330.09	2.31	-51.17
CCCC(NC(=O)C1=CC=NC(C2=NC=CN2)=C1)C1=NNN=N1	REAL000000004609	1	39	0.0	-18.28	333.53	2.33	-15.96
CCCC(NC(=O)CN1N=NC2=C1CCCC2)C1=NN=N[N-]1	REAL000000004610	0	41	-1.0	-57.01	336.98	2.78	-54.22
CCCC(NC(=O)CN1N=NC2=C1CCCC2)C1=N[N-]N=N1	REAL000000004610	1	41	-1.0	-57.00	336.92	2.77	-54.23
CCCC(NC(=O)CN1N=NC2=C1CCCC2)C1=NNN=N1	REAL000000004610	1	42	0.0	-19.12	340.36	2.79	-16.32
CCCC(NC(=O)CC1CCCS(=O)(=O)C1)C1=NN=N[N-]1	REAL000000004611	0	41	-1.0	-55.20	337.64	0.65	-54.55
CCCC(NC(=O)CC1CCCS(=O)(=O)C1)C1=N[N-]N=N1	REAL000000004611	1	41	-1.0	-55.19	337.58	0.65	-54.55
CCCC(NC(=O)CC1CCCS(=O)(=O)C1)C1=NNN=N1	REAL000000004611	1	42	0.0	-20.14	341.02	0.66	-19.49
CCCC(NC(=O)C1=CN=C(CCOCCOC)N1)C1=NN=N[N-]1	REAL000000004612	0	46	-1.0	-47.48	388.86	0.98	-46.50
CCCC(NC(=O)C1=CN=C(CCOCCOC)N1)C1=N[N-]N=N1	REAL000000004612	1	46	-1.0	-47.48	388.80	0.97	-46.50
CCCC(NC(=O)C1=CN=C(CCOCCOC)N1)C1=NNN=N1	REAL000000004612	1	47	0.0	-11.09	385.04	0.66	-10.43
CCCC(NC(=O)C1=C(CC)N=C2C=CC(Cl)=CN21)C1=NN=N[N-]1	REAL000000004613	0	41	-1.0	-47.31	364.48	5.72	-41.60
CCCC(NC(=O)C1=C(CC)N=C2C=CC(Cl)=CN21)C1=N[N-]N=N1	REAL000000004613	1	41	-1.0	-47.31	364.42	5.72	-41.60
CCCC(NC(=O)C1=C(CC)N=C2C=CC(Cl)=CN21)C1=NNN=N1	REAL000000004613	1	42	0.0	-9.74	359.63	5.34	-4.40
CCCC(NC(=O)C1=CC=C(C2=CC=C(C(F)(F)F)C=C2)O1)C1=NN=N[N-]1	REAL000000004614	0	42	-1.0	-45.15	376.73	6.39	-38.76
CCCC(NC(=O)C1=CC=C(C2=CC=C(C(F)(F)F)C=C2)O1)C1=N[N-]N=N1	REAL000000004614	1	42	-1.0	-45.15	376.67	6.38	-38.77
CCCC(NC(=O)C1=CC=C(C2=CC=C(C(F)(F)F)C=C2)O1)C1=NNN=N1	REAL000000004614	1	43	0.0	-10.59	380.11	6.40	-4.19
CCCC(NC(=O)C1=C(C)C2=CC(Br)=CC=C2S1)C1=NN=N[N-]1	REAL000000004615	0	38	-1.0	-43.85	349.33	6.27	-37.58
CCCC(NC(=O)C1=C(C)C2=CC(Br)=CC=C2S1)C1=N[N-]N=N1	REAL000000004615	1	38	-1.0	-43.86	349.27	6.28	-37.58
CCCC(NC(=O)C1=C(C)C2=CC(Br)=CC=C2S1)C1=NNN=N1	REAL000000004615	1	39	0.0	-6.50	345.52	5.96	-0.54
CCCC(NC(=O)C(C)OCC1=CC=NC=C1)C1=NN=N[N-]1	REAL000000004616	0	41	-1.0	-50.68	348.12	3.63	-47.05
CCCC(NC(=O)C(C)OCC1=CC=NC=C1)C1=N[N-]N=N1	REAL000000004616	1	41	-1.0	-50.69	348.06	3.63	-47.05
CCCC(NC(=O)C(C)OCC1=CC=NC=C1)C1=NNN=N1	REAL000000004616	1	42	0.0	-16.25	351.50	3.64	-12.60
CCCC(NC(=O)C1=CN=C2C(F)=CC=C(F)C2=C1)C1=NN=N[N-]1	REAL000000004617	0	37	-1.0	-46.82	327.48	4.15	-42.67
CCCC(NC(=O)C1=CN=C2C(F)=CC=C(F)C2=C1)C1=N[N-]N=N1	REAL000000004617	1	37	-1.0	-46.82	327.43	4.14	-42.67
CCCC(NC(=O)C1=CN=C2C(F)=CC=C(F)C2=C1)C1=NNN=N1	REAL000000004617	1	38	0.0	-12.72	330.86	4.16	-8.56
CCCC(NC(=O)C1=CC(Br)=C2C=CC=CC2=C1)C1=NN=N[N-]1	REAL000000004618	0	38	-1.0	-45.26	338.76	6.41	-38.85
CCCC(NC(=O)C1=CC(Br)=C2C=CC=CC2=C1)C1=N[N-]N=N1	REAL000000004618	1	38	-1.0	-45.26	338.70	6.40	-38.86
CCCC(NC(=O)C1=CC(Br)=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000004618	1	39	0.0	-10.00	342.14	6.43	-3.57
CCCC(NC(=O)C1CCCN(C2=CC=CC=C2)C1=O)C1=NN=N[N-]1	REAL000000004619	0	46	-1.0	-54.95	375.00	5.69	-49.27
CCCC(NC(=O)C1CCCN(C2=CC=CC=C2)C1=O)C1=N[N-]N=N1	REAL000000004619	1	46	-1.0	-54.95	374.95	5.68	-49.27
CCCC(NC(=O)C1CCCN(C2=CC=CC=C2)C1=O)C1=NNN=N1	REAL000000004619	1	47	0.0	-13.89	378.40	5.70	-8.19
CCCC(NC(=O)CCC1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL000000004620	0	42	-1.0	-48.95	354.92	1.91	-47.05
CCCC(NC(=O)CCC1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL000000004620	1	42	-1.0	-48.95	354.86	1.91	-47.04
CCCC(NC(=O)CCC1=CC=C(C(N)=O)C=C1)C1=NNN=N1	REAL000000004620	1	43	0.0	-14.20	351.11	1.60	-12.60
CCCC(NC(=O)C(C)N(C(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL000000004621	0	52	-1.0	-44.50	397.14	4.70	-39.80
CCCC(NC(=O)C(C)N(C(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL000000004621	1	52	-1.0	-44.51	397.07	4.69	-39.82
CCCC(NC(=O)C(C)N(C(=O)OC(C)(C)C)C1CC1)C1=NNN=N1	REAL000000004621	1	53	0.0	-13.18	400.52	4.71	-8.47
CCCC(NC(=O)C1=C(I)C=NN1C)C1=NN=N[N-]1	REAL000000004622	0	32	-1.0	-44.06	307.78	2.36	-41.70
CCCC(NC(=O)C1=C(I)C=NN1C)C1=N[N-]N=N1	REAL000000004622	1	32	-1.0	-44.05	307.72	2.36	-41.69
CCCC(NC(=O)C1=C(I)C=NN1C)C1=NNN=N1	REAL000000004622	1	33	0.0	-9.12	311.00	2.37	-6.74
CCCC(NC(=O)C1=C(C)C2=CC(C#N)=CC=C2S1)C1=NN=N[N-]1	REAL000000004623	0	39	-1.0	-46.12	348.92	6.05	-40.07
CCCC(NC(=O)C1=C(C)C2=CC(C#N)=CC=C2S1)C1=N[N-]N=N1	REAL000000004623	1	39	-1.0	-46.11	348.86	6.05	-40.06
CCCC(NC(=O)C1=C(C)C2=CC(C#N)=CC=C2S1)C1=NNN=N1	REAL000000004623	1	40	0.0	-11.66	352.29	6.06	-5.60
CCCC(NC(=O)CCC1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000004624	0	55	-1.0	-52.49	427.51	5.27	-47.23
CCCC(NC(=O)CCC1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000004624	1	55	-1.0	-52.49	427.45	5.26	-47.24
CCCC(NC(=O)CCC1CCCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004624	1	56	0.0	-16.92	430.88	5.27	-11.65
CCCC(NC(=O)C1=CN2C(Br)=CN=C2S1)C1=NN=N[N-]1	REAL000000004625	0	32	-1.0	-41.31	316.10	3.98	-37.33
CCCC(NC(=O)C1=CN2C(Br)=CN=C2S1)C1=N[N-]N=N1	REAL000000004625	1	32	-1.0	-41.31	316.04	3.98	-37.33
CCCC(NC(=O)C1=CN2C(Br)=CN=C2S1)C1=NNN=N1	REAL000000004625	1	33	0.0	-9.91	319.48	3.99	-5.92
CCCC(NC(=O)C1=CC=C(COCCOC)C=C1)C1=NN=N[N-]1	REAL000000004626	0	46	-1.0	-50.01	384.89	3.62	-46.39
CCCC(NC(=O)C1=CC=C(COCCOC)C=C1)C1=N[N-]N=N1	REAL000000004626	1	46	-1.0	-50.00	384.84	3.61	-46.39
CCCC(NC(=O)C1=CC=C(COCCOC)C=C1)C1=NNN=N1	REAL000000004626	1	47	0.0	-10.30	381.07	3.30	-7.00
CCCC(NC(=O)C1CCC2=CC=CC(O)=C21)C1=NN=N[N-]1	REAL000000004627	0	40	-1.0	-49.41	330.15	2.62	-46.79
CCCC(NC(=O)C1CCC2=CC=CC(O)=C21)C1=N[N-]N=N1	REAL000000004627	1	40	-1.0	-49.41	330.09	2.62	-46.78
CCCC(NC(=O)C1CCC2=CC=CC(O)=C21)C1=NNN=N1	REAL000000004627	1	41	0.0	-11.56	326.11	2.98	-8.58
CCCC(NC(=O)C=CC1=CC=C(OC2=CC=C(F)C=C2)C=C1)C1=NN=N[N-]1	REAL000000004628	0	47	-1.0	-46.72	403.91	7.75	-38.97
CCCC(NC(=O)C=CC1=CC=C(OC2=CC=C(F)C=C2)C=C1)C1=N[N-]N=N1	REAL000000004628	1	47	-1.0	-46.72	403.85	7.74	-38.97
CCCC(NC(=O)C=CC1=CC=C(OC2=CC=C(F)C=C2)C=C1)C1=NNN=N1	REAL000000004628	1	48	0.0	-11.93	407.28	7.75	-4.18
CCCC(NC(=O)C1=CC=C2C(=O)CCCC2=C1)C1=NN=N[N-]1	REAL000000004629	0	41	-1.0	-47.12	339.19	5.24	-41.88
CCCC(NC(=O)C1=CC=C2C(=O)CCCC2=C1)C1=N[N-]N=N1	REAL000000004629	1	41	-1.0	-47.12	339.13	5.24	-41.88
CCCC(NC(=O)C1=CC=C2C(=O)CCCC2=C1)C1=NNN=N1	REAL000000004629	1	42	0.0	-12.57	342.57	5.25	-7.32
CCCC(NC(=O)C1=CC=CC(F)=C1Br)C1=NN=N[N-]1	REAL000000004630	0	32	-1.0	-48.47	296.33	4.32	-44.15
CCCC(NC(=O)C1=CC=CC(F)=C1Br)C1=N[N-]N=N1	REAL000000004630	1	32	-1.0	-48.48	296.27	4.33	-44.15
CCCC(NC(=O)C1=CC=CC(F)=C1Br)C1=NNN=N1	REAL000000004630	1	33	0.0	-10.14	292.50	4.01	-6.13
CCCC(NC(=O)C1=C(C)N=C(C2=C(C)ON=C2C)S1)C1=NN=N[N-]1	REAL000000004631	0	43	-1.0	-44.53	370.70	4.10	-40.42
CCCC(NC(=O)C1=C(C)N=C(C2=C(C)ON=C2C)S1)C1=N[N-]N=N1	REAL000000004631	1	43	-1.0	-44.51	370.64	4.10	-40.41
CCCC(NC(=O)C1=C(C)N=C(C2=C(C)ON=C2C)S1)C1=NNN=N1	REAL000000004631	1	44	0.0	-8.81	366.90	3.79	-5.02
CCCC(NC(=O)C1=CN(C2=CC=NC=C2)N=C1)C1=NN=N[N-]1	REAL000000004632	0	38	-1.0	-46.81	330.48	3.03	-43.79
CCCC(NC(=O)C1=NOC(CN2C=CC=N2)=C1)C1=NN=N[N-]1	REAL000000004633	0	38	-1.0	-52.29	337.37	2.74	-49.55
CCCC(NC(=O)C1=NOC(CN2C=CC=N2)=C1)C1=N[N-]N=N1	REAL000000004633	1	38	-1.0	-52.29	337.31	2.73	-49.56
CCCC(NC(=O)C1=NOC(CN2C=CC=N2)=C1)C1=NNN=N1	REAL000000004633	1	39	0.0	-14.77	340.75	2.76	-12.02
CCCC(NC(=O)C1=NSC2=CC=C(C)C=C21)C1=NN=N[N-]1	REAL000000004634	0	37	-1.0	-47.92	326.40	4.32	-43.59
CCCC(NC(=O)C1=NSC2=CC=C(C)C=C21)C1=N[N-]N=N1	REAL000000004634	1	37	-1.0	-47.92	326.34	4.33	-43.59
CCCC(NC(=O)C1=NSC2=CC=C(C)C=C21)C1=NNN=N1	REAL000000004634	1	38	0.0	-10.38	329.78	4.33	-6.05
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC=C1N)C1=NN=N[N-]1	REAL000000004635	0	42	-1.0	-51.28	363.43	-1.66	-52.94
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC=C1N)C1=N[N-]N=N1	REAL000000004635	1	42	-1.0	-51.28	363.37	-1.67	-52.95
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC=C1N)C1=NNN=N1	REAL000000004635	1	43	0.0	-15.89	366.81	-1.65	-17.54
CCCC(NC(=O)C(C)C1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL000000004636	0	38	-1.0	-44.60	336.20	5.49	-39.11
CCCC(NC(=O)C(C)C1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL000000004636	1	38	-1.0	-44.60	336.14	5.48	-39.12
CCCC(NC(=O)C(C)C1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000004636	1	39	0.0	-10.40	339.55	5.51	-4.89
CCCC(NC(=O)CC(C)C1=CC=C(F)C(Br)=C1)C1=NN=N[N-]1	REAL000000004637	0	41	-1.0	-44.25	360.82	6.22	-38.03
CCCC(NC(=O)CC(C)C1=CC=C(F)C(Br)=C1)C1=N[N-]N=N1	REAL000000004637	1	41	-1.0	-44.25	360.76	6.21	-38.03
CCCC(NC(=O)CC(C)C1=CC=C(F)C(Br)=C1)C1=NNN=N1	REAL000000004637	1	42	0.0	-8.16	356.97	5.90	-2.26
CCCC(NC(=O)C(C)CC1=CN=C2C=CC=CC2=N1)C1=NN=N[N-]1	REAL000000004638	0	45	-1.0	-48.23	369.90	4.62	-43.61
CCCC(NC(=O)C(C)CC1=CN=C2C=CC=CC2=N1)C1=N[N-]N=N1	REAL000000004638	1	45	-1.0	-48.23	369.84	4.62	-43.61
CCCC(NC(=O)C(C)CC1=CN=C2C=CC=CC2=N1)C1=NNN=N1	REAL000000004638	1	46	0.0	-10.70	369.76	3.74	-6.95
CCCC(NC(=O)CC1=C(Br)C=CS1)C1=NN=N[N-]1	REAL000000004639	0	32	-1.0	-43.97	308.66	3.98	-39.98
CCCC(NC(=O)CC1=C(Br)C=CS1)C1=N[N-]N=N1	REAL000000004639	1	32	-1.0	-43.97	308.60	3.98	-39.98
CCCC(NC(=O)CC1=C(Br)C=CS1)C1=NNN=N1	REAL000000004639	1	33	0.0	-10.15	312.03	3.99	-6.16
CCCC(NC(=O)CCOC1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL000000004640	0	43	-1.0	-45.97	358.34	3.28	-42.69
CCCC(NC(=O)CCOC1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL000000004640	1	43	-1.0	-45.97	358.28	3.27	-42.70
CCCC(NC(=O)CCOC1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000004640	1	44	0.0	-12.19	361.71	3.29	-8.89
CCCC(NC(=O)C1=CC=C(C2CC2)N=C1C)C1=NN=N[N-]1	REAL000000004641	0	41	-1.0	-46.26	335.42	4.57	-41.69
CCCC(NC(=O)C1=CC=C(C2CC2)N=C1C)C1=N[N-]N=N1	REAL000000004641	1	41	-1.0	-46.26	335.36	4.57	-41.68
CCCC(NC(=O)C1=CC=C(C2CC2)N=C1C)C1=NNN=N1	REAL000000004641	1	42	0.0	-8.51	331.58	4.25	-4.26
CCCC(NC(=O)C1=CN=C(OC2CCCCC2)C(Cl)=C1)C1=NN=N[N-]1	REAL000000004642	0	48	-1.0	-43.15	401.14	4.72	-38.43
CCCC(NC(=O)C1=CN=C(OC2CCCCC2)C(Cl)=C1)C1=N[N-]N=N1	REAL000000004642	1	48	-1.0	-43.15	401.08	4.71	-38.43
CCCC(NC(=O)C1=CN=C(OC2CCCCC2)C(Cl)=C1)C1=NNN=N1	REAL000000004642	1	49	0.0	-10.60	404.51	4.74	-5.87
CCCC(NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C1=NN=N[N-]1	REAL000000004643	0	43	-1.0	-53.64	355.51	3.56	-50.08
CCCC(NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C1=N[N-]N=N1	REAL000000004643	1	43	-1.0	-53.64	355.46	3.56	-50.08
CCCC(NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C1=NNN=N1	REAL000000004643	1	44	0.0	-16.17	358.89	3.57	-12.60
CCCC(NC(=O)C1=CC=C2NC3=C(CN(C)CC3)C2=C1)C1=NN=N[N-]1	REAL000000004644	0	48	-1.0	-51.26	380.14	3.14	-48.12
CCCC(NC(=O)C1=CC=C2NC3=C(CN(C)CC3)C2=C1)C1=N[N-]N=N1	REAL000000004644	1	48	-1.0	-51.26	380.08	3.14	-48.12
CCCC(NC(=O)C1=CC=C(OC(C)(C)C)C=N1)C1=NN=N[N-]1	REAL000000004645	0	44	-1.0	-45.84	351.98	2.90	-42.94
CCCC(NC(=O)C1=CC=C(OC(C)(C)C)C=N1)C1=N[N-]N=N1	REAL000000004645	1	44	-1.0	-45.85	351.92	2.91	-42.95
CCCC(NC(=O)C1=CC=C(OC(C)(C)C)C=N1)C1=NNN=N1	REAL000000004645	1	45	0.0	-9.67	355.36	2.91	-6.75
CCCC(NC(=O)C1=CNC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000004646	0	33	-1.0	-49.08	302.51	2.48	-46.60
CCCC(NC(=O)C1=CNC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000004646	1	33	-1.0	-49.08	302.45	2.48	-46.60
CCCC(NC(=O)C1=CNC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000004646	1	34	0.0	-10.76	298.70	2.16	-8.60
CCCC(NC(=O)C1=CC=C2C=C(C)C=CC2=N1)C1=NN=N[N-]1	REAL000000004647	0	40	-1.0	-48.13	339.17	4.74	-43.39
CCCC(NC(=O)C1=CC=C2C=C(C)C=CC2=N1)C1=N[N-]N=N1	REAL000000004647	1	40	-1.0	-48.14	339.11	4.73	-43.41
CCCC(NC(=O)C1=CC=C2C=C(C)C=CC2=N1)C1=NNN=N1	REAL000000004647	1	41	0.0	-10.74	342.55	4.74	-6.00
CCCC(NC(=O)C1=CC=C(C(=O)OC)N1C)C1=NN=N[N-]1	REAL000000004648	0	39	-1.0	-44.90	331.56	3.61	-41.29
CCCC(NC(=O)C1=CC=C(C(=O)OC)N1C)C1=N[N-]N=N1	REAL000000004648	1	39	-1.0	-44.90	331.50	3.61	-41.29
CCCC(NC(=O)C1=CC=C(C(=O)OC)N1C)C1=NNN=N1	REAL000000004648	1	40	0.0	-9.34	327.36	3.31	-6.03
CCCC(NC(=O)C(C)NS(=O)(=O)CC)C1=NN=N[N-]1	REAL000000004649	0	39	-1.0	-49.92	334.72	-1.60	-51.52
CCCC(NC(=O)C(C)NS(=O)(=O)CC)C1=N[N-]N=N1	REAL000000004649	1	39	-1.0	-49.91	334.66	-1.61	-51.52
CCCC(NC(=O)C(C)NS(=O)(=O)CC)C1=NNN=N1	REAL000000004649	1	40	0.0	-17.05	338.09	-1.59	-18.64
CCCC(NC(=O)C1=CC(=O)NC(C2CC2)=N1)C1=NN=N[N-]1	REAL000000004650	0	38	-1.0	-49.87	327.40	2.00	-47.87
CCCC(NC(=O)C1=CC(=O)NC(C2CC2)=N1)C1=N[N-]N=N1	REAL000000004650	1	38	-1.0	-49.86	327.34	2.01	-47.86
CCCC(NC(=O)C1=CC(=O)NC(C2CC2)=N1)C1=NNN=N1	REAL000000004650	1	39	0.0	-15.04	330.78	2.02	-13.02
CCCC(NC(=O)C1=CC=C2C(C)=CC(=O)NC2=C1)C1=NN=N[N-]1	REAL000000004651	0	41	-1.0	-51.55	345.17	3.32	-48.23
CCCC(NC(=O)C1=CC=C2C(C)=CC(=O)NC2=C1)C1=N[N-]N=N1	REAL000000004651	1	41	-1.0	-51.55	345.11	3.32	-48.22
CCCC(NC(=O)C1=CC=C2C(C)=CC(=O)NC2=C1)C1=NNN=N1	REAL000000004651	1	42	0.0	-18.51	348.54	3.33	-15.18
CCCC(NC(=O)CC1=CC=CC(Cl)=C1F)C1=NN=N[N-]1	REAL000000004652	0	35	-1.0	-45.36	320.61	4.85	-40.50
CCCC(NC(=O)CC1=CC=CC(Cl)=C1F)C1=N[N-]N=N1	REAL000000004652	1	35	-1.0	-45.36	320.56	4.85	-40.51
CCCC(NC(=O)CC1=CC=CC(Cl)=C1F)C1=NNN=N1	REAL000000004652	1	36	0.0	-12.64	323.99	4.86	-7.78
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)C1CC)C1=NN=N[N-]1	REAL000000004653	0	55	-1.0	-52.81	413.78	5.40	-47.41
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)C1CC)C1=N[N-]N=N1	REAL000000004653	1	55	-1.0	-52.81	413.72	5.40	-47.40
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)C1CC)C1=NNN=N1	REAL000000004653	1	56	0.0	-14.27	415.84	5.16	-9.11
CCCC(NC(=O)C(=O)NC1=CC=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL000000004654	0	36	-1.0	-40.74	334.41	2.47	-38.27
CCCC(NC(=O)C(=O)NC1=CC=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL000000004654	1	36	-1.0	-40.74	334.36	2.47	-38.27
CCCC(NC(=O)C(=O)NC1=CC=C(Cl)C(F)=C1)C1=NNN=N1	REAL000000004654	1	37	0.0	-10.41	337.79	2.48	-7.93
CCCC(NC(=O)C1=CC=C(C2CCCC2)C=C1)C1=NN=N[N-]1	REAL000000004655	0	45	-1.0	-46.08	357.84	6.85	-39.23
CCCC(NC(=O)C1=CC=C(C2CCCC2)C=C1)C1=N[N-]N=N1	REAL000000004655	1	45	-1.0	-46.07	357.78	6.84	-39.23
CCCC(NC(=O)C1=CC=C(C2CCCC2)C=C1)C1=NNN=N1	REAL000000004655	1	46	0.0	-10.13	361.86	6.86	-3.27
CCCC(NC(=O)C1CCN(C2=CC=CC=C2Cl)C1)C1=NN=N[N-]1	REAL000000004656	0	44	-1.0	-45.93	371.12	4.90	-41.03
CCCC(NC(=O)C1CCN(C2=CC=CC=C2Cl)C1)C1=N[N-]N=N1	REAL000000004656	1	44	-1.0	-45.92	371.06	4.90	-41.02
CCCC(NC(=O)C1CCN(C2=CC=CC=C2Cl)C1)C1=NNN=N1	REAL000000004656	1	45	0.0	-8.55	367.30	4.59	-3.96
CCCC(NC(=O)C1=CC2=CC(C)=CC=C2S1)C1=NN=N[N-]1	REAL000000004657	0	38	-1.0	-46.37	334.81	5.72	-40.65
CCCC(NC(=O)C1=CC2=CC(C)=CC=C2S1)C1=N[N-]N=N1	REAL000000004657	1	38	-1.0	-46.38	334.75	5.71	-40.67
CCCC(NC(=O)C1=CC2=CC(C)=CC=C2S1)C1=NNN=N1	REAL000000004657	1	39	0.0	-10.14	338.19	5.73	-4.41
CCCC(NC(=O)CCCC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL000000004658	0	41	-1.0	-46.84	354.56	6.28	-40.56
CCCC(NC(=O)CCCC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL000000004658	1	41	-1.0	-46.83	354.51	6.27	-40.56
CCCC(NC(=O)CCCC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000004658	1	42	0.0	-9.32	350.75	5.95	-3.37
CCCC(NC(=O)CCCN1C(C)=CC(=O)C=C1C)C1=NN=N[N-]1	REAL000000004659	0	47	-1.0	-60.29	378.31	5.32	-54.97
CCCC(NC(=O)CCCN1C(C)=CC(=O)C=C1C)C1=N[N-]N=N1	REAL000000004659	1	47	-1.0	-60.28	378.26	5.32	-54.97
CCCC(NC(=O)CCCN1C(C)=CC(=O)C=C1C)C1=NNN=N1	REAL000000004659	1	48	0.0	-28.99	381.69	5.33	-23.66
CCCC(NC(=O)COC1=CC(F)=CC(F)=C1)C1=NN=N[N-]1	REAL000000004660	0	36	-1.0	-46.41	320.72	4.36	-42.05
CCCC(NC(=O)COC1=CC(F)=CC(F)=C1)C1=N[N-]N=N1	REAL000000004660	1	36	-1.0	-46.41	320.66	4.35	-42.06
CCCC(NC(=O)COC1=CC(F)=CC(F)=C1)C1=NNN=N1	REAL000000004660	1	37	0.0	-10.07	316.87	3.93	-6.14
CCCC(NC(=O)C1CCN(C2=CC=CC=C2F)C1)C1=NN=N[N-]1	REAL000000004661	0	44	-1.0	-46.44	361.38	4.23	-42.21
CCCC(NC(=O)C1CCN(C2=CC=CC=C2F)C1)C1=N[N-]N=N1	REAL000000004661	1	44	-1.0	-46.43	361.33	4.22	-42.21
CCCC(NC(=O)C1CCN(C2=CC=CC=C2F)C1)C1=NNN=N1	REAL000000004661	1	45	0.0	-12.87	364.76	4.24	-8.63
CCCC(NC(=O)C1=C(CC(=O)OC)OC=C1C)C1=NN=N[N-]1	REAL000000004662	0	41	-1.0	-50.95	358.41	3.85	-47.10
CCCC(NC(=O)C1=C(CC(=O)OC)OC=C1C)C1=N[N-]N=N1	REAL000000004662	1	41	-1.0	-50.96	358.35	3.85	-47.11
CCCC(NC(=O)C1=C(CC(=O)OC)OC=C1C)C1=NNN=N1	REAL000000004662	1	42	0.0	-14.24	354.59	3.53	-10.72
CCCC(NC(=O)C1=CC=C(C2=CCCC2)C=C1)C1=NN=N[N-]1	REAL000000004663	0	43	-1.0	-46.04	355.04	6.97	-39.07
CCCC(NC(=O)C1=CC=C(C2=CCCC2)C=C1)C1=N[N-]N=N1	REAL000000004663	1	43	-1.0	-46.04	354.98	6.97	-39.07
CCCC(NC(=O)C1=CC=C(C2=CCCC2)C=C1)C1=NNN=N1	REAL000000004663	1	44	0.0	-7.18	351.25	6.65	-0.53
CCCC(NC(=O)C1=CC=C(C(C)(C)C)C(Cl)=C1)C1=NN=N[N-]1	REAL000000004664	0	44	-1.0	-45.90	357.82	6.19	-39.71
CCCC(NC(=O)C1=CC=C(C(C)(C)C)C(Cl)=C1)C1=N[N-]N=N1	REAL000000004664	1	44	-1.0	-45.91	357.76	6.18	-39.72
CCCC(NC(=O)C1=CC=C(C(C)(C)C)C(Cl)=C1)C1=NNN=N1	REAL000000004664	1	45	0.0	-6.26	353.99	5.87	-0.39
CCCC(NC(=O)C1=CON=C1C(F)(F)F)C1=NN=N[N-]1	REAL000000004665	0	31	-1.0	-48.98	290.98	2.09	-46.89
CCCC(NC(=O)C1=CON=C1C(F)(F)F)C1=N[N-]N=N1	REAL000000004665	1	31	-1.0	-48.97	290.92	2.09	-46.88
CCCC(NC(=O)C1=CON=C1C(F)(F)F)C1=NNN=N1	REAL000000004665	1	32	0.0	-16.92	294.38	2.10	-14.81
CCCC(NC(=O)C1=NC(N)=NC(N(C)C)=N1)C1=NN=N[N-]1	REAL000000004666	0	39	-1.0	-48.53	334.03	4.39	-44.14
CCCC(NC(=O)C1=NC(N)=NC(N(C)C)=N1)C1=N[N-]N=N1	REAL000000004666	1	39	-1.0	-48.52	333.97	4.39	-44.13
CCCC(NC(=O)C1=NC(N)=NC(N(C)C)=N1)C1=NNN=N1	REAL000000004666	1	40	0.0	-13.42	337.41	4.40	-9.02
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=NC=C1Cl)C1=NN=N[N-]1	REAL000000004667	0	37	-1.0	-52.60	344.03	-0.20	-52.80
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=NC=C1Cl)C1=N[N-]N=N1	REAL000000004667	1	37	-1.0	-52.59	343.97	-0.21	-52.80
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=NC=C1Cl)C1=NNN=N1	REAL000000004667	1	38	0.0	-15.47	340.21	-0.52	-15.99
CCCC(NC(=O)CN1C(=O)C(F)(F)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000004668	0	41	-1.0	-58.53	358.12	3.37	-55.15
CCCC(NC(=O)CN1C(=O)C(F)(F)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000004668	1	41	-1.0	-58.51	358.07	3.38	-55.14
CCCC(NC(=O)CN1C(=O)C(F)(F)OC2=CC=CC=C21)C1=NNN=N1	REAL000000004668	1	42	0.0	-20.71	361.51	3.38	-17.33
CCCC(NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000004669	0	59	-1.0	-51.21	455.67	6.69	-44.51
CCCC(NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000004669	1	59	-1.0	-51.20	455.61	6.70	-44.50
CCCC(NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000004669	1	60	0.0	-16.00	459.05	6.70	-9.30
CCCC(NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000004670	0	54	-1.0	-50.09	412.36	2.12	-47.97
CCCC(NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000004670	1	54	-1.0	-50.09	412.31	2.11	-47.98
CCCC(NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000004670	1	55	0.0	-14.75	415.74	2.13	-12.62
CCCC(NC(=O)CNS(=O)(=O)N(C)C)C1=NN=N[N-]1	REAL000000004671	0	38	-1.0	-47.75	329.35	-2.70	-50.46
CCCC(NC(=O)CNS(=O)(=O)N(C)C)C1=N[N-]N=N1	REAL000000004671	1	38	-1.0	-47.75	329.29	-2.70	-50.45
CCCC(NC(=O)CNS(=O)(=O)N(C)C)C1=NNN=N1	REAL000000004671	1	39	0.0	-17.42	333.55	-2.73	-20.15
CCCC(NC(=O)C1=C(Br)SC(C)=N1)C1=NN=N[N-]1	REAL000000004672	0	31	-1.0	-46.41	301.32	2.09	-44.32
CCCC(NC(=O)C1=C(Br)SC(C)=N1)C1=N[N-]N=N1	REAL000000004672	1	31	-1.0	-46.41	301.26	2.08	-44.32
CCCC(NC(=O)C1=C(Br)SC(C)=N1)C1=NNN=N1	REAL000000004672	1	32	0.0	-10.18	304.70	2.10	-8.08
CCCC(NC(=O)C1=CN=C2NC(=O)NC2=C1)C1=NN=N[N-]1	REAL000000004673	0	35	-1.0	-44.94	305.02	-0.31	-45.25
CCCC(NC(=O)C1=CN=C2NC(=O)NC2=C1)C1=N[N-]N=N1	REAL000000004673	1	35	-1.0	-44.94	304.97	-0.30	-45.24
CCCC(NC(=O)C1=CN=C2NC(=O)NC2=C1)C1=NNN=N1	REAL000000004673	1	36	0.0	-14.09	308.40	-0.30	-14.39
CCCC(NC(=O)C1=CC=NC(C2=CC=C(Cl)C=C2)=N1)C1=NN=N[N-]1	REAL000000004674	0	40	-1.0	-43.90	362.84	5.49	-38.41
CCCC(NC(=O)C1=CC=NC(C2=CC=C(Cl)C=C2)=N1)C1=N[N-]N=N1	REAL000000004674	1	40	-1.0	-43.90	362.78	5.49	-38.41
CCCC(NC(=O)C1=CC=NC(C2=CC=C(Cl)C=C2)=N1)C1=NNN=N1	REAL000000004674	1	41	0.0	-8.06	359.04	5.16	-2.89
CCCC(NC(=O)C1=CC=NC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000004675	0	34	-1.0	-45.45	309.26	2.91	-42.55
CCCC(NC(=O)C1=CC=NC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000004675	1	34	-1.0	-45.45	309.20	2.90	-42.56
CCCC(NC(=O)C1=CC=NC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000004675	1	35	0.0	-13.88	313.41	2.98	-10.90
CCCC(NC(=O)C1=CC=CC2=C1NC(=O)N2)C1=NN=N[N-]1	REAL000000004676	0	36	-1.0	-52.69	307.85	0.65	-52.04
CCCC(NC(=O)C1=CC=CC2=C1NC(=O)N2)C1=N[N-]N=N1	REAL000000004676	1	36	-1.0	-52.69	307.79	0.64	-52.04
CCCC(NC(=O)C1=CC=CC2=C1NC(=O)N2)C1=NNN=N1	REAL000000004676	1	37	0.0	-17.91	311.23	0.66	-17.25
CCCC(NC(=O)C1=CN=CC(S(C)(=O)=O)=N1)C1=NN=N[N-]1	REAL000000004677	0	36	-1.0	-53.10	328.21	-2.57	-55.66
CCCC(NC(=O)C1=CN=CC(S(C)(=O)=O)=N1)C1=N[N-]N=N1	REAL000000004677	1	36	-1.0	-53.09	328.15	-2.56	-55.66
CCCC(NC(=O)C1=CN=CC(S(C)(=O)=O)=N1)C1=NNN=N1	REAL000000004677	1	37	0.0	-15.97	331.59	-2.56	-18.52
CCCC(NC(=O)C1=CC=C(NC2=NC(C)=CS2)C=C1)C1=NN=N[N-]1	REAL000000004678	0	43	-1.0	-47.56	371.22	4.68	-42.89
CCCC(NC(=O)C1=CC=C(NC2=NC(C)=CS2)C=C1)C1=N[N-]N=N1	REAL000000004678	1	43	-1.0	-47.56	371.16	4.67	-42.89
CCCC(NC(=O)C1=CC=C(NC2=NC(C)=CS2)C=C1)C1=NNN=N1	REAL000000004678	1	44	0.0	-13.32	374.60	4.69	-8.64
CCCC(NC(=O)C1=NC(N)=NC(N2CCOCC2)=N1)C1=NN=N[N-]1	REAL000000004679	0	44	-1.0	-47.60	366.03	2.28	-45.32
CCCC(NC(=O)C1=NC(N)=NC(N2CCOCC2)=N1)C1=N[N-]N=N1	REAL000000004679	1	44	-1.0	-47.60	365.97	2.27	-45.33
CCCC(NC(=O)C1=NC(N)=NC(N2CCOCC2)=N1)C1=NNN=N1	REAL000000004679	1	45	0.0	-13.23	369.42	2.28	-10.95
CCCC(NC(=O)C1=CN=C(OCC(F)F)C=N1)C1=NN=N[N-]1	REAL000000004680	0	37	-1.0	-45.47	333.42	-0.21	-45.68
CCCC(NC(=O)C1=CN=C(OCC(F)F)C=N1)C1=N[N-]N=N1	REAL000000004680	1	37	-1.0	-45.47	333.37	-0.21	-45.69
CCCC(NC(=O)C1=CN=C(OCC(F)F)C=N1)C1=NNN=N1	REAL000000004680	1	38	0.0	-9.65	329.62	-0.53	-10.18
CCCC(NC(=O)C1=CN(C2CCOCC2)N=N1)C1=NN=N[N-]1	REAL000000004681	0	42	-1.0	-46.03	348.18	0.82	-45.21
CCCC(NC(=O)C1=CN(C2CCOCC2)N=N1)C1=N[N-]N=N1	REAL000000004681	1	42	-1.0	-46.03	348.13	0.82	-45.21
CCCC(NC(=O)C1=CN(C2CCOCC2)N=N1)C1=NNN=N1	REAL000000004681	1	43	0.0	-11.04	351.52	0.82	-10.22
CCCC(NC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C)C1=NN=N[N-]1	REAL000000004682	0	46	-1.0	-52.09	376.94	0.76	-51.34
CCCC(NC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C)C1=N[N-]N=N1	REAL000000004682	1	46	-1.0	-52.09	376.88	0.75	-51.35
CCCC(NC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C)C1=NNN=N1	REAL000000004682	1	47	0.0	-21.46	387.85	0.66	-20.79
CCCC(NC(=O)C1=CC2=CC=CC(C)=C2S1)C1=NN=N[N-]1	REAL000000004693	0	38	-1.0	-46.87	333.74	5.69	-41.18
CCCC(NC(=O)C1=CC2=CC=CC(C)=C2S1)C1=N[N-]N=N1	REAL000000004693	1	38	-1.0	-46.87	333.68	5.68	-41.19
CCCC(NC(=O)C1=CC2=CC=CC(C)=C2S1)C1=NNN=N1	REAL000000004693	1	39	0.0	-10.46	337.12	5.70	-4.76
CCCC(NC(=O)C1=C(Br)N=NN1C)C1=NN=N[N-]1	REAL000000004694	0	31	-1.0	-44.67	296.14	0.40	-44.27
CCCC(NC(=O)C1=C(Br)N=NN1C)C1=N[N-]N=N1	REAL000000004694	1	31	-1.0	-44.66	296.08	0.39	-44.27
CCCC(NC(=O)C1=C(Br)N=NN1C)C1=NNN=N1	REAL000000004694	1	32	0.0	-10.06	291.91	0.09	-9.97
CCCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000004695	0	48	0.0	-60.49	378.08	6.47	-54.02
CCCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000004695	1	48	0.0	-59.97	379.55	6.57	-53.40
CCCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000004695	1	48	0.0	-60.48	378.02	6.47	-54.01
CCCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000004695	1	48	0.0	-59.95	379.49	6.58	-53.38
CCCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000004695	1	49	1.0	-42.27	381.13	6.48	-35.79
CCCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000004695	1	49	1.0	-42.48	382.92	6.60	-35.89
CCCC(NC(=O)C1=NC=C(Br)S1)C1=NN=N[N-]1	REAL000000004696	0	28	-1.0	-44.51	283.41	1.43	-43.08
CCCC(NC(=O)C1=NC=C(Br)S1)C1=N[N-]N=N1	REAL000000004696	1	28	-1.0	-44.51	283.35	1.42	-43.09
CCCC(NC(=O)C1=NC=C(Br)S1)C1=NNN=N1	REAL000000004696	1	29	0.0	-11.13	286.79	1.44	-9.69
CCCC(NC(=O)C1=CC=CC2=C1NC(=O)C=C2)C1=NN=N[N-]1	REAL000000004697	0	38	-1.0	-59.76	320.80	3.07	-56.69
CCCC(NC(=O)C1=CC=CC2=C1NC(=O)C=C2)C1=N[N-]N=N1	REAL000000004697	1	38	-1.0	-59.76	320.74	3.06	-56.70
CCCC(NC(=O)C1=CC=CC2=C1NC(=O)C=C2)C1=NNN=N1	REAL000000004697	1	39	0.0	-17.86	316.98	2.75	-15.10
CCCC(NC(=O)CCOC1=CC=C2C=CC=CC2=C1)C1=NN=N[N-]1	REAL000000004698	0	45	-1.0	-46.22	374.87	6.22	-40.00
CCCC(NC(=O)CCOC1=CC=C2C=CC=CC2=C1)C1=N[N-]N=N1	REAL000000004698	1	45	-1.0	-46.22	374.81	6.21	-40.01
CCCC(NC(=O)CCOC1=CC=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000004698	1	46	0.0	-12.09	378.24	6.22	-5.88
CCCC(NC(=O)C1=C(Br)C=C2C=CC=CC2=N1)C1=NN=N[N-]1	REAL000000004699	0	37	-1.0	-48.55	333.98	4.70	-43.86
CCCC(NC(=O)C1=C(Br)C=C2C=CC=CC2=N1)C1=N[N-]N=N1	REAL000000004699	1	37	-1.0	-48.56	333.92	4.69	-43.87
CCCC(NC(=O)C1=C(Br)C=C2C=CC=CC2=N1)C1=NNN=N1	REAL000000004699	1	38	0.0	-9.09	330.17	4.37	-4.72
CCCC(NC(=O)[C@H](C)OC1=C2C=CC=CC2=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000004700	0	45	-1.0	-48.94	383.92	7.55	-41.39
CCCC(NC(=O)[C@H](C)OC1=C2C=CC=CC2=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000004700	1	45	-1.0	-48.94	383.87	7.54	-41.39
CCCC(NC(=O)[C@H](C)OC1=C2C=CC=CC2=C(Cl)C=C1)C1=NNN=N1	REAL000000004700	1	46	0.0	-14.51	387.30	7.56	-6.95
CCCC(NC(=O)C1=C2N=CN(C)C2=NC=C1)C1=NN=N[N-]1	REAL000000004701	0	37	-1.0	-57.99	317.47	4.30	-53.69
CCCC(NC(=O)C1=C2N=CN(C)C2=NC=C1)C1=N[N-]N=N1	REAL000000004701	1	37	-1.0	-57.99	317.42	4.29	-53.70
CCCC(NC(=O)C1=C2N=CN(C)C2=NC=C1)C1=NNN=N1	REAL000000004701	1	38	0.0	-20.91	320.85	4.31	-16.60
CCCC(NC(=O)C1=CC=C2NC(=O)CSC2=C1)C1=NN=N[N-]1	REAL000000004702	0	38	-1.0	-48.76	334.33	2.68	-46.07
CCCC(NC(=O)C1=CC=C2NC(=O)CSC2=C1)C1=N[N-]N=N1	REAL000000004702	1	38	-1.0	-48.75	334.27	2.68	-46.08
CCCC(NC(=O)C1=CC=C2NC(=O)CSC2=C1)C1=NNN=N1	REAL000000004702	1	39	0.0	-15.12	337.72	2.70	-12.43
CCCC1=NN=C(SCC(=O)NC(CCC)C2=NN=N[N-]2)N1N	REAL000000004703	0	43	-1.0	-46.41	375.88	3.40	-43.01
CCCC1=NN=C(SCC(=O)NC(CCC)C2=N[N-]N=N2)N1N	REAL000000004703	1	43	-1.0	-46.41	375.82	3.40	-43.00
CCCC1=NN=C(SCC(=O)NC(CCC)C2=NNN=N2)N1N	REAL000000004703	1	44	0.0	-12.75	372.15	3.09	-9.66
CCCC(NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1C)C1=NN=N[N-]1	REAL000000004704	0	55	-1.0	-48.54	417.23	4.99	-43.55
CCCC(NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1C)C1=N[N-]N=N1	REAL000000004704	1	55	-1.0	-48.54	417.17	4.99	-43.55
CCCC(NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1C)C1=NNN=N1	REAL000000004704	1	56	0.0	-11.25	401.62	5.08	-6.17
CCCC(NC(=O)CC1=CC=C(C)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000004705	0	40	-1.0	-46.78	343.19	5.50	-41.28
CCCC(NC(=O)CC1=CC=C(C)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000004705	1	40	-1.0	-46.77	343.14	5.50	-41.28
CCCC(NC(=O)CC1=CC=C(C)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000004705	1	41	0.0	-15.74	346.57	5.50	-10.24
CCCC(NC(=O)C1=CC=C2OCC(C)(C)C2=C1)C1=NN=N[N-]1	REAL000000004706	0	43	-1.0	-46.98	351.15	4.63	-42.34
CCCC(NC(=O)C1=CC=C2OCC(C)(C)C2=C1)C1=N[N-]N=N1	REAL000000004706	1	43	-1.0	-46.97	351.09	4.63	-42.34
CCCC(NC(=O)C1=CC=C2OCC(C)(C)C2=C1)C1=NNN=N1	REAL000000004706	1	44	0.0	-11.62	354.44	4.64	-6.98
CCCC(NC(=O)CC1=CC=C(C)N=C1Cl)C1=NN=N[N-]1	REAL000000004707	0	37	-1.0	-53.00	329.53	3.49	-49.51
CCCC(NC(=O)CC1=CC=C(C)N=C1Cl)C1=N[N-]N=N1	REAL000000004707	1	37	-1.0	-53.00	329.47	3.48	-49.51
CCCC(NC(=O)CC1=CC=C(C)N=C1Cl)C1=NNN=N1	REAL000000004707	1	38	0.0	-15.83	332.90	3.50	-12.33
CCCC(NC(=O)C1CCOC(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL000000004708	0	44	-1.0	-52.60	363.22	4.96	-47.63
CCCC(NC(=O)C1CCOC(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL000000004708	1	44	-1.0	-52.59	363.16	4.95	-47.64
CCCC(NC(=O)C1CCOC(C2=CC=CC=C2)O1)C1=NNN=N1	REAL000000004708	1	45	0.0	-14.24	359.40	4.74	-9.50
CCCC(NC(=O)C1CCC2=C(C1)N(C)N=N2)C1=NN=N[N-]1	REAL000000004709	0	41	-1.0	-46.76	334.13	2.42	-44.35
CCCC(NC(=O)C1CCC2=C(C1)N(C)N=N2)C1=N[N-]N=N1	REAL000000004709	1	41	-1.0	-46.76	334.08	2.42	-44.34
CCCC(NC(=O)C1CCC2=C(C1)N(C)N=N2)C1=NNN=N1	REAL000000004709	1	42	0.0	-13.20	330.32	2.11	-11.09
CCCC(NC(=O)C1=C2C=CC=C(OC)C2=NN1)C1=NN=N[N-]1	REAL000000004710	0	39	-1.0	-48.00	330.84	1.65	-46.35
CCCC(NC(=O)C1=C2C=CC=C(OC)C2=NN1)C1=N[N-]N=N1	REAL000000004710	1	39	-1.0	-47.99	330.78	1.64	-46.35
CCCC(NC(=O)C1=C2C=CC=C(OC)C2=NN1)C1=NNN=N1	REAL000000004710	1	40	0.0	-14.38	334.22	1.66	-12.72
CCCC(NC(=O)C(F)C1CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000004712	0	49	-1.0	-52.40	396.85	3.63	-48.77
CCCC(NC(=O)C(F)C1CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000004712	1	49	-1.0	-52.39	396.80	3.64	-48.76
CCCC(NC(=O)C(F)C1CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000004712	1	50	0.0	-14.35	392.47	3.31	-11.04
CCCC(NC(=O)C1=CC(Cl)=C(Cl)N=C1C)C1=NN=N[N-]1	REAL000000004713	0	34	-1.0	-39.64	317.72	3.42	-36.21
CCCC(NC(=O)C1=CC(Cl)=C(Cl)N=C1C)C1=N[N-]N=N1	REAL000000004713	1	34	-1.0	-39.63	317.66	3.41	-36.22
CCCC(NC(=O)C1=CC(Cl)=C(Cl)N=C1C)C1=NNN=N1	REAL000000004713	1	35	0.0	-9.12	321.10	3.43	-5.69
CCCC(NC(=O)C1=C(C)N(CC2=CC(C)=NO2)N=N1)C1=NN=N[N-]1	REAL000000004714	0	43	-1.0	-50.49	370.64	2.54	-47.95
CCCC(NC(=O)C1=C(C)N(CC2=CC(C)=NO2)N=N1)C1=N[N-]N=N1	REAL000000004714	1	43	-1.0	-50.49	370.58	2.54	-47.96
CCCC(NC(=O)C1=C(C)N(CC2=CC(C)=NO2)N=N1)C1=NNN=N1	REAL000000004714	1	44	0.0	-14.62	374.01	2.54	-12.08
CCCC(NC(=O)C1=CN=C(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL000000004715	0	42	-1.0	-43.62	346.22	3.63	-39.99
CCCC(NC(=O)C1=CN=C(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL000000004715	1	42	-1.0	-43.62	346.16	3.62	-40.00
CCCC(NC(=O)C1=CN=C(C(C)(C)C)N=C1)C1=NNN=N1	REAL000000004715	1	43	0.0	-7.76	342.40	3.31	-4.44
CCCC(NC(=O)C1=CC=C(C(=O)OCC)C=C1)C1=NN=N[N-]1	REAL000000004716	0	41	-1.0	-46.30	350.96	5.24	-41.07
CCCC(NC(=O)C1=CC=C(C(=O)OCC)C=C1)C1=N[N-]N=N1	REAL000000004716	1	41	-1.0	-46.30	350.91	5.23	-41.07
CCCC(NC(=O)C1=CC=C(C(=O)OCC)C=C1)C1=NNN=N1	REAL000000004716	1	42	0.0	-13.20	354.34	5.24	-7.95
CCCC(NC(=O)C1=C(C)C2=CC=C(F)C=C2S1)C1=NN=N[N-]1	REAL000000004717	0	38	-1.0	-43.92	334.47	5.73	-38.19
CCCC(NC(=O)C1=C(C)C2=CC=C(F)C=C2S1)C1=N[N-]N=N1	REAL000000004717	1	38	-1.0	-43.93	334.42	5.73	-38.19
CCCC(NC(=O)C1=C(C)C2=CC=C(F)C=C2S1)C1=NNN=N1	REAL000000004717	1	39	0.0	-9.05	337.85	5.74	-3.32
CCCC(NC(=O)C(O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000004718	0	36	-1.0	-44.08	323.30	2.89	-41.19
CCCC(NC(=O)C(O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000004718	1	36	-1.0	-44.09	323.24	2.89	-41.19
CCCC(NC(=O)C(O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000004718	1	37	0.0	-11.83	326.68	2.90	-8.93
CCCC(NC(=O)C1=C2C=CC=C(Br)C2=NC=C1O)C1=NN=N[N-]1	REAL000000004719	0	38	-1.0	-46.02	349.10	1.72	-44.29
CCCC(NC(=O)C1=C2C=CC=C(Br)C2=NC=C1O)C1=N[N-]N=N1	REAL000000004719	1	38	-1.0	-46.02	349.04	1.71	-44.31
CCCC(NC(=O)C1=CN=NC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000004720	0	40	-1.0	-44.23	341.58	4.38	-39.85
CCCC(NC(=O)C1=CN=NC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000004720	1	40	-1.0	-44.22	341.52	4.38	-39.85
CCCC(NC(=O)C1=CN=NC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000004720	1	41	0.0	-12.51	344.95	4.39	-8.12
CCCC(NC(=O)C(C)CC1=C2C=CC=CC2=CN=C1)C1=NN=N[N-]1	REAL000000004721	0	46	-1.0	-48.28	366.61	5.69	-42.59
CCCC(NC(=O)C(C)CC1=C2C=CC=CC2=CN=C1)C1=N[N-]N=N1	REAL000000004721	1	46	-1.0	-48.27	366.56	5.68	-42.59
CCCC(NC(=O)C(C)CC1=C2C=CC=CC2=CN=C1)C1=NNN=N1	REAL000000004721	1	47	0.0	-11.70	369.99	5.70	-6.01
CCCC(NC(=O)CC1=NN=C(C2=CC=CC=C2)N1C)C1=NN=N[N-]1	REAL000000004722	0	44	-1.0	-53.17	368.87	5.68	-47.49
CCCC(NC(=O)CC1=NN=C(C2=CC=CC=C2)N1C)C1=N[N-]N=N1	REAL000000004722	1	44	-1.0	-53.17	368.82	5.67	-47.50
CCCC(NC(=O)CC1=NN=C(C2=CC=CC=C2)N1C)C1=NNN=N1	REAL000000004722	1	45	0.0	-21.59	372.25	5.69	-15.90
CCCC(NC(=O)CC1=C(C(C)=O)OC2=CC(C)=CC=C21)C1=NN=N[N-]1	REAL000000004723	0	46	-1.0	-49.57	388.25	5.96	-43.62
CCCC(NC(=O)CC1=C(C(C)=O)OC2=CC(C)=CC=C21)C1=N[N-]N=N1	REAL000000004723	1	46	-1.0	-49.57	388.19	5.95	-43.62
CCCC(NC(=O)CC1=C(C(C)=O)OC2=CC(C)=CC=C21)C1=NNN=N1	REAL000000004723	1	47	0.0	-11.65	384.83	5.65	-6.00
CCCC(NC(=O)CCSC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000004724	0	39	-1.0	-43.36	355.91	6.12	-37.24
CCCC(NC(=O)CCSC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000004724	1	39	-1.0	-43.35	355.85	6.11	-37.25
CCCC(NC(=O)CCSC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000004724	1	40	0.0	-10.20	359.28	6.13	-4.07
CCCC(NC(=O)C1=CC=C(N(C)C(=O)OC(C)(C)C)S1)C1=NN=N[N-]1	REAL000000004725	0	49	-1.0	-49.37	405.53	5.07	-44.30
CCCC(NC(=O)C1=CC=C(N(C)C(=O)OC(C)(C)C)S1)C1=N[N-]N=N1	REAL000000004725	1	49	-1.0	-49.38	405.47	5.06	-44.31
CCCC(NC(=O)C1=CC=C(N(C)C(=O)OC(C)(C)C)S1)C1=NNN=N1	REAL000000004725	1	50	0.0	-12.04	408.91	5.08	-6.96
CCCC(NC(=O)C1=CN=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000004726	0	34	-1.0	-43.26	308.22	2.84	-40.43
CCCC(NC(=O)C1=CN=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000004726	1	34	-1.0	-43.26	308.16	2.84	-40.43
CCCC(NC(=O)C1=CN=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000004726	1	35	0.0	-7.62	304.39	2.52	-5.10
CCCC(NC(=O)C(O)C1=CC=C(Cl)C=C1F)C1=NN=N[N-]1	REAL000000004727	0	36	-1.0	-44.13	324.35	3.05	-41.09
CCCC(NC(=O)C(O)C1=CC=C(Cl)C=C1F)C1=N[N-]N=N1	REAL000000004727	1	36	-1.0	-44.13	324.29	3.04	-41.09
CCCC(NC(=O)C(O)C1=CC=C(Cl)C=C1F)C1=NNN=N1	REAL000000004727	1	37	0.0	-7.55	320.57	2.62	-4.93
CCCC(NC(=O)C1=CC=C2N=CN(C3=CC=C(Cl)C=C3)C2=C1)C1=NN=N[N-]1	REAL000000004728	0	45	-1.0	-49.18	397.77	8.79	-40.39
CCCC(NC(=O)C1=CC=C2N=CN(C3=CC=C(Cl)C=C3)C2=C1)C1=N[N-]N=N1	REAL000000004728	1	45	-1.0	-49.18	397.71	8.78	-40.40
CCCC(NC(=O)C1=CC=C2N=CN(C3=CC=C(Cl)C=C3)C2=C1)C1=NNN=N1	REAL000000004728	1	46	0.0	-14.26	401.12	8.80	-5.46
CCCC(NC(=O)C1=CC(Cl)=NC=C1Br)C1=NN=N[N-]1	REAL000000004729	0	31	-1.0	-41.25	302.88	2.92	-38.33
CCCC(NC(=O)C1=CC(Cl)=NC=C1Br)C1=N[N-]N=N1	REAL000000004729	1	31	-1.0	-41.24	302.82	2.92	-38.31
CCCC(NC(=O)C1=CC(Cl)=NC=C1Br)C1=NNN=N1	REAL000000004729	1	32	0.0	-9.40	306.26	2.93	-6.46
CCCC(NC(=O)C1=CC2=C(N1)SC(Cl)=C2)C1=NN=N[N-]1	REAL000000004730	0	33	-1.0	-42.99	315.48	3.28	-39.71
CCCC(NC(=O)C1=CC2=C(N1)SC(Cl)=C2)C1=N[N-]N=N1	REAL000000004730	1	33	-1.0	-42.99	315.42	3.28	-39.71
CCCC(NC(=O)C1=CC2=C(N1)SC(Cl)=C2)C1=NNN=N1	REAL000000004730	1	34	0.0	-10.03	318.86	3.29	-6.74
CCCC(NC(=O)C1=C(C)N=C(C(C)(C)OC)S1)C1=NN=N[N-]1	REAL000000004731	0	44	-1.0	-44.60	367.33	2.34	-42.26
CCCC(NC(=O)C1=C(C)N=C(C(C)(C)OC)S1)C1=N[N-]N=N1	REAL000000004731	1	44	-1.0	-44.60	367.27	2.34	-42.25
CCCC(NC(=O)C1=C(C)N=C(C(C)(C)OC)S1)C1=NNN=N1	REAL000000004731	1	45	0.0	-9.64	370.71	2.35	-7.29
CCCC(NC(=O)CN1N=C(C(F)(F)F)C=C1C)C1=NN=N[N-]1	REAL000000004732	0	38	-1.0	-47.10	341.46	3.19	-43.91
CCCC(NC(=O)CN1N=C(C(F)(F)F)C=C1C)C1=N[N-]N=N1	REAL000000004732	1	38	-1.0	-47.10	341.40	3.18	-43.92
CCCC(NC(=O)CN1N=C(C(F)(F)F)C=C1C)C1=NNN=N1	REAL000000004732	1	39	0.0	-18.15	344.84	3.20	-14.95
CCCC(NC(=O)CN1N=C(C(F)(F)F)C(Cl)=C1C)C1=NN=N[N-]1	REAL000000004733	0	38	-1.0	-46.36	357.55	3.68	-42.68
CCCC(NC(=O)CN1N=C(C(F)(F)F)C(Cl)=C1C)C1=N[N-]N=N1	REAL000000004733	1	38	-1.0	-46.36	357.50	3.67	-42.69
CCCC(NC(=O)CN1N=C(C(F)(F)F)C(Cl)=C1C)C1=NNN=N1	REAL000000004733	1	39	0.0	-14.35	353.77	3.35	-11.00
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1F)C1=NN=N[N-]1	REAL000000004734	0	39	-1.0	-49.98	332.41	5.71	-44.27
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1F)C1=N[N-]N=N1	REAL000000004734	1	39	-1.0	-49.98	332.36	5.70	-44.28
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1F)C1=NNN=N1	REAL000000004734	1	40	0.0	-14.72	335.79	5.72	-9.00
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL000000004735	0	39	-1.0	-44.24	348.19	6.28	-37.96
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL000000004735	1	39	-1.0	-44.23	348.13	6.28	-37.95
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000004735	1	40	0.0	-9.61	351.57	6.29	-3.32
CCCC(NC(=O)C(C)N1C=NC2=C(N)N=CN=C21)C1=NN=N[N-]1	REAL000000004736	0	41	-1.0	-46.77	348.71	3.26	-43.51
CCCC(NC(=O)C(C)N1C=NC2=C(N)N=CN=C21)C1=N[N-]N=N1	REAL000000004736	1	41	-1.0	-46.79	348.65	3.26	-43.53
CCCC(NC(=O)C(C)N1C=NC2=C(N)N=CN=C21)C1=NNN=N1	REAL000000004736	1	42	0.0	-13.52	344.91	2.94	-10.58
CCCC(NC(=O)CC(C1=CC=C(O)C=C1)C1CC1)C1=NN=N[N-]1	REAL000000004737	0	46	-1.0	-46.34	376.55	4.20	-42.14
CCCC(NC(=O)CC(C1=CC=C(O)C=C1)C1CC1)C1=N[N-]N=N1	REAL000000004737	1	46	-1.0	-46.33	376.49	4.19	-42.14
CCCC(NC(=O)CC(C1=CC=C(O)C=C1)C1CC1)C1=NNN=N1	REAL000000004737	1	47	0.0	-11.95	379.08	4.13	-7.82
CCCC(NC(=O)C1CCC2=NN=NN2CC1)C1=NN=N[N-]1	REAL000000004738	0	40	-1.0	-56.65	323.54	2.09	-54.56
CCCC(NC(=O)C1CCC2=NN=NN2CC1)C1=N[N-]N=N1	REAL000000004738	1	40	-1.0	-56.65	323.48	2.09	-54.56
CCCC(NC(=O)C1CCC2=NN=NN2CC1)C1=NNN=N1	REAL000000004738	1	41	0.0	-20.59	326.91	2.09	-18.50
CCCC(NC(=O)C1=CN=C(C2(C)OCCO2)S1)C1=NN=N[N-]1	REAL000000004739	0	40	-1.0	-47.65	350.68	1.13	-46.53
CCCC(NC(=O)C1=CN=C(C2(C)OCCO2)S1)C1=N[N-]N=N1	REAL000000004739	1	40	-1.0	-47.65	350.62	1.13	-46.52
CCCC(NC(=O)C1=CN=C(C2(C)OCCO2)S1)C1=NNN=N1	REAL000000004739	1	41	0.0	-13.20	354.10	1.14	-12.06
CCCC(NC(=O)CCCC(O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000004740	0	45	-1.0	-48.84	370.48	3.58	-45.26
CCCC(NC(=O)CCCC(O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000004740	1	45	-1.0	-48.84	370.42	3.57	-45.26
CCCC(NC(=O)CCCC(O)C1=CC=CC=C1)C1=NNN=N1	REAL000000004740	1	46	0.0	-13.34	374.05	3.56	-9.78
CCCC(NC(=O)C1CN(C(=O)C2CCCCC2)C1)C1=NN=N[N-]1	REAL000000004741	0	49	-1.0	-50.41	389.32	4.47	-45.94
CCCC(NC(=O)C1CN(C(=O)C2CCCCC2)C1)C1=N[N-]N=N1	REAL000000004741	1	49	-1.0	-50.41	389.26	4.47	-45.93
CCCC(NC(=O)C1CN(C(=O)C2CCCCC2)C1)C1=NNN=N1	REAL000000004741	1	50	0.0	-13.68	381.95	4.02	-9.65
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL000000004742	0	43	-1.0	-48.32	356.39	4.98	-43.34
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL000000004742	1	43	-1.0	-48.31	356.33	4.97	-43.34
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000004742	1	44	0.0	-9.99	352.61	4.65	-5.33
CCCC(NC(=O)C1=CC=C(I)C=N1)C1=NN=N[N-]1	REAL000000004743	0	31	-1.0	-42.89	299.38	3.00	-39.89
CCCC(NC(=O)C1=CC=C(I)C=N1)C1=N[N-]N=N1	REAL000000004743	1	31	-1.0	-42.88	299.33	3.00	-39.88
CCCC(NC(=O)C1=CC=C(I)C=N1)C1=NNN=N1	REAL000000004743	1	32	0.0	-8.02	302.75	3.01	-5.02
CCCC(NC(=O)C1=CC=C(C(C)C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000004744	0	41	-1.0	-46.01	349.31	5.83	-40.18
CCCC(NC(=O)C1=CC=C(C(C)C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000004744	1	41	-1.0	-46.02	349.26	5.82	-40.20
CCCC(NC(=O)C1=CC=C(C(C)C(F)(F)F)C=C1)C1=NNN=N1	REAL000000004744	1	42	0.0	-11.35	352.70	5.84	-5.50
CCCC(NC(=O)C1=C(C)N=C2C=CC=CC2=C1)C1=NN=N[N-]1	REAL000000004745	0	40	-1.0	-46.97	331.91	4.67	-42.30
CCCC(NC(=O)C1=C(C)N=C2C=CC=CC2=C1)C1=N[N-]N=N1	REAL000000004745	1	40	-1.0	-46.97	331.85	4.67	-42.30
CCCC(NC(=O)C1=C(C)N=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000004745	1	41	0.0	-13.65	335.27	4.68	-8.97
CCCC(NC(=O)CC1=CC=CC=C1OC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000004746	0	49	-1.0	-48.88	408.86	7.90	-40.98
CCCC(NC(=O)CC1=CC=CC=C1OC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000004746	1	49	-1.0	-48.89	408.80	7.90	-40.99
CCCC(NC(=O)CC1=CC=CC=C1OC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000004746	1	50	0.0	-12.86	412.23	7.90	-4.95
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CC2CC2)C=C1)C1=NN=N[N-]1	REAL000000004747	0	45	-1.0	-52.45	388.06	3.66	-48.79
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CC2CC2)C=C1)C1=N[N-]N=N1	REAL000000004747	1	45	-1.0	-52.44	388.01	3.65	-48.79
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CC2CC2)C=C1)C1=NNN=N1	REAL000000004747	1	46	0.0	-14.46	384.25	3.33	-11.13
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL000000004748	0	42	-1.0	-50.88	360.20	6.47	-44.41
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL000000004748	1	42	-1.0	-50.88	360.14	6.47	-44.41
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F)C1=NNN=N1	REAL000000004748	1	43	0.0	-11.53	356.39	6.16	-5.37
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000004749	0	42	-1.0	-46.41	365.62	6.66	-39.74
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000004749	1	42	-1.0	-46.41	365.57	6.66	-39.75
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000004749	1	43	0.0	-11.05	369.02	6.67	-4.38
CCCC(NC(=O)CC1CS(=O)(=O)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL000000004750	0	43	-1.0	-57.25	370.21	1.98	-55.27
CCCC(NC(=O)CC1CS(=O)(=O)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL000000004750	1	43	-1.0	-57.24	370.16	1.98	-55.27
CCCC(NC(=O)CC1CS(=O)(=O)C2=CC=CC=C2O1)C1=NNN=N1	REAL000000004750	1	44	0.0	-22.79	373.62	1.99	-20.80
CCCC(NC(=O)COCC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000004751	0	39	-1.0	-49.12	350.19	5.21	-43.91
CCCC(NC(=O)COCC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000004751	1	39	-1.0	-49.12	350.13	5.21	-43.91
CCCC(NC(=O)COCC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000004751	1	40	0.0	-14.67	353.56	5.22	-9.45
CCCC(NC(=O)C1=CC=C(OC2=CC=C(C)C=C2)C=N1)C1=NN=N[N-]1	REAL000000004752	0	45	-1.0	-44.71	381.65	5.45	-39.27
CCCC(NC(=O)C1=CC=C(OC2=CC=C(C)C=C2)C=N1)C1=N[N-]N=N1	REAL000000004752	1	45	-1.0	-44.71	381.59	5.45	-39.27
CCCC(NC(=O)C1=CC=C(OC2=CC=C(C)C=C2)C=N1)C1=NNN=N1	REAL000000004752	1	46	0.0	-7.92	377.89	5.08	-2.84
CCCC(NC(=O)C1=CC(Br)=CO1)C1=NN=N[N-]1	REAL000000004753	0	29	-1.0	-43.56	280.29	2.27	-41.29
CCCC(NC(=O)C1=CC(Br)=CO1)C1=N[N-]N=N1	REAL000000004753	1	29	-1.0	-43.56	280.23	2.26	-41.30
CCCC(NC(=O)C1=CC(Br)=CO1)C1=NNN=N1	REAL000000004753	1	30	0.0	-9.63	283.67	2.28	-7.35
CCCC(NC(=O)C1=CC=C(NC2=NC=CS2)C=C1F)C1=NN=N[N-]1	REAL000000004754	0	40	-1.0	-51.20	353.91	4.15	-47.05
CCCC(NC(=O)C1=CC=C(NC2=NC=CS2)C=C1F)C1=N[N-]N=N1	REAL000000004754	1	40	-1.0	-51.20	353.85	4.15	-47.05
CCCC(NC(=O)C1=CC=C(NC2=NC=CS2)C=C1F)C1=NNN=N1	REAL000000004754	1	41	0.0	-16.31	357.29	4.16	-12.15
CCCC(NC(=O)C1=CC=C(OC2=CC=CC(F)=C2)C=N1)C1=NN=N[N-]1	REAL000000004755	0	42	-1.0	-43.32	366.66	4.84	-38.48
CCCC(NC(=O)C1=CC=C(OC2=CC=CC(F)=C2)C=N1)C1=N[N-]N=N1	REAL000000004755	1	42	-1.0	-43.32	366.60	4.84	-38.49
CCCC(NC(=O)C1=CC=C(OC2=CC=CC(F)=C2)C=N1)C1=NNN=N1	REAL000000004755	1	43	0.0	-10.35	371.78	4.90	-5.45
CCCC(NC(=O)C1=C(C)N(NC(N)=O)C(C)=C1)C1=NN=N[N-]1	REAL000000004756	0	42	-1.0	-51.30	346.81	0.07	-51.23
CCCC(NC(=O)C1=C(C)N(NC(N)=O)C(C)=C1)C1=N[N-]N=N1	REAL000000004756	1	42	-1.0	-51.31	346.75	0.06	-51.25
CCCC(NC(=O)C1=C(C)N(NC(N)=O)C(C)=C1)C1=NNN=N1	REAL000000004756	1	43	0.0	-13.45	343.01	-0.26	-13.71
CCCC(NC(=O)CC1CCN(OCC)CC1)C1=NN=N[N-]1	REAL000000004757	0	47	-1.0	-46.71	371.01	3.36	-43.35
CCCC(NC(=O)CC1CCN(OCC)CC1)C1=N[N-]N=N1	REAL000000004757	1	47	-1.0	-46.71	370.95	3.35	-43.36
CCCC(NC(=O)CC1CCN(OCC)CC1)C1=NNN=N1	REAL000000004757	1	48	0.0	-11.38	367.56	2.70	-8.68
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2C)C=N1)C1=NN=N[N-]1	REAL000000004758	0	45	-1.0	-45.79	381.16	5.48	-40.31
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2C)C=N1)C1=N[N-]N=N1	REAL000000004758	1	45	-1.0	-45.79	381.11	5.47	-40.32
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2C)C=N1)C1=NNN=N1	REAL000000004758	1	46	0.0	-9.87	384.53	5.49	-4.38
CCCC(NC(=O)CC1=CC=CC=C1OC1CCCC1)C1=NN=N[N-]1	REAL000000004759	0	49	-1.0	-47.05	392.84	6.59	-40.45
CCCC(NC(=O)CC1=CC=CC=C1OC1CCCC1)C1=N[N-]N=N1	REAL000000004759	1	49	-1.0	-47.05	392.79	6.60	-40.45
CCCC(NC(=O)CC1=CC=CC=C1OC1CCCC1)C1=NNN=N1	REAL000000004759	1	50	0.0	-11.35	396.22	6.60	-4.74
CCCC(NC(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=N1)C1=NN=N[N-]1	REAL000000004760	0	42	-1.0	-43.13	376.98	5.28	-37.85
CCCC(NC(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=N1)C1=N[N-]N=N1	REAL000000004760	1	42	-1.0	-43.13	376.92	5.28	-37.85
CCCC(NC(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=N1)C1=NNN=N1	REAL000000004760	1	43	0.0	-9.88	382.10	5.34	-4.54
CCCC(NC(=O)C=CC1=CC=C(C(F)(F)F)C(OC)=C1)C1=NN=N[N-]1	REAL000000004761	0	43	-1.0	-46.49	375.76	5.25	-41.24
CCCC(NC(=O)C=CC1=CC=C(C(F)(F)F)C(OC)=C1)C1=N[N-]N=N1	REAL000000004761	1	43	-1.0	-46.48	375.71	5.25	-41.23
CCCC(NC(=O)C=CC1=CC=C(C(F)(F)F)C(OC)=C1)C1=NNN=N1	REAL000000004761	1	44	0.0	-13.68	379.14	5.26	-8.42
CCCC(NC(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=N1)C1=NN=N[N-]1	REAL000000004762	0	45	-1.0	-44.60	381.65	5.44	-39.16
CCCC(NC(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=N1)C1=N[N-]N=N1	REAL000000004762	1	45	-1.0	-44.60	381.59	5.44	-39.16
CCCC(NC(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=N1)C1=NNN=N1	REAL000000004762	1	46	0.0	-9.82	386.77	5.50	-4.32
CCCC(NC(=O)C1=CC(C)=CC(C(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000004763	0	50	-1.0	-45.25	405.41	7.02	-38.23
CCCC(NC(=O)C1=CC(C)=CC(C(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000004763	1	50	-1.0	-45.26	405.35	7.01	-38.24
CCCC(NC(=O)C1=CC(C)=CC(C(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000004763	1	51	0.0	-8.42	401.60	6.69	-1.72
CCCC(NC(=O)C=CC1=CC=C(C2CC2)C=C1)C1=NN=N[N-]1	REAL000000004764	0	43	-1.0	-46.21	358.07	6.94	-39.28
CCCC(NC(=O)C=CC1=CC=C(C2CC2)C=C1)C1=N[N-]N=N1	REAL000000004764	1	43	-1.0	-46.21	358.02	6.94	-39.27
CCCC(NC(=O)C=CC1=CC=C(C2CC2)C=C1)C1=NNN=N1	REAL000000004764	1	44	0.0	-7.75	354.24	6.62	-1.13
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000004765	0	39	-1.0	-46.12	348.18	6.28	-39.83
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000004765	1	39	-1.0	-46.12	348.12	6.28	-39.83
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000004765	1	40	0.0	-7.70	344.40	5.97	-1.73
CCCC(NC(=O)C1=C(Br)C=C(C)S1)C1=NN=N[N-]1	REAL000000004766	0	32	-1.0	-45.90	305.95	4.06	-41.84
CCCC(NC(=O)C1=C(Br)C=C(C)S1)C1=N[N-]N=N1	REAL000000004766	1	32	-1.0	-45.89	305.90	4.06	-41.83
CCCC(NC(=O)C1=C(Br)C=C(C)S1)C1=NNN=N1	REAL000000004766	1	33	0.0	-10.48	309.36	4.07	-6.41
CCCC(NC(=O)CCC1=C(C(=O)OC)N=CO1)C1=NN=N[N-]1	REAL000000004767	0	40	-1.0	-49.02	348.90	0.44	-48.57
CCCC(NC(=O)CCC1=C(C(=O)OC)N=CO1)C1=N[N-]N=N1	REAL000000004767	1	40	-1.0	-49.01	348.85	0.44	-48.57
CCCC(NC(=O)CCC1=C(C(=O)OC)N=CO1)C1=NNN=N1	REAL000000004767	1	41	0.0	-13.35	345.09	0.12	-13.23
CCCC(NC(=O)C1=C(Br)N=C2CCCCN21)C1=NN=N[N-]1	REAL000000004768	0	39	-1.0	-50.03	343.44	4.15	-45.88
CCCC(NC(=O)C1=C(Br)N=C2CCCCN21)C1=N[N-]N=N1	REAL000000004768	1	39	-1.0	-50.03	343.38	4.15	-45.88
CCCC(NC(=O)C1=C(Br)N=C2CCCCN21)C1=NNN=N1	REAL000000004768	1	40	0.0	-14.50	346.81	4.16	-10.34
CCCC(NC(=O)C(C)=CC1=CC=C(OC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000004769	0	43	-1.0	-46.04	367.44	5.22	-40.82
CCCC(NC(=O)C(C)=CC1=CC=C(OC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000004769	1	43	-1.0	-46.04	367.38	5.22	-40.82
CCCC(NC(=O)C(C)=CC1=CC=C(OC(F)(F)F)C=C1)C1=NNN=N1	REAL000000004769	1	44	0.0	-10.71	370.82	5.23	-5.49
CCCC(NC(=O)C1C[NH+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL000000004770	0	48	0.0	-57.89	366.52	5.43	-52.46
CCCC(NC(=O)C1C[NH+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL000000004770	1	48	0.0	-57.88	366.47	5.42	-52.46
CCCC(NC(=O)C1C[NH+](C2CCCCC2)C1)C1=NNN=N1	REAL000000004770	1	49	1.0	-43.81	369.90	5.44	-38.37
CCCC(NC(=O)C=CC1=CC=C(OC)C(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000004771	0	45	-1.0	-55.24	391.24	-0.37	-55.61
CCCC(NC(=O)C=CC1=CC=C(OC)C(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000004771	1	45	-1.0	-55.24	391.18	-0.37	-55.61
CCCC(NC(=O)C=CC1=CC=C(OC)C(S(N)(=O)=O)=C1)C1=NNN=N1	REAL000000004771	1	46	0.0	-17.95	387.32	-0.70	-18.65
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC=C1[O-])C1=NN=N[N-]1	REAL000000004772	0	37	-2.0	-113.98	333.80	-1.86	-115.83
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC=C1[O-])C1=N[N-]N=N1	REAL000000004772	1	37	-2.0	-113.98	333.75	-1.86	-115.84
CCCC(NC(=O)COC1=CC=C(S(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL000000004773	0	41	-1.0	-53.72	362.12	-0.83	-54.55
CCCC(NC(=O)COC1=CC=C(S(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL000000004773	1	41	-1.0	-53.71	362.06	-0.83	-54.54
CCCC(NC(=O)COC1=CC=C(S(N)(=O)=O)C=C1)C1=NNN=N1	REAL000000004773	1	42	0.0	-21.25	365.44	-0.81	-22.06
CCCC(NC(=O)CSC1=CC=C(S(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL000000004774	0	41	-1.0	-51.44	371.71	-0.24	-51.68
CCCC(NC(=O)CSC1=CC=C(S(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL000000004774	1	41	-1.0	-51.43	371.65	-0.25	-51.69
CCCC(NC(=O)CSC1=CC=C(S(N)(=O)=O)C=C1)C1=NNN=N1	REAL000000004774	1	42	0.0	-19.35	375.09	-0.24	-19.59
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C(Cl)=C1)C1=NN=N[N-]1	REAL000000004775	0	37	-1.0	-47.83	341.55	-0.84	-48.67
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C(Cl)=C1)C1=N[N-]N=N1	REAL000000004775	1	37	-1.0	-47.83	341.49	-0.85	-48.68
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C(Cl)=C1)C1=NNN=N1	REAL000000004775	1	38	0.0	-16.31	344.93	-0.83	-17.14
CCCC(NC(=O)C=CC1=CC=C(C(F)(F)F)C(O)=C1)C1=NN=N[N-]1	REAL000000004776	0	40	-1.0	-46.59	357.30	3.09	-43.50
CCCC(NC(=O)C=CC1=CC=C(C(F)(F)F)C(O)=C1)C1=N[N-]N=N1	REAL000000004776	1	40	-1.0	-46.59	357.24	3.08	-43.51
CCCC(NC(=O)C=CC1=CC=C(C(F)(F)F)C(O)=C1)C1=NNN=N1	REAL000000004776	1	41	0.0	-13.62	360.67	3.10	-10.52
CCCC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C1=NN=N[N-]1	REAL000000004777	0	52	0.0	-63.58	389.90	3.23	-60.35
CCCC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C1=N[N-]N=N1	REAL000000004777	1	52	0.0	-63.57	389.84	3.23	-60.34
CCCC(NC(=O)C1=CN(CC(OCC)OCC)N=C1)C1=NN=N[N-]1	REAL000000004778	0	49	-1.0	-47.69	404.85	3.09	-44.60
CCCC(NC(=O)C1=CN(CC(OCC)OCC)N=C1)C1=N[N-]N=N1	REAL000000004778	1	49	-1.0	-47.68	404.79	3.08	-44.60
CCCC(NC(=O)C1=CN(CC(OCC)OCC)N=C1)C1=NNN=N1	REAL000000004778	1	50	0.0	-13.32	406.79	3.25	-10.07
CCCC(NC(=O)C1=CN(CC2(CC)COC2)N=N1)C1=NN=N[N-]1	REAL000000004779	0	45	-1.0	-48.35	368.21	1.52	-46.83
CCCC(NC(=O)C1=CN(CC2(CC)COC2)N=N1)C1=N[N-]N=N1	REAL000000004779	1	45	-1.0	-48.35	368.16	1.52	-46.84
CCCC(NC(=O)C1=CN(CC2(CC)COC2)N=N1)C1=NNN=N1	REAL000000004779	1	46	0.0	-12.22	364.42	1.20	-11.02
CCCC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C1=NN=N[N-]1	REAL000000004780	0	55	0.0	-62.85	411.40	4.04	-58.80
CCCC(NC(=O)C1=CN=CC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL000000004781	0	33	-1.0	-41.55	306.15	1.05	-40.50
CCCC(NC(=O)C1=CN=CC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL000000004781	1	33	-1.0	-41.55	306.09	1.05	-40.50
CCCC(NC(=O)C1=CN=CC(C(F)(F)F)=N1)C1=NNN=N1	REAL000000004781	1	34	0.0	-8.30	309.52	1.06	-7.24
CCCC(NC(=O)C1=CN(CC2=CC=C(Cl)C=C2Cl)N=N1)C1=NN=N[N-]1	REAL000000004782	0	41	-1.0	-47.79	388.05	4.74	-43.05
CCCC(NC(=O)C1=CN(CC2=CC=C(Cl)C=C2Cl)N=N1)C1=N[N-]N=N1	REAL000000004782	1	41	-1.0	-47.78	387.99	4.73	-43.05
CCCC(NC(=O)C1=CN(CC2=CC=C(Cl)C=C2Cl)N=N1)C1=NNN=N1	REAL000000004782	1	42	0.0	-12.38	391.43	4.75	-7.63
CCCC(NC(=O)C1CCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000004783	0	46	-1.0	-61.96	369.50	3.69	-58.26
CCCC(NC(=O)C1CCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000004783	1	46	-1.0	-61.95	369.44	3.68	-58.27
CCCC(NC(=O)C1CCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004783	1	47	0.0	-15.99	365.70	3.26	-12.73
CCCC(NC(=O)C1=CC=C2C(=C1)N=CN=C2NC)C1=NN=N[N-]1	REAL000000004784	0	41	-1.0	-52.57	344.17	3.87	-48.70
CCCC(NC(=O)C1=CC=C2C(=C1)N=CN=C2NC)C1=N[N-]N=N1	REAL000000004784	1	41	-1.0	-52.58	344.11	3.86	-48.71
CCCC(NC(=O)C1=CC=C2C(=C1)N=CN=C2NC)C1=NNN=N1	REAL000000004784	1	42	0.0	-17.87	347.55	3.88	-13.99
CCCC(NC(=O)C1=CC(F)=CC(N2CCOCC2)=C1)C1=NN=N[N-]1	REAL000000004785	0	45	-1.0	-44.55	364.73	2.56	-41.99
CCCC(NC(=O)C1=CC(F)=CC(N2CCOCC2)=C1)C1=N[N-]N=N1	REAL000000004785	1	45	-1.0	-44.55	364.67	2.55	-42.00
CCCC(NC(=O)C1=CC(F)=CC(N2CCOCC2)=C1)C1=NNN=N1	REAL000000004785	1	46	0.0	-10.44	368.08	2.57	-7.87
CCCC(NC(=O)C1=NN(C)C(Br)=C1)C1=NN=N[N-]1	REAL000000004786	0	32	-1.0	-45.92	300.26	1.88	-44.03
CCCC(NC(=O)C1=NN(C)C(Br)=C1)C1=N[N-]N=N1	REAL000000004786	1	32	-1.0	-45.92	300.20	1.88	-44.04
CCCC(NC(=O)C1=NN(C)C(Br)=C1)C1=NNN=N1	REAL000000004786	1	33	0.0	-10.36	303.64	1.89	-8.47
CCCC(NC(=O)C1=CC(OC)=CC(Cl)=C1F)C1=NN=N[N-]1	REAL000000004787	0	36	-1.0	-48.44	324.54	3.54	-44.90
CCCC(NC(=O)C1=CC(OC)=CC(Cl)=C1F)C1=N[N-]N=N1	REAL000000004787	1	36	-1.0	-48.44	324.48	3.53	-44.91
CCCC(NC(=O)C1=CC(OC)=CC(Cl)=C1F)C1=NNN=N1	REAL000000004787	1	37	0.0	-13.07	327.91	3.55	-9.53
CCCC(NC(=O)C1=CN(C2=CC=CC(F)=C2)N=C1C)C1=NN=N[N-]1	REAL000000004788	0	42	-1.0	-49.80	359.83	5.47	-44.33
CCCC(NC(=O)C1=CN(C2=CC=CC(F)=C2)N=C1C)C1=N[N-]N=N1	REAL000000004788	1	42	-1.0	-49.80	359.77	5.46	-44.34
CCCC(NC(=O)C1=CN(C2=CC=CC(F)=C2)N=C1C)C1=NNN=N1	REAL000000004788	1	43	0.0	-13.05	363.21	5.47	-7.57
CCCC(NC(=O)[C@@H](C)N1C(=O)C2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL000000004789	0	42	-1.0	-57.64	357.73	4.70	-52.94
CCCC(NC(=O)[C@@H](C)N1C(=O)C2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL000000004789	1	42	-1.0	-57.63	357.67	4.70	-52.94
CCCC(NC(=O)[C@@H](C)N1C(=O)C2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000004789	1	43	0.0	-14.33	353.94	4.31	-10.03
CCCC(NC(=O)C1=C2C=CC=CC2=C(C)C=C1)C1=NN=N[N-]1	REAL000000004790	0	41	-1.0	-50.75	332.71	6.42	-44.33
CCCC(NC(=O)C1=C2C=CC=CC2=C(C)C=C1)C1=N[N-]N=N1	REAL000000004790	1	41	-1.0	-50.75	332.65	6.41	-44.34
CCCC(NC(=O)C1=C2C=CC=CC2=C(C)C=C1)C1=NNN=N1	REAL000000004790	1	42	0.0	-12.52	336.08	6.42	-6.10
CCCC(NC(=O)C(C)CC1=CC=C(OC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000004791	0	45	-1.0	-44.27	381.78	5.38	-38.88
CCCC(NC(=O)C(C)CC1=CC=C(OC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000004791	1	45	-1.0	-44.26	381.73	5.38	-38.89
CCCC(NC(=O)C(C)CC1=CC=C(OC(F)(F)F)C=C1)C1=NNN=N1	REAL000000004791	1	46	0.0	-9.92	385.12	5.39	-4.53
CCCC(NC(=O)C1CC1(F)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000004792	0	39	-1.0	-42.50	326.43	5.52	-36.98
CCCC(NC(=O)C1CC1(F)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000004792	1	39	-1.0	-42.49	326.37	5.51	-36.98
CCCC(NC(=O)C1CC1(F)C1=CC=CC=C1)C1=NNN=N1	REAL000000004792	1	40	0.0	-14.78	334.04	5.70	-9.08
CCCC(NC(=O)C1=C(Br)N=C2CCCN21)C1=NN=N[N-]1	REAL000000004793	0	36	-1.0	-51.14	318.93	3.68	-47.46
CCCC(NC(=O)C1=C(Br)N=C2CCCN21)C1=N[N-]N=N1	REAL000000004793	1	36	-1.0	-51.13	318.87	3.68	-47.45
CCCC(NC(=O)C1=C(Br)N=C2CCCN21)C1=NNN=N1	REAL000000004793	1	37	0.0	-16.91	322.30	3.68	-13.23
CCCC(NC(=O)C1CC2=CC=CC(C)=C2O1)C1=NN=N[N-]1	REAL000000004794	0	40	-1.0	-49.67	334.47	5.21	-44.46
CCCC(NC(=O)C1CC2=CC=CC(C)=C2O1)C1=N[N-]N=N1	REAL000000004794	1	40	-1.0	-49.66	334.41	5.21	-44.46
CCCC(NC(=O)C1CC2=CC=CC(C)=C2O1)C1=NNN=N1	REAL000000004794	1	41	0.0	-11.20	331.02	4.79	-6.41
CCCC(NC(=O)C1=CC=C(C2=CN(C)N=C2)O1)C1=NN=N[N-]1	REAL000000004795	0	39	-1.0	-48.10	343.23	3.28	-44.82
CCCC(NC(=O)C1=CC=C(C2=CN(C)N=C2)O1)C1=N[N-]N=N1	REAL000000004795	1	39	-1.0	-48.10	343.17	3.27	-44.83
CCCC(NC(=O)C1=CC=C(C2=CN(C)N=C2)O1)C1=NNN=N1	REAL000000004795	1	40	0.0	-13.36	346.61	3.28	-10.08
CCCC(NC(=O)C1CCC2=NN=C(C3=CC=CC=C3)N2C1)C1=NN=N[N-]1	REAL000000004796	0	48	-1.0	-48.22	387.82	6.96	-41.25
CCCC(NC(=O)C1CCC2=NN=C(C3=CC=CC=C3)N2C1)C1=N[N-]N=N1	REAL000000004796	1	48	-1.0	-48.21	387.76	6.95	-41.26
CCCC(NC(=O)C1CCC2=NN=C(C3=CC=CC=C3)N2C1)C1=NNN=N1	REAL000000004796	1	49	0.0	-18.40	390.94	6.97	-11.43
CCCC(NC(=O)CC1=CC2=CC(Cl)=CC=C2N1)C1=NN=N[N-]1	REAL000000004797	0	39	-1.0	-49.34	347.68	4.72	-44.62
CCCC(NC(=O)CC1=CC2=CC(Cl)=CC=C2N1)C1=N[N-]N=N1	REAL000000004797	1	39	-1.0	-49.34	347.62	4.72	-44.61
CCCC(NC(=O)CC1=CC2=CC(Cl)=CC=C2N1)C1=NNN=N1	REAL000000004797	1	40	0.0	-11.74	343.86	4.41	-7.33
CCCC(NC(=O)C1CCC2=NN=C(C3=CC=CC(C)=C3)N2C1)C1=NN=N[N-]1	REAL000000004798	0	51	-1.0	-48.23	409.21	7.63	-40.60
CCCC(NC(=O)C1CCC2=NN=C(C3=CC=CC(C)=C3)N2C1)C1=N[N-]N=N1	REAL000000004798	1	51	-1.0	-48.23	409.15	7.63	-40.61
CCCC(NC(=O)C1CCC2=NN=C(C3=CC=CC(C)=C3)N2C1)C1=NNN=N1	REAL000000004798	1	52	0.0	-15.03	405.39	7.31	-7.72
CCCC(NC(=O)COC1=CC=CC(Br)=C1C#N)C1=NN=N[N-]1	REAL000000004799	0	37	-1.0	-58.71	347.77	5.12	-53.58
CCCC(NC(=O)COC1=CC=CC(Br)=C1C#N)C1=N[N-]N=N1	REAL000000004799	1	37	-1.0	-58.70	347.71	5.13	-53.57
CCCC(NC(=O)COC1=CC=CC(Br)=C1C#N)C1=NNN=N1	REAL000000004799	1	38	0.0	-23.74	351.22	5.13	-18.61
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=NN1C)C1=NN=N[N-]1	REAL000000004800	0	42	-1.0	-45.17	354.52	4.94	-40.23
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=NN1C)C1=N[N-]N=N1	REAL000000004800	1	42	-1.0	-45.17	354.46	4.94	-40.23
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=NN1C)C1=NNN=N1	REAL000000004800	1	43	0.0	-12.15	357.71	4.95	-7.19
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL000000004801	0	40	-1.0	-47.96	337.91	2.82	-45.14
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL000000004801	1	40	-1.0	-47.95	337.85	2.81	-45.14
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(O)=C1)C1=NNN=N1	REAL000000004801	1	41	0.0	-12.89	341.30	2.83	-10.07
CCCC(NC(=O)C1=CN(CCCNC(=O)OC(C)(C)C)N=N1)C1=NN=N[N-]1	REAL000000004802	0	54	-1.0	-50.04	445.01	1.35	-48.68
CCCC(NC(=O)C1=CN(CCCNC(=O)OC(C)(C)C)N=N1)C1=N[N-]N=N1	REAL000000004802	1	54	-1.0	-50.03	444.95	1.36	-48.68
CCCC(NC(=O)C1=CN(CCCNC(=O)OC(C)(C)C)N=N1)C1=NNN=N1	REAL000000004802	1	55	0.0	-15.88	448.38	1.36	-14.52
CCCC(NC(=O)CC1=C(C)C=C(N(C)C)C=C1C)C1=NN=N[N-]1	REAL000000004803	0	49	-1.0	-48.93	385.48	5.80	-43.13
CCCC(NC(=O)CC1=C(C)C=C(N(C)C)C=C1C)C1=N[N-]N=N1	REAL000000004803	1	49	-1.0	-48.93	385.42	5.79	-43.14
CCCC(NC(=O)CC1=C(C)C=C(N(C)C)C=C1C)C1=NNN=N1	REAL000000004803	1	50	0.0	-12.79	387.51	5.77	-7.03
CCCC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C1=NN=N[N-]1	REAL000000004804	0	44	0.0	-71.75	358.86	3.55	-68.21
CCCC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C1=N[N-]N=N1	REAL000000004804	1	44	0.0	-71.75	358.81	3.55	-68.20
CCCC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C1=NNN=N1	REAL000000004804	1	45	1.0	-47.28	362.24	3.56	-43.72
CCCC(NC(=O)C=CC1=CC=C(C(F)(F)F)C=C1C)C1=NN=N[N-]1	REAL000000004805	0	42	-1.0	-44.94	365.11	6.38	-38.56
CCCC(NC(=O)C=CC1=CC=C(C(F)(F)F)C=C1C)C1=N[N-]N=N1	REAL000000004805	1	42	-1.0	-44.94	365.05	6.38	-38.56
CCCC(NC(=O)C=CC1=CC=C(C(F)(F)F)C=C1C)C1=NNN=N1	REAL000000004805	1	43	0.0	-11.29	368.48	6.39	-4.90
CCCC(NC(=O)CC(O)(CC)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000004806	0	45	-1.0	-43.61	355.26	3.99	-39.62
CCCC(NC(=O)CC(O)(CC)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000004806	1	45	-1.0	-43.61	355.20	3.98	-39.63
CCCC(NC(=O)CC(O)(CC)C1=CC=CC=C1)C1=NNN=N1	REAL000000004806	1	46	0.0	-9.70	358.64	3.99	-5.71
CCCC(NC(=O)C1=C(C)C2=CC=CC(Cl)=C2N1)C1=NN=N[N-]1	REAL000000004807	0	39	-1.0	-44.67	342.47	4.77	-39.90
CCCC(NC(=O)C1=C(C)C2=CC=CC(Cl)=C2N1)C1=N[N-]N=N1	REAL000000004807	1	39	-1.0	-44.67	342.41	4.76	-39.91
CCCC(NC(=O)C1=C(C)C2=CC=CC(Cl)=C2N1)C1=NNN=N1	REAL000000004807	1	40	0.0	-9.87	345.84	4.78	-5.09
CCCC(NC(=O)C1=C(Br)C=NN1C)C1=NN=N[N-]1	REAL000000004808	0	32	-1.0	-45.41	301.30	1.89	-43.52
CCCC(NC(=O)C1=C(Br)C=NN1C)C1=N[N-]N=N1	REAL000000004808	1	32	-1.0	-45.40	301.25	1.89	-43.51
CCCC(NC(=O)C1=C(Br)C=NN1C)C1=NNN=N1	REAL000000004808	1	33	0.0	-9.50	304.53	1.90	-7.60
CCCC(NC(=O)CCS(=O)(=O)CC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL000000004809	0	47	-1.0	-51.11	405.38	3.48	-47.62
CCCC(NC(=O)CCS(=O)(=O)CC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL000000004809	1	47	-1.0	-51.11	405.33	3.48	-47.63
CCCC(NC(=O)CCS(=O)(=O)CC1=CC=CC(C)=C1)C1=NNN=N1	REAL000000004809	1	48	0.0	-18.01	408.77	3.50	-14.52
CCCC(NC(=O)C1=C(C2=CC=CC=C2)C=CN1)C1=NN=N[N-]1	REAL000000004810	0	40	-1.0	-51.72	337.15	5.09	-46.63
CCCC(NC(=O)C1=C(C2=CC=CC=C2)C=CN1)C1=N[N-]N=N1	REAL000000004810	1	40	-1.0	-51.72	337.09	5.09	-46.63
CCCC(NC(=O)C1=C(C2=CC=CC=C2)C=CN1)C1=NNN=N1	REAL000000004810	1	41	0.0	-13.98	340.52	5.10	-8.89
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL000000004811	0	39	-1.0	-43.63	358.81	6.65	-36.99
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL000000004811	1	39	-1.0	-43.64	358.76	6.64	-37.00
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000004811	1	40	0.0	-10.09	362.19	6.66	-3.43
CCCC(NC(=O)C1CC(=O)N(CCC2=CC=C(F)C=C2)C1)C1=NN=N[N-]1	REAL000000004812	0	49	-1.0	-44.87	411.21	6.07	-38.80
CCCC(NC(=O)C1CC(=O)N(CCC2=CC=C(F)C=C2)C1)C1=N[N-]N=N1	REAL000000004812	1	49	-1.0	-44.86	411.15	6.07	-38.79
CCCC(NC(=O)C1CC(=O)N(CCC2=CC=C(F)C=C2)C1)C1=NNN=N1	REAL000000004812	1	50	0.0	-16.54	414.53	6.06	-10.49
CCCC(NC(=O)CC1CSC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL000000004813	0	41	-1.0	-53.05	351.68	5.63	-47.41
CCCC(NC(=O)CC1CSC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL000000004813	1	41	-1.0	-53.04	351.62	5.64	-47.41
CCCC(NC(=O)CC1CSC2=CC=CC=C2O1)C1=NNN=N1	REAL000000004813	1	42	0.0	-15.86	355.05	5.64	-10.21
CCCC(NC(=O)C1=CC=CC(CC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000004814	0	45	-1.0	-50.16	377.15	8.08	-42.07
CCCC(NC(=O)C1=CC=CC(CC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000004814	1	45	-1.0	-50.16	377.09	8.07	-42.09
CCCC(NC(=O)C1=CC=CC(CC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000004814	1	46	0.0	-12.44	380.53	8.09	-4.35
CCCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=NN=N[N-]1	REAL000000004815	0	51	0.0	-64.88	394.26	7.43	-57.45
CCCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=N[N-]N=N1	REAL000000004815	1	51	0.0	-64.88	394.21	7.43	-57.45
CCCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=NNN=N1	REAL000000004815	1	52	1.0	-41.23	397.64	7.44	-33.79
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(OC(C)C)=C1)C1=NN=N[N-]1	REAL000000004816	0	44	-1.0	-44.49	369.58	5.95	-38.54
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(OC(C)C)=C1)C1=N[N-]N=N1	REAL000000004816	1	44	-1.0	-44.48	369.52	5.94	-38.54
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(OC(C)C)=C1)C1=NNN=N1	REAL000000004816	1	45	0.0	-14.77	372.97	5.96	-8.81
CCCC(NC(=O)C1=CN(C2=CC=CC=C2C)N=N1)C1=NN=N[N-]1	REAL000000004817	0	41	-1.0	-46.43	352.68	4.23	-42.19
CCCC(NC(=O)C1=CN(C2=CC=CC=C2C)N=N1)C1=N[N-]N=N1	REAL000000004817	1	41	-1.0	-46.42	352.62	4.23	-42.19
CCCC(NC(=O)C1=CN(C2=CC=CC=C2C)N=N1)C1=NNN=N1	REAL000000004817	1	42	0.0	-11.39	350.63	4.08	-7.31
CCCC(NC(=O)C(C)CC1=CC=C(OCC)C=C1)C1=NN=N[N-]1	REAL000000004818	0	48	-1.0	-45.29	387.14	5.84	-39.45
CCCC(NC(=O)C(C)CC1=CC=C(OCC)C=C1)C1=N[N-]N=N1	REAL000000004818	1	48	-1.0	-45.29	387.09	5.84	-39.45
CCCC(NC(=O)C(C)CC1=CC=C(OCC)C=C1)C1=NNN=N1	REAL000000004818	1	49	0.0	-11.04	390.49	5.85	-5.19
CCCC(NC(=O)C1CCC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL000000004819	0	40	-1.0	-51.19	330.85	5.32	-45.87
CCCC(NC(=O)C1CCC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL000000004819	1	40	-1.0	-51.20	330.79	5.32	-45.88
CCCC(NC(=O)C1CCC2=CC=CC=C2O1)C1=NNN=N1	REAL000000004819	1	41	0.0	-14.46	334.22	5.33	-9.13
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL000000004820	0	41	-1.0	-48.43	355.11	6.34	-42.09
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL000000004820	1	41	-1.0	-48.43	355.05	6.34	-42.09
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000004820	1	42	0.0	-15.02	358.49	6.35	-8.67
CCCC(NC(=O)C1CC(C)(C)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000004821	0	46	-1.0	-47.36	363.41	5.40	-41.96
CCCC(NC(=O)C1CC(C)(C)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000004821	1	46	-1.0	-47.35	363.35	5.40	-41.95
CCCC(NC(=O)C1CC(C)(C)OC2=CC=CC=C21)C1=NNN=N1	REAL000000004821	1	47	0.0	-12.20	365.63	5.29	-6.91
CCCC(NC(=O)C1=NN(C)C2=C1CCCC2)C1=NN=N[N-]1	REAL000000004822	0	42	-1.0	-52.25	339.91	3.78	-48.47
CCCC(NC(=O)C1=NN(C)C2=C1CCCC2)C1=N[N-]N=N1	REAL000000004822	1	42	-1.0	-52.24	339.85	3.78	-48.46
CCCC(NC(=O)C1=NN(C)C2=C1CCCC2)C1=NNN=N1	REAL000000004822	1	43	0.0	-13.26	343.29	3.79	-9.47
CCCC(NC(=O)C1=CC=C(OC(CC)CC)C=C1)C1=NN=N[N-]1	REAL000000004823	0	48	-1.0	-46.66	379.49	5.92	-40.74
CCCC(NC(=O)C1=CC=C(OC(CC)CC)C=C1)C1=N[N-]N=N1	REAL000000004823	1	48	-1.0	-46.66	379.43	5.92	-40.74
CCCC(NC(=O)C1=CC=C(OC(CC)CC)C=C1)C1=NNN=N1	REAL000000004823	1	49	0.0	-7.63	375.27	5.57	-2.06
CCCC(NC(=O)CC1=CC=CC=C1OC1CCOC1)C1=NN=N[N-]1	REAL000000004824	0	47	-1.0	-50.36	383.13	4.04	-46.32
CCCC(NC(=O)CC1=CC=CC=C1OC1CCOC1)C1=N[N-]N=N1	REAL000000004824	1	47	-1.0	-50.36	383.07	4.04	-46.32
CCCC(NC(=O)CC1=CC=CC=C1OC1CCOC1)C1=NNN=N1	REAL000000004824	1	48	0.0	-13.88	386.51	4.05	-9.84
CCCC(NC(=O)C=CC1=CC=C(C(F)(F)F)C=C1OC)C1=NN=N[N-]1	REAL000000004825	0	43	-1.0	-48.15	375.90	5.22	-42.94
CCCC(NC(=O)C=CC1=CC=C(C(F)(F)F)C=C1OC)C1=N[N-]N=N1	REAL000000004825	1	43	-1.0	-48.15	375.85	5.21	-42.94
CCCC(NC(=O)C=CC1=CC=C(C(F)(F)F)C=C1OC)C1=NNN=N1	REAL000000004825	1	44	0.0	-13.38	379.63	5.24	-8.14
CCCC(NC(=O)CC1=CC=CC=C1S(=O)(=O)C(F)F)C1=NN=N[N-]1	REAL000000004826	0	41	-1.0	-51.64	359.37	2.11	-49.54
CCCC(NC(=O)CC1=CC=CC=C1S(=O)(=O)C(F)F)C1=N[N-]N=N1	REAL000000004826	1	41	-1.0	-51.64	359.32	2.10	-49.54
CCCC(NC(=O)CC1=CC=CC=C1S(=O)(=O)C(F)F)C1=NNN=N1	REAL000000004826	1	42	0.0	-16.17	362.75	2.11	-14.05
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(C#N)=C1)C1=NN=N[N-]1	REAL000000004827	0	40	-1.0	-49.19	347.77	6.06	-43.13
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(C#N)=C1)C1=N[N-]N=N1	REAL000000004827	1	40	-1.0	-49.19	347.71	6.05	-43.14
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(C#N)=C1)C1=NNN=N1	REAL000000004827	1	41	0.0	-14.82	351.18	6.06	-8.76
CCCC(NC(=O)C1=CSC(C2CCCCC2)=N1)C1=NN=N[N-]1	REAL000000004828	0	44	-1.0	-46.10	366.30	4.60	-41.50
CCCC(NC(=O)C1=CSC(C2CCCCC2)=N1)C1=N[N-]N=N1	REAL000000004828	1	44	-1.0	-46.10	366.24	4.59	-41.51
CCCC(NC(=O)C1=CSC(C2CCCCC2)=N1)C1=NNN=N1	REAL000000004828	1	45	0.0	-9.18	369.68	4.61	-4.57
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000004829	0	39	-1.0	-46.18	343.62	6.18	-40.00
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000004829	1	39	-1.0	-46.18	343.56	6.17	-40.01
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000004829	1	40	0.0	-7.74	339.84	5.86	-1.89
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1OC)C1=NN=N[N-]1	REAL000000004830	0	43	-1.0	-49.76	355.28	5.04	-44.72
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1OC)C1=N[N-]N=N1	REAL000000004830	1	43	-1.0	-49.76	355.22	5.03	-44.73
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1OC)C1=NNN=N1	REAL000000004830	1	44	0.0	-13.91	358.65	5.04	-8.86
CCCC(NC(=O)C1=CN(C2=CC=CC=C2CC)N=N1)C1=NN=N[N-]1	REAL000000004831	0	44	-1.0	-46.63	366.18	4.82	-41.81
CCCC(NC(=O)C1=CN(C2=CC=CC=C2CC)N=N1)C1=N[N-]N=N1	REAL000000004831	1	44	-1.0	-46.63	366.12	4.82	-41.81
CCCC(NC(=O)C1=CN(C2=CC=CC=C2CC)N=N1)C1=NNN=N1	REAL000000004831	1	45	0.0	-9.87	362.34	4.49	-5.38
CCCC(NC(=O)C(O)C1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000004832	0	38	-1.0	-44.42	334.76	3.05	-41.36
CCCC(NC(=O)C(O)C1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000004832	1	38	-1.0	-44.41	334.71	3.05	-41.36
CCCC(NC(=O)C(O)C1=CC=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000004832	1	39	0.0	-13.85	338.17	3.06	-10.79
CCCC(NC(=O)C1=CN(C2=CC=CN=C2)N=N1)C1=NN=N[N-]1	REAL000000004833	0	37	-1.0	-46.42	326.65	1.54	-44.87
CCCC(NC(=O)C1=CN(C2=CC=CN=C2)N=N1)C1=N[N-]N=N1	REAL000000004833	1	37	-1.0	-46.41	326.59	1.54	-44.87
CCCC(NC(=O)C1=CN(C2=CC=CN=C2)N=N1)C1=NNN=N1	REAL000000004833	1	38	0.0	-12.03	330.02	1.55	-10.47
CCCC(NC(=O)C(=O)C1=CC=C(Br)S1)C1=NN=N[N-]1	REAL000000004834	0	31	-1.0	-39.77	308.16	3.26	-36.51
CCCC(NC(=O)C(=O)C1=CC=C(Br)S1)C1=N[N-]N=N1	REAL000000004834	1	31	-1.0	-39.77	308.10	3.25	-36.52
CCCC(NC(=O)C(=O)C1=CC=C(Br)S1)C1=NNN=N1	REAL000000004834	1	32	0.0	-5.68	304.37	2.93	-2.75
CCCC(NC(=O)C1=COC(C2=C(F)C=CC=C2F)=N1)C1=NN=N[N-]1	REAL000000004835	0	38	-1.0	-50.43	343.55	2.52	-47.91
CCCC(NC(=O)C1=COC(C2=C(F)C=CC=C2F)=N1)C1=N[N-]N=N1	REAL000000004835	1	38	-1.0	-50.43	343.49	2.51	-47.92
CCCC(NC(=O)C1=COC(C2=C(F)C=CC=C2F)=N1)C1=NNN=N1	REAL000000004835	1	39	0.0	-13.68	346.92	2.53	-11.15
CCCC(NC(=O)C1=CC(=O)C2=CC=C(Cl)C=C2O1)C1=NN=N[N-]1	REAL000000004836	0	37	-1.0	-43.04	340.99	4.40	-38.64
CCCC(NC(=O)C1=CC(=O)C2=CC=C(Cl)C=C2O1)C1=N[N-]N=N1	REAL000000004836	1	37	-1.0	-43.03	340.94	4.40	-38.63
CCCC(NC(=O)C1=CC(=O)C2=CC=C(Cl)C=C2O1)C1=NNN=N1	REAL000000004836	1	38	0.0	-10.71	344.34	4.42	-6.29
CCCC(NC(=O)CC1=CC=CC(OCC=C(C)C)=C1)C1=NN=N[N-]1	REAL000000004837	0	49	-1.0	-47.71	402.73	6.59	-41.12
CCCC(NC(=O)CC1=CC=CC(OCC=C(C)C)=C1)C1=N[N-]N=N1	REAL000000004837	1	49	-1.0	-47.71	402.67	6.58	-41.13
CCCC(NC(=O)CC1=CC=CC(OCC=C(C)C)=C1)C1=NNN=N1	REAL000000004837	1	50	0.0	-13.05	405.69	6.58	-6.47
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C2=C1CCCC2)C1=NN=N[N-]1	REAL000000004838	0	49	-1.0	-57.75	402.83	7.24	-50.51
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C2=C1CCCC2)C1=N[N-]N=N1	REAL000000004838	1	49	-1.0	-57.76	402.77	7.24	-50.52
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C2=C1CCCC2)C1=NNN=N1	REAL000000004838	1	50	0.0	-14.04	399.02	6.91	-7.13
CCCC(NC(=O)C1=CC=C(S(=O)(=O)C2CCC2)C=C1)C1=NN=N[N-]1	REAL000000004839	0	45	-1.0	-51.73	382.53	3.50	-48.22
CCCC(NC(=O)C1=CC=C(S(=O)(=O)C2CCC2)C=C1)C1=N[N-]N=N1	REAL000000004839	1	45	-1.0	-51.72	382.47	3.50	-48.22
CCCC(NC(=O)C1=CC=C(S(=O)(=O)C2CCC2)C=C1)C1=NNN=N1	REAL000000004839	1	46	0.0	-16.44	385.91	3.51	-12.93
CCCC(NC(=O)CC1=NOC2=CC=C(OC)C=C21)C1=NN=N[N-]1	REAL000000004840	0	41	-1.0	-54.82	351.88	2.95	-51.87
CCCC(NC(=O)CC1=NOC2=CC=C(OC)C=C21)C1=N[N-]N=N1	REAL000000004840	1	41	-1.0	-54.82	351.82	2.94	-51.88
CCCC(NC(=O)CC1=NOC2=CC=C(OC)C=C21)C1=NNN=N1	REAL000000004840	1	42	0.0	-18.73	355.26	2.96	-15.77
CCCC(NC(=O)CC1=NOC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL000000004841	0	37	-1.0	-52.34	328.83	3.71	-48.63
CCCC(NC(=O)CC1=NOC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL000000004841	1	37	-1.0	-52.34	328.77	3.71	-48.63
CCCC(NC(=O)CC1=NOC2=CC=C(F)C=C21)C1=NNN=N1	REAL000000004841	1	38	0.0	-13.59	325.04	3.39	-10.20
CCCC(NC(=O)CN1CCCCC(OC)C1=O)C1=NN=N[N-]1	REAL000000004842	0	46	-1.0	-55.06	359.36	2.94	-52.12
CCCC(NC(=O)CN1CCCCC(OC)C1=O)C1=N[N-]N=N1	REAL000000004842	1	46	-1.0	-55.06	359.31	2.93	-52.13
CCCC(NC(=O)CN1CCCCC(OC)C1=O)C1=NNN=N1	REAL000000004842	1	47	0.0	-13.27	362.73	2.95	-10.32
CCCC(NC(=O)CC1(CNC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000004843	0	52	-1.0	-49.88	414.78	3.20	-46.68
CCCC(NC(=O)CC1(CNC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000004843	1	52	-1.0	-49.88	414.72	3.20	-46.68
CCCC(NC(=O)CC1(CNC(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000004843	1	53	0.0	-11.66	409.56	2.94	-8.72
CCCC(NC(=O)C1=CC=C(C(C)NC(=O)OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000004844	0	55	-1.0	-49.08	439.72	4.99	-44.09
CCCC(NC(=O)C1=CC=C(C(C)NC(=O)OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000004844	1	55	-1.0	-49.07	439.67	4.99	-44.09
CCCC(NC(=O)C1=CC=C(C(C)NC(=O)OC(C)(C)C)C=C1)C1=NNN=N1	REAL000000004844	1	56	0.0	-10.93	435.90	4.67	-6.25
CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C2=C1CCCC2)C1=NN=N[N-]1	REAL000000004845	0	49	-1.0	-50.12	402.72	7.15	-42.97
CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C2=C1CCCC2)C1=N[N-]N=N1	REAL000000004845	1	49	-1.0	-50.12	402.67	7.14	-42.98
CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C2=C1CCCC2)C1=NNN=N1	REAL000000004845	1	50	0.0	-9.57	398.90	6.83	-2.74
CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2F)C2=C1CCC2)C1=NN=N[N-]1	REAL000000004846	0	46	-1.0	-57.27	396.40	6.88	-50.39
CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2F)C2=C1CCC2)C1=N[N-]N=N1	REAL000000004846	1	46	-1.0	-57.27	396.34	6.88	-50.40
CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2F)C2=C1CCC2)C1=NNN=N1	REAL000000004846	1	47	0.0	-19.02	399.78	6.88	-12.13
CCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C2=C1CCC2)C1=NN=N[N-]1	REAL000000004847	0	49	-1.0	-57.41	411.51	7.49	-49.93
CCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C2=C1CCC2)C1=N[N-]N=N1	REAL000000004847	1	49	-1.0	-57.41	411.45	7.48	-49.94
CCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C2=C1CCC2)C1=NNN=N1	REAL000000004847	1	50	0.0	-14.16	407.69	7.16	-7.00
CCCC(NC(=O)C1=NN(C2=C(C)C=CC=C2F)C2=C1CCC2)C1=NN=N[N-]1	REAL000000004848	0	49	-1.0	-53.92	405.33	7.52	-46.40
CCCC(NC(=O)C1=NN(C2=C(C)C=CC=C2F)C2=C1CCC2)C1=N[N-]N=N1	REAL000000004848	1	49	-1.0	-53.93	405.28	7.52	-46.40
CCCC(NC(=O)C1=NN(C2=C(C)C=CC=C2F)C2=C1CCC2)C1=NNN=N1	REAL000000004848	1	50	0.0	-14.21	408.71	7.53	-6.69
CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C2=C1CCC2)C1=NN=N[N-]1	REAL000000004849	0	46	-1.0	-53.34	389.24	6.68	-46.66
CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C2=C1CCC2)C1=N[N-]N=N1	REAL000000004849	1	46	-1.0	-53.34	389.18	6.68	-46.66
CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C2=C1CCC2)C1=NNN=N1	REAL000000004849	1	47	0.0	-12.83	385.45	6.37	-6.47
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)S1)C1=NN=N[N-]1	REAL000000004850	0	35	-1.0	-52.22	329.09	0.23	-51.99
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)S1)C1=N[N-]N=N1	REAL000000004850	1	35	-1.0	-52.22	329.03	0.23	-51.99
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)S1)C1=NNN=N1	REAL000000004850	1	36	0.0	-14.34	325.28	-0.09	-14.43
CCCC(NC(=O)CC1=NN(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000004851	0	41	-1.0	-51.43	348.93	4.17	-47.26
CCCC(NC(=O)CC1=NN(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000004851	1	41	-1.0	-51.43	348.87	4.17	-47.25
CCCC(NC(=O)CC1=NN(C)C2=CC=CC=C21)C1=NNN=N1	REAL000000004851	1	42	0.0	-13.85	345.12	3.86	-9.99
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C1=NN=N[N-]1	REAL000000004852	0	40	-1.0	-44.37	334.59	5.51	-38.85
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C1=N[N-]N=N1	REAL000000004852	1	40	-1.0	-44.37	334.54	5.52	-38.85
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C1=NNN=N1	REAL000000004852	1	41	0.0	-10.72	340.84	5.65	-5.08
CCCC(NC(=O)C1=CC=C(C(C)(C)C)C=N1)C1=NN=N[N-]1	REAL000000004853	0	43	-1.0	-46.09	348.07	4.23	-41.86
CCCC(NC(=O)C1=CC=C(C(C)(C)C)C=N1)C1=N[N-]N=N1	REAL000000004853	1	43	-1.0	-46.10	348.01	4.23	-41.87
CCCC(NC(=O)C1=CC=C(C(C)(C)C)C=N1)C1=NNN=N1	REAL000000004853	1	44	0.0	-9.27	351.44	4.24	-5.03
CCCC(NC(=O)C1=CC(=O)C2=CC(Br)=CC=C2O1)C1=NN=N[N-]1	REAL000000004854	0	37	-1.0	-43.15	345.65	4.51	-38.64
CCCC(NC(=O)C1=CC(=O)C2=CC(Br)=CC=C2O1)C1=N[N-]N=N1	REAL000000004854	1	37	-1.0	-43.15	345.59	4.51	-38.64
CCCC(NC(=O)C1=CC(=O)C2=CC(Br)=CC=C2O1)C1=NNN=N1	REAL000000004854	1	38	0.0	-13.03	349.03	4.51	-8.51
CCCC(NC(=O)C1=CC=C(N2C=CC=N2)C(C)=C1)C1=NN=N[N-]1	REAL000000004855	0	42	-1.0	-49.91	348.20	5.78	-44.13
CCCC(NC(=O)C1=CC=C(N2C=CC=N2)C(C)=C1)C1=N[N-]N=N1	REAL000000004855	1	42	-1.0	-49.90	348.15	5.78	-44.13
CCCC(NC(=O)C1=CC=C(N2C=CC=N2)C(C)=C1)C1=NNN=N1	REAL000000004855	1	43	0.0	-15.16	351.58	5.79	-9.36
CCCC(NC(=O)C1=CC=C(OCC2=CC=NC=C2)C=C1)C1=NN=N[N-]1	REAL000000004856	0	45	-1.0	-49.30	380.40	5.17	-44.13
CCCC(NC(=O)C1=CC=C(OCC2=CC=NC=C2)C=C1)C1=N[N-]N=N1	REAL000000004856	1	45	-1.0	-49.30	380.34	5.17	-44.13
CCCC(NC(=O)C1=CC=C(OCC2=CC=NC=C2)C=C1)C1=NNN=N1	REAL000000004856	1	46	0.0	-14.85	383.78	5.18	-9.67
CCCC(NC(=O)C=CC1(C)CCC(C)C1(C)C)C1=NN=N[N-]1	REAL000000004857	0	51	-1.0	-45.92	378.91	6.28	-39.64
CCCC(NC(=O)C=CC1(C)CCC(C)C1(C)C)C1=N[N-]N=N1	REAL000000004857	1	51	-1.0	-45.91	378.85	6.27	-39.65
CCCC(NC(=O)C=CC1(C)CCC(C)C1(C)C)C1=NNN=N1	REAL000000004857	1	52	0.0	-9.39	382.29	6.27	-3.11
CCCC(NC(=O)CC1=C(C)N=C(SC2CCCC2)S1)C1=NN=N[N-]1	REAL000000004858	0	48	-1.0	-48.26	410.20	6.31	-41.95
CCCC(NC(=O)CC1=C(C)N=C(SC2CCCC2)S1)C1=N[N-]N=N1	REAL000000004858	1	48	-1.0	-48.26	410.15	6.30	-41.97
CCCC(NC(=O)CC1=C(C)N=C(SC2CCCC2)S1)C1=NNN=N1	REAL000000004858	1	49	0.0	-12.81	413.59	6.32	-6.49
CCCC(NC(=O)C1=CC=CC(C(F)(F)F)=C1[O-])C1=NN=N[N-]1	REAL000000004859	0	35	-2.0	-110.54	317.08	4.24	-106.31
CCCC(NC(=O)C1=CC=CC(C(F)(F)F)=C1[O-])C1=N[N-]N=N1	REAL000000004859	1	35	-2.0	-110.55	317.02	4.23	-106.32
CCCC(NC(=O)C(=CC1=CC=CS1)NC(C)=O)C1=NN=N[N-]1	REAL000000004860	0	40	-1.0	-56.50	349.10	4.10	-52.40
CCCC(NC(=O)C(=CC1=CC=CS1)NC(C)=O)C1=N[N-]N=N1	REAL000000004860	1	40	-1.0	-56.51	349.04	4.09	-52.42
CCCC(NC(=O)C(=CC1=CC=CS1)NC(C)=O)C1=NNN=N1	REAL000000004860	1	41	0.0	-15.15	353.13	3.98	-11.17
CCCC(NC(=O)C1=CC=CC(C2=NC(=O)O[N-]2)=C1)C1=NN=N[N-]1	REAL000000004861	0	37	-2.0	-97.32	331.04	1.31	-96.01
CCCC(NC(=O)C1=CC=CC(C2=NC(=O)O[N-]2)=C1)C1=N[N-]N=N1	REAL000000004861	1	37	-2.0	-97.33	330.98	1.31	-96.02
CCCC(NC(=O)C1=CC=CC(C2=NC(=O)O[N-]2)=C1)C1=NNN=N1	REAL000000004861	1	38	-1.0	-52.12	334.42	1.32	-50.80
CCCC(NC(=O)C1=CC(C(=O)OC)=CC=N1)C1=NN=N[N-]1	REAL000000004862	0	37	-1.0	-51.40	326.73	2.59	-48.81
CCCC(NC(=O)C1=CC(C(=O)OC)=CC=N1)C1=N[N-]N=N1	REAL000000004862	1	37	-1.0	-51.40	326.67	2.58	-48.82
CCCC(NC(=O)C1=CC(C(=O)OC)=CC=N1)C1=NNN=N1	REAL000000004862	1	38	0.0	-11.86	322.91	2.27	-9.59
CCCC(NC(=O)C1=CC(NC)=CC=C1Cl)C1=NN=N[N-]1	REAL000000004863	0	37	-1.0	-48.32	321.86	2.97	-45.35
CCCC(NC(=O)C1=CC(NC)=CC=C1Cl)C1=N[N-]N=N1	REAL000000004863	1	37	-1.0	-48.32	321.80	2.97	-45.34
CCCC(NC(=O)C1=CC(NC)=CC=C1Cl)C1=NNN=N1	REAL000000004863	1	38	0.0	-12.09	325.23	2.98	-9.11
CCCC(NC(=O)C(C(=O)OCC)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000004864	0	44	-1.0	-56.00	371.88	6.78	-49.22
CCCC(NC(=O)C(C(=O)OCC)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000004864	1	44	-1.0	-56.00	371.82	6.77	-49.23
CCCC(NC(=O)C(C(=O)OCC)C1=CC=CC=C1)C1=NNN=N1	REAL000000004864	1	45	0.0	-13.84	375.19	6.05	-7.79
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)C(F)F)=C1)C1=NN=N[N-]1	REAL000000004865	0	38	-1.0	-53.30	348.21	1.58	-51.72
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)C(F)F)=C1)C1=N[N-]N=N1	REAL000000004865	1	38	-1.0	-53.30	348.16	1.58	-51.72
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)C(F)F)=C1)C1=NNN=N1	REAL000000004865	1	39	0.0	-18.26	351.59	1.58	-16.67
CCCC(NC(=O)CC1=NSC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000004866	0	37	-1.0	-47.85	329.72	4.30	-43.55
CCCC(NC(=O)CC1=NSC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000004866	1	37	-1.0	-47.85	329.66	4.30	-43.54
CCCC(NC(=O)CC1=NSC2=CC=CC=C21)C1=NNN=N1	REAL000000004866	1	38	0.0	-13.35	325.91	3.99	-9.36
CCCC(NC(=O)CC1=NOC2=CC=C(Br)C=C21)C1=NN=N[N-]1	REAL000000004867	0	37	-1.0	-52.01	343.70	4.27	-47.74
CCCC(NC(=O)CC1=NOC2=CC=C(Br)C=C21)C1=N[N-]N=N1	REAL000000004867	1	37	-1.0	-52.01	343.64	4.26	-47.75
CCCC(NC(=O)CC1=NOC2=CC=C(Br)C=C21)C1=NNN=N1	REAL000000004867	1	38	0.0	-16.87	347.08	4.28	-12.59
CCCC(NC(=O)C=CC1=CC=C(C(F)(F)F)C(C)=C1)C1=NN=N[N-]1	REAL000000004868	0	42	-1.0	-45.02	363.21	6.35	-38.67
CCCC(NC(=O)C=CC1=CC=C(C(F)(F)F)C(C)=C1)C1=N[N-]N=N1	REAL000000004868	1	42	-1.0	-45.02	363.15	6.34	-38.68
CCCC(NC(=O)C=CC1=CC=C(C(F)(F)F)C(C)=C1)C1=NNN=N1	REAL000000004868	1	43	0.0	-11.43	366.58	6.36	-5.07
CCCC(NC(=O)CCSC1=C2N=CNC2=NC=N1)C1=NN=N[N-]1	REAL000000004869	0	40	-1.0	-54.11	357.38	4.53	-49.57
CCCC(NC(=O)CCSC1=C2N=CNC2=NC=N1)C1=N[N-]N=N1	REAL000000004869	1	40	-1.0	-54.10	357.33	4.52	-49.57
CCCC(NC(=O)CCSC1=C2N=CNC2=NC=N1)C1=NNN=N1	REAL000000004869	1	41	0.0	-18.89	360.76	4.54	-14.34
CCCC(NC(=O)CC1=C(C)N(COCC)N=C1C)C1=NN=N[N-]1	REAL000000004870	0	48	-1.0	-49.90	396.59	2.66	-47.23
CCCC(NC(=O)CC1=C(C)N(COCC)N=C1C)C1=N[N-]N=N1	REAL000000004870	1	48	-1.0	-49.89	396.54	2.67	-47.23
CCCC(NC(=O)CC1=C(C)N(COCC)N=C1C)C1=NNN=N1	REAL000000004870	1	49	0.0	-17.33	398.94	2.64	-14.69
CCCC(NC(=O)C(C)=CC1CCC(C)CC1)C1=NN=N[N-]1	REAL000000004871	0	48	-1.0	-45.81	363.90	6.34	-39.47
CCCC(NC(=O)C(C)=CC1CCC(C)CC1)C1=N[N-]N=N1	REAL000000004871	1	48	-1.0	-45.80	363.85	6.33	-39.47
CCCC(NC(=O)C(C)=CC1CCC(C)CC1)C1=NNN=N1	REAL000000004871	1	49	0.0	-9.48	367.29	6.35	-3.13
CCCC(NC(=O)C(C)CC1=C(C)N(COCC)N=C1C)C1=NN=N[N-]1	REAL000000004872	0	54	-1.0	-49.54	429.07	3.76	-45.77
CCCC(NC(=O)C(C)CC1=C(C)N(COCC)N=C1C)C1=N[N-]N=N1	REAL000000004872	1	54	-1.0	-49.53	429.01	3.76	-45.77
CCCC(NC(=O)C(C)CC1=C(C)N(COCC)N=C1C)C1=NNN=N1	REAL000000004872	1	55	0.0	-14.71	432.45	3.77	-10.94
CCCC(NC(=O)C(CCC)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000005183	0	44	-1.0	-44.68	372.69	6.84	-37.84
CCCC(NC(=O)C(CCC)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000005183	1	44	-1.0	-44.67	372.63	6.84	-37.84
CCCC(NC(=O)C(CCC)C1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000005183	1	45	0.0	-10.10	376.08	6.84	-3.26
CCCC(NC(=O)C1=C(C)N(C2=NN(C)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000005184	0	46	-1.0	-55.06	382.30	6.05	-49.01
CCCC(NC(=O)C1=C(C)N(C2=NN(C)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000005184	1	46	-1.0	-55.06	382.24	6.05	-49.01
CCCC(NC(=O)C1=C(C)N(C2=NN(C)C=C2)C(C)=C1)C1=NNN=N1	REAL000000005184	1	47	0.0	-17.11	385.73	6.06	-11.06
CCCC(NC(=O)C(CC1=NNC=C1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000005185	0	52	-1.0	-48.77	405.40	1.95	-46.82
CCCC(NC(=O)C(CC1=NNC=C1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000005185	1	52	-1.0	-48.77	405.34	1.96	-46.81
CCCC(NC(=O)C(CC1=NNC=C1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005185	1	53	0.0	-13.51	408.77	1.97	-11.55
CCCC(NC(=O)CC1=CC=C(N2C=CN=C2)C=C1)C1=NN=N[N-]1	REAL000000005186	0	42	-1.0	-49.15	354.94	6.71	-42.44
CCCC(NC(=O)CC1=CC=C(N2C=CN=C2)C=C1)C1=N[N-]N=N1	REAL000000005186	1	42	-1.0	-49.14	354.88	6.71	-42.43
CCCC(NC(=O)CC1=CC=C(N2C=CN=C2)C=C1)C1=NNN=N1	REAL000000005186	1	43	0.0	-15.91	358.31	6.72	-9.19
CCCC(NC(=O)CN1CSCCSC1)C1=NN=N[N-]1	REAL000000005187	0	39	-1.0	-45.98	333.59	2.14	-43.84
CCCC(NC(=O)CN1CSCCSC1)C1=N[N-]N=N1	REAL000000005187	1	39	-1.0	-45.98	333.54	2.13	-43.85
CCCC(NC(=O)CN1CSCCSC1)C1=NNN=N1	REAL000000005187	1	40	0.0	-11.40	336.98	2.15	-9.25
CCCC(NC(=O)CCC(=O)C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL000000005188	0	40	-1.0	-49.43	347.87	5.01	-44.42
CCCC(NC(=O)CCC(=O)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL000000005188	1	40	-1.0	-49.43	347.81	5.00	-44.43
CCCC(NC(=O)CCC(=O)C1=C(F)C=CC=C1F)C1=NNN=N1	REAL000000005188	1	41	0.0	-13.96	351.24	5.02	-8.95
CCCC(NC(=O)CN1CCC(C2=CC=CC=C2)NC1=O)C1=NN=N[N-]1	REAL000000005189	0	48	-1.0	-49.90	393.66	4.48	-45.42
CCCC(NC(=O)CN1CCC(C2=CC=CC=C2)NC1=O)C1=N[N-]N=N1	REAL000000005189	1	48	-1.0	-49.90	393.60	4.48	-45.42
CCCC(NC(=O)CN1CCC(C2=CC=CC=C2)NC1=O)C1=NNN=N1	REAL000000005189	1	49	0.0	-14.95	390.15	4.18	-10.77
CCCC(NC(=O)[C@H]1OCC[C@H]1CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000005190	0	53	-1.0	-55.14	411.00	2.48	-52.66
CCCC(NC(=O)[C@H]1OCC[C@H]1CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000005190	1	53	-1.0	-55.12	410.91	2.47	-52.64
CCCC(NC(=O)[C@H]1OCC[C@H]1CNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005190	1	54	0.0	-13.25	400.57	2.06	-11.19
CCCC(NC(=O)C1CC(=O)NC2CCCCC21)C1=NN=N[N-]1	REAL000000005191	0	46	-1.0	-53.27	350.60	2.21	-51.06
CCCC(NC(=O)C1CC(=O)NC2CCCCC21)C1=N[N-]N=N1	REAL000000005191	1	46	-1.0	-53.27	350.54	2.20	-51.07
CCCC(NC(=O)C1CC(=O)NC2CCCCC21)C1=NNN=N1	REAL000000005191	1	47	0.0	-14.16	360.24	2.25	-11.91
CCCC(NC(=O)CN1C=C(C#N)C(=O)[N-]C1=O)C1=NN=N[N-]1	REAL000000005192	0	35	-2.0	-110.04	325.24	-1.18	-111.22
CCCC(NC(=O)CN1C=C(C#N)C(=O)[N-]C1=O)C1=N[N-]N=N1	REAL000000005192	1	35	-2.0	-110.04	325.18	-1.19	-111.23
CCCC(NC(=O)CN1C=C(C#N)C(=O)[N-]C1=O)C1=NNN=N1	REAL000000005192	1	36	-1.0	-54.38	328.60	-1.17	-55.55
CCCC(NC(=O)CCN1CSCCSC1)C1=NN=N[N-]1	REAL000000005203	0	42	-1.0	-45.92	352.93	2.42	-43.50
CCCC(NC(=O)CCN1CSCCSC1)C1=N[N-]N=N1	REAL000000005203	1	42	-1.0	-45.93	352.87	2.42	-43.51
CCCC(NC(=O)CCN1CSCCSC1)C1=NNN=N1	REAL000000005203	1	43	0.0	-8.35	349.14	2.10	-6.25
CCCC(NC(=O)CCN1C=C(C(N)=O)C(=O)NC1=O)C1=NN=N[N-]1	REAL000000005204	0	42	-1.0	-50.59	361.45	-2.28	-52.87
CCCC(NC(=O)CCN1C=C(C(N)=O)C(=O)NC1=O)C1=N[N-]N=N1	REAL000000005204	1	42	-1.0	-50.59	361.39	-2.29	-52.87
CCCC(NC(=O)CCN1C=C(C(N)=O)C(=O)NC1=O)C1=NNN=N1	REAL000000005204	1	43	0.0	-16.00	364.81	-2.27	-18.27
CCCC(NC(=O)C1CC2=C(Cl)C=CC=C21)C1=NN=N[N-]1	REAL000000005205	0	36	-1.0	-45.52	320.97	5.39	-40.13
CCCC(NC(=O)C1CC2=C(Cl)C=CC=C21)C1=N[N-]N=N1	REAL000000005205	1	36	-1.0	-45.51	320.91	5.38	-40.13
CCCC(NC(=O)C1CC2=C(Cl)C=CC=C21)C1=NNN=N1	REAL000000005205	1	37	0.0	-11.55	324.09	5.39	-6.17
CCCC(NC(=O)C1=CC=C(C2=CSN=N2)C=C1)C1=NN=N[N-]1	REAL000000005206	0	37	-1.0	-51.79	331.26	3.70	-48.09
CCCC(NC(=O)C1=CC=C(C2=CSN=N2)C=C1)C1=N[N-]N=N1	REAL000000005206	1	37	-1.0	-51.78	331.20	3.69	-48.09
CCCC(NC(=O)C1=CC=C(C2=CSN=N2)C=C1)C1=NNN=N1	REAL000000005206	1	38	0.0	-17.26	334.64	3.71	-13.55
CCCC(NC(=O)CC1=CC=C(SCC)C=C1Br)C1=NN=N[N-]1	REAL000000005207	0	42	-1.0	-47.52	378.31	6.68	-40.84
CCCC(NC(=O)CC1=CC=C(SCC)C=C1Br)C1=N[N-]N=N1	REAL000000005207	1	42	-1.0	-47.51	378.25	6.67	-40.84
CCCC(NC(=O)CC1=CC=C(SCC)C=C1Br)C1=NNN=N1	REAL000000005207	1	43	0.0	-11.91	381.69	6.69	-5.22
CCCC(NC(=O)C1CCC2=CC=CC=C2CC1)C1=NN=N[N-]1	REAL000000005208	0	45	-1.0	-45.89	351.78	6.57	-39.32
CCCC(NC(=O)C1CCC2=CC=CC=C2CC1)C1=N[N-]N=N1	REAL000000005208	1	45	-1.0	-45.89	351.72	6.57	-39.32
CCCC(NC(=O)C1CCC2=CC=CC=C2CC1)C1=NNN=N1	REAL000000005208	1	46	0.0	-8.35	348.00	6.25	-2.09
CCCC(NC(=O)CC(C1CCC1)C1CCC1)C1=NN=N[N-]1	REAL000000005209	0	48	-1.0	-46.41	365.50	6.58	-39.82
CCCC(NC(=O)CC(C1CCC1)C1CCC1)C1=N[N-]N=N1	REAL000000005209	1	48	-1.0	-46.41	365.44	6.58	-39.82
CCCC(NC(=O)CC(C1CCC1)C1CCC1)C1=NNN=N1	REAL000000005209	1	49	0.0	-8.57	367.11	6.53	-2.04
CCCC(NC(=O)C(C)OCC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000005210	0	45	-1.0	-50.57	373.85	6.12	-44.44
CCCC(NC(=O)C(C)OCC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000005210	1	45	-1.0	-50.56	373.80	6.12	-44.45
CCCC(NC(=O)C(C)OCC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000005210	1	46	0.0	-14.28	377.23	6.13	-8.14
CCCC(NC(=O)C1=CC2=CC(Br)=CC=C2S1)C1=NN=N[N-]1	REAL000000005211	0	35	-1.0	-44.25	334.71	5.67	-38.58
CCCC(NC(=O)C1=CC2=CC(Br)=CC=C2S1)C1=N[N-]N=N1	REAL000000005211	1	35	-1.0	-44.25	334.65	5.66	-38.59
CCCC(NC(=O)C1=CC2=CC(Br)=CC=C2S1)C1=NNN=N1	REAL000000005211	1	36	0.0	-9.44	338.09	5.68	-3.77
CCCC(NC(=O)C1=C2SC=CC2=NC=N1)C1=NN=N[N-]1	REAL000000005212	0	33	-1.0	-45.37	301.29	2.97	-42.40
CCCC(NC(=O)C1=C2SC=CC2=NC=N1)C1=N[N-]N=N1	REAL000000005212	1	33	-1.0	-45.37	301.23	2.97	-42.40
CCCC(NC(=O)C1=C2SC=CC2=NC=N1)C1=NNN=N1	REAL000000005212	1	34	0.0	-10.77	304.67	2.98	-7.79
CCCC(NC(=O)C1COC2=CC(F)=CC=C2C1)C1=NN=N[N-]1	REAL000000005223	0	40	-1.0	-43.04	335.39	4.24	-38.81
CCCC(NC(=O)C1COC2=CC(F)=CC=C2C1)C1=N[N-]N=N1	REAL000000005223	1	40	-1.0	-43.04	335.33	4.24	-38.80
CCCC(NC(=O)C1COC2=CC(F)=CC=C2C1)C1=NNN=N1	REAL000000005223	1	41	0.0	-10.41	338.64	4.25	-6.15
CCCC(NC(=O)C1=C(C)OC(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000005224	0	38	-1.0	-50.36	339.29	0.04	-50.32
CCCC(NC(=O)C1=C(C)OC(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL000000005224	1	38	-1.0	-50.36	339.23	0.03	-50.33
CCCC(NC(=O)C1=C(C)OC(S(C)(=O)=O)=C1)C1=NNN=N1	REAL000000005224	1	39	0.0	-15.67	335.47	-0.28	-15.95
CCCC(NC(=O)C(C)OCC1=CC=CC=C1C)C1=NN=N[N-]1	REAL000000005225	0	45	-1.0	-51.86	368.61	6.17	-45.69
CCCC(NC(=O)C(C)OCC1=CC=CC=C1C)C1=N[N-]N=N1	REAL000000005225	1	45	-1.0	-51.86	368.55	6.16	-45.70
CCCC(NC(=O)C(C)OCC1=CC=CC=C1C)C1=NNN=N1	REAL000000005225	1	46	0.0	-14.28	371.99	6.18	-8.10
CCCC(NC(=O)C1=CSC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000005226	0	32	-1.0	-45.47	306.23	3.75	-41.72
CCCC(NC(=O)C1=CSC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000005226	1	32	-1.0	-45.46	306.17	3.75	-41.71
CCCC(NC(=O)C1=CSC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000005226	1	33	0.0	-8.26	302.40	3.43	-4.83
CCCC(NC(=O)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000005227	0	45	-1.0	-46.16	358.58	6.69	-39.47
CCCC(NC(=O)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000005227	1	45	-1.0	-46.16	358.52	6.69	-39.47
CCCC(NC(=O)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1)C1=NNN=N1	REAL000000005227	1	46	0.0	-10.87	363.38	6.71	-4.16
CCCC(NC(=O)C1=CN(CCCOC)N=C1)C1=NN=N[N-]1	REAL000000005228	0	42	-1.0	-48.40	356.08	2.08	-46.32
CCCC(NC(=O)C1=CN(CCCOC)N=C1)C1=N[N-]N=N1	REAL000000005228	1	42	-1.0	-48.40	356.02	2.07	-46.33
CCCC(NC(=O)C1=CN(CCCOC)N=C1)C1=NNN=N1	REAL000000005228	1	43	0.0	-13.89	359.46	2.08	-11.81
CCCC(NC(=O)C1=NN(C2CCOCC2)C(C)=C1)C1=NN=N[N-]1	REAL000000005229	0	46	-1.0	-51.74	373.92	2.97	-48.77
CCCC(NC(=O)C1=NN(C2CCOCC2)C(C)=C1)C1=N[N-]N=N1	REAL000000005229	1	46	-1.0	-51.75	373.86	2.97	-48.77
CCCC(NC(=O)C1=NN(C2CCOCC2)C(C)=C1)C1=NNN=N1	REAL000000005229	1	47	0.0	-13.25	377.28	2.98	-10.27
CCCC(NC(=O)C1CC(=O)N(C2=CN(C)N=C2)C1)C1=NN=N[N-]1	REAL000000005230	0	43	-1.0	-49.55	359.89	2.44	-47.12
CCCC(NC(=O)C1CC(=O)N(C2=CN(C)N=C2)C1)C1=N[N-]N=N1	REAL000000005230	1	43	-1.0	-49.54	359.83	2.44	-47.10
CCCC(NC(=O)C1CC(=O)N(C2=CN(C)N=C2)C1)C1=NNN=N1	REAL000000005230	1	44	0.0	-16.95	363.27	2.45	-14.51
CCCC(NC(=O)C1=C2C=CSC2=CN=C1)C1=NN=N[N-]1	REAL000000005231	0	34	-1.0	-46.48	302.25	3.19	-43.29
CCCC(NC(=O)C1=C2C=CSC2=CN=C1)C1=N[N-]N=N1	REAL000000005231	1	34	-1.0	-46.48	302.20	3.19	-43.29
CCCC(NC(=O)C1=C2C=CSC2=CN=C1)C1=NNN=N1	REAL000000005231	1	35	0.0	-11.10	305.63	3.20	-7.90
CCCC(NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL000000005232	0	39	-1.0	-48.83	357.29	5.90	-42.93
CCCC(NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL000000005232	1	39	-1.0	-48.83	357.23	5.89	-42.94
CCCC(NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000005232	1	40	0.0	-11.35	353.49	5.47	-5.88
CCCC(NC(=O)C1=C(C)N=C(SCC2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL000000005253	0	45	-1.0	-43.85	403.65	6.53	-37.33
CCCC(NC(=O)C1=C(C)N=C(SCC2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL000000005253	1	45	-1.0	-43.85	403.60	6.52	-37.33
CCCC(NC(=O)C1=C(C)N=C(SCC2=CC=CC=C2)S1)C1=NNN=N1	REAL000000005253	1	46	0.0	-9.62	407.03	6.54	-3.08
CCCC(NC(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL000000005254	0	39	-1.0	-49.95	341.78	4.74	-45.21
CCCC(NC(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL000000005254	1	39	-1.0	-49.95	341.72	4.73	-45.22
CCCC(NC(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000005254	1	40	0.0	-11.21	337.93	4.41	-6.79
CCCC(NC(=O)C1=C(Cl)C2=CC=CN=C2S1)C1=NN=N[N-]1	REAL000000005255	0	34	-1.0	-47.38	321.02	3.66	-43.72
CCCC(NC(=O)C1=C(Cl)C2=CC=CN=C2S1)C1=N[N-]N=N1	REAL000000005255	1	34	-1.0	-47.38	320.96	3.66	-43.72
CCCC(NC(=O)C1=C(Cl)C2=CC=CN=C2S1)C1=NNN=N1	REAL000000005255	1	35	0.0	-11.98	324.40	3.66	-8.32
CCCC(NC(=O)CCC1=CC(OC)=C(O)C(OC)=C1)C1=NN=N[N-]1	REAL000000005256	0	47	-1.0	-47.76	389.86	2.17	-45.59
CCCC(NC(=O)CCC1=CC(OC)=C(O)C(OC)=C1)C1=N[N-]N=N1	REAL000000005256	1	47	-1.0	-47.75	389.80	2.17	-45.58
CCCC(NC(=O)CCC1=CC(OC)=C(O)C(OC)=C1)C1=NNN=N1	REAL000000005256	1	48	0.0	-14.98	393.23	2.18	-12.80
CCCC(NC(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1)C1=NN=N[N-]1	REAL000000005257	0	42	-1.0	-49.95	356.67	3.57	-46.38
CCCC(NC(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1)C1=N[N-]N=N1	REAL000000005257	1	42	-1.0	-49.95	356.61	3.57	-46.37
CCCC(NC(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1)C1=NNN=N1	REAL000000005257	1	43	0.0	-12.74	359.66	3.61	-9.13
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)C1=NN=N[N-]1	REAL000000005258	0	48	-1.0	-48.13	396.37	7.25	-40.88
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)C1=N[N-]N=N1	REAL000000005258	1	48	-1.0	-48.13	396.31	7.25	-40.89
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)C1=NNN=N1	REAL000000005258	1	49	0.0	-13.91	391.42	7.86	-6.05
CCCC(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)N=C1)C1=NN=N[N-]1	REAL000000005259	0	42	-1.0	-44.29	367.52	4.07	-40.22
CCCC(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)N=C1)C1=N[N-]N=N1	REAL000000005259	1	42	-1.0	-44.29	367.46	4.07	-40.22
CCCC(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)N=C1)C1=NNN=N1	REAL000000005259	1	43	0.0	-11.20	370.90	4.08	-7.12
CCCC(NC(=O)C1=CC=CC(N2CCCC2)=C1)C1=NN=N[N-]1	REAL000000005260	0	44	-1.0	-48.89	352.18	4.16	-44.73
CCCC(NC(=O)C1=CC=CC(N2CCCC2)=C1)C1=N[N-]N=N1	REAL000000005260	1	44	-1.0	-48.88	352.12	4.16	-44.72
CCCC(NC(=O)C1=CC=CC(N2CCCC2)=C1)C1=NNN=N1	REAL000000005260	1	45	0.0	-12.30	355.55	4.17	-8.13
CCCC(NC(=O)C1=C2C=CC=C(Br)N2N=C1)C1=NN=N[N-]1	REAL000000005261	0	35	-1.0	-49.40	323.02	3.86	-45.54
CCCC(NC(=O)C1=C2C=CC=C(Br)N2N=C1)C1=N[N-]N=N1	REAL000000005261	1	35	-1.0	-49.40	322.96	3.86	-45.54
CCCC(NC(=O)C1=C2C=CC=C(Br)N2N=C1)C1=NNN=N1	REAL000000005261	1	36	0.0	-11.22	319.21	3.55	-7.67
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2F)N=C1)C1=NN=N[N-]1	REAL000000005262	0	42	-1.0	-47.13	367.86	4.01	-43.12
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2F)N=C1)C1=N[N-]N=N1	REAL000000005262	1	42	-1.0	-47.13	367.80	4.01	-43.12
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2F)N=C1)C1=NNN=N1	REAL000000005262	1	43	0.0	-14.18	371.24	4.02	-10.16
CCCC(NC(=O)C(CCC(C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000005273	0	57	-1.0	-42.25	437.13	3.95	-38.30
CCCC(NC(=O)C(CCC(C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000005273	1	57	-1.0	-42.25	437.07	3.95	-38.30
CCCC(NC(=O)C(CCC(C)C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005273	1	58	0.0	-9.62	440.51	3.96	-5.66
CCCC(NC(=O)C(C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C1=NN=N[N-]1	REAL000000005274	0	56	-1.0	-57.88	434.53	4.72	-53.16
CCCC(NC(=O)C(C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C1=N[N-]N=N1	REAL000000005274	1	56	-1.0	-57.88	434.47	4.71	-53.17
CCCC(NC(=O)C(C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C1=NNN=N1	REAL000000005274	1	57	0.0	-21.06	437.83	4.86	-16.21
CCCC(NC(=O)C[C@H](C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000005275	0	48	-1.0	-51.02	384.83	2.39	-48.63
CCCC(NC(=O)C[C@H](C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000005275	1	48	-1.0	-51.00	384.78	2.38	-48.62
CCCC(NC(=O)C[C@H](C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005275	1	49	0.0	-16.20	388.21	2.40	-13.79
CCCC(NC(=O)C1=CCC(NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000005276	0	50	-1.0	-47.03	401.02	3.05	-43.98
CCCC(NC(=O)C1=CCC(NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000005276	1	50	-1.0	-47.03	400.97	3.05	-43.98
CCCC(NC(=O)C1=CCC(NC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000005276	1	51	0.0	-10.28	397.09	2.76	-7.52
CCCC(NC(=O)C=CC1=CC=C(C(N)=O)O1)C1=NN=N[N-]1	REAL000000005277	0	37	-1.0	-46.73	331.45	-0.09	-46.82
CCCC(NC(=O)C=CC1=CC=C(C(N)=O)O1)C1=N[N-]N=N1	REAL000000005277	1	37	-1.0	-46.73	331.40	-0.10	-46.83
CCCC(NC(=O)C=CC1=CC=C(C(N)=O)O1)C1=NNN=N1	REAL000000005277	1	38	0.0	-13.90	334.83	-0.08	-13.98
CCCC(NC(=O)C1=C(C)C=C(S(N)(=O)=O)O1)C1=NN=N[N-]1	REAL000000005278	0	37	-1.0	-47.71	333.14	-2.66	-50.37
CCCC(NC(=O)C1=C(C)C=C(S(N)(=O)=O)O1)C1=N[N-]N=N1	REAL000000005278	1	37	-1.0	-47.70	333.08	-2.66	-50.36
CCCC(NC(=O)C1=CC(SC)=CC=C1O)C1=NN=N[N-]1	REAL000000005279	0	37	-1.0	-49.22	323.33	3.20	-46.02
CCCC(NC(=O)C1=CC(SC)=CC=C1O)C1=N[N-]N=N1	REAL000000005279	1	37	-1.0	-49.22	323.27	3.19	-46.03
CCCC(NC(=O)C(=O)NC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL000000005280	0	36	-1.0	-46.86	328.57	2.14	-44.72
CCCC(NC(=O)C(=O)NC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL000000005280	1	36	-1.0	-46.86	328.52	2.14	-44.72
CCCC(NC(=O)C(=O)NC1=C(F)C=CC=C1F)C1=NNN=N1	REAL000000005280	1	37	0.0	-12.36	331.95	2.15	-10.21
CCCC(NC(=O)CC1=C(C)N(C2=CC=CC=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000005281	0	49	-1.0	-51.50	406.50	8.34	-43.16
CCCC(NC(=O)CC1=C(C)N(C2=CC=CC=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000005281	1	49	-1.0	-51.50	406.45	8.33	-43.18
CCCC(NC(=O)CC1=C(C)N(C2=CC=CC=C2)C(C)=C1)C1=NNN=N1	REAL000000005281	1	50	0.0	-13.73	409.89	8.35	-5.38
CCCC(NC(=O)C1=CC=C2C(=C1)N=CN2C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL000000005282	0	48	-1.0	-52.49	402.33	8.94	-43.56
CCCC(NC(=O)C1=CC=C2C(=C1)N=CN2C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL000000005282	1	48	-1.0	-52.50	402.28	8.93	-43.57
CCCC(NC(=O)C1=CC=C2C(=C1)N=CN2C1=CC=CC(C)=C1)C1=NNN=N1	REAL000000005282	1	49	0.0	-16.38	405.72	8.95	-7.43
CCCC(NC(=O)C1=C2C(=CN=C1)N=C(C(F)(F)F)N2C)C1=NN=N[N-]1	REAL000000005283	0	40	-1.0	-41.28	350.63	3.11	-38.17
CCCC(NC(=O)C1=C2C(=CN=C1)N=C(C(F)(F)F)N2C)C1=N[N-]N=N1	REAL000000005283	1	40	-1.0	-41.27	350.56	3.11	-38.16
CCCC(NC(=O)C1=C2C(=CN=C1)N=C(C(F)(F)F)N2C)C1=NNN=N1	REAL000000005283	1	41	0.0	-10.60	349.56	3.26	-7.34
CCCC(NC(=O)C1CCC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL000000005284	0	39	-1.0	-46.42	326.29	5.49	-40.93
CCCC(NC(=O)C1CCC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL000000005284	1	39	-1.0	-46.41	326.23	5.48	-40.92
CCCC(NC(=O)C1CCC2=CC(F)=CC=C21)C1=NNN=N1	REAL000000005284	1	40	0.0	-7.61	322.51	5.17	-2.44
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL000000005285	0	45	-1.0	-46.16	365.31	6.87	-39.29
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL000000005285	1	45	-1.0	-46.16	365.25	6.87	-39.29
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(C)C(C)=C1)C1=NNN=N1	REAL000000005285	1	46	0.0	-8.01	361.49	6.56	-1.45
CCCC(NC(=O)C1=CN(CCOCC)N=C1)C1=NN=N[N-]1	REAL000000005286	0	42	-1.0	-46.40	356.44	2.28	-44.12
CCCC(NC(=O)C1=CN(CCOCC)N=C1)C1=N[N-]N=N1	REAL000000005286	1	42	-1.0	-46.40	356.38	2.27	-44.13
CCCC(NC(=O)C1=CN(CCOCC)N=C1)C1=NNN=N1	REAL000000005286	1	43	0.0	-12.05	359.81	2.29	-9.77
CCCC(NC(=O)C1CCCC1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000005287	0	48	-1.0	-48.85	382.43	7.45	-41.39
CCCC(NC(=O)C1CCCC1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000005287	1	48	-1.0	-48.85	382.38	7.46	-41.40
CCCC(NC(=O)C1CCCC1CC1=CC=CC=C1)C1=NNN=N1	REAL000000005287	1	49	0.0	-11.46	385.99	7.56	-3.89
CCCC(NC(=O)C1=CC=NN1CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000005288	0	45	-1.0	-45.25	377.67	6.01	-39.23
CCCC(NC(=O)C1=CC=NN1CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000005288	1	45	-1.0	-45.24	377.61	6.00	-39.24
CCCC(NC(=O)C1=CC=NN1CCC1=CC=CC=C1)C1=NNN=N1	REAL000000005288	1	46	0.0	-8.43	374.34	5.66	-2.77
CCCC(NC(=O)C=CC1=CC=CC(OCC)=C1)C1=NN=N[N-]1	REAL000000005289	0	43	-1.0	-48.26	360.22	5.08	-43.18
CCCC(NC(=O)C=CC1=CC=CC(OCC)=C1)C1=N[N-]N=N1	REAL000000005289	1	43	-1.0	-48.26	360.16	5.07	-43.19
CCCC(NC(=O)C=CC1=CC=CC(OCC)=C1)C1=NNN=N1	REAL000000005289	1	44	0.0	-9.54	356.36	4.76	-4.78
CCCC(NC(=O)C=CC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000005290	0	40	-1.0	-47.21	338.31	4.16	-43.04
CCCC(NC(=O)C=CC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000005290	1	40	-1.0	-47.20	338.25	4.16	-43.04
CCCC(NC(=O)C=CC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000005290	1	41	0.0	-12.10	341.68	4.17	-7.93
CCCC(NC(=O)CC1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL000000005291	0	35	-1.0	-44.82	321.57	4.89	-39.94
CCCC(NC(=O)CC1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL000000005291	1	35	-1.0	-44.83	321.52	4.89	-39.94
CCCC(NC(=O)CC1=CC=C(F)C(Cl)=C1)C1=NNN=N1	REAL000000005291	1	36	0.0	-12.94	324.95	4.89	-8.05
CCCC(NC(=O)CCOC1=CC=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL000000005292	0	39	-1.0	-45.54	351.44	4.54	-41.00
CCCC(NC(=O)CCOC1=CC=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL000000005292	1	39	-1.0	-45.53	351.38	4.53	-41.01
CCCC(NC(=O)CCOC1=CC=C(Cl)C(F)=C1)C1=NNN=N1	REAL000000005292	1	40	0.0	-11.87	354.82	4.55	-7.33
CCCC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=NN=N[N-]1	REAL000000005303	0	36	-1.0	-46.17	320.96	0.31	-45.86
CCCC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=N[N-]N=N1	REAL000000005303	1	36	-1.0	-46.17	320.90	0.30	-45.87
CCCC(NC(=O)COCC1=NC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL000000005304	0	44	-1.0	-56.88	384.36	3.35	-53.53
CCCC(NC(=O)COCC1=NC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL000000005304	1	44	-1.0	-56.88	384.30	3.34	-53.54
CCCC(NC(=O)COCC1=NC(C2=CC=CC=C2)=NO1)C1=NNN=N1	REAL000000005304	1	45	0.0	-21.32	387.73	3.36	-17.96
CCCC(NC(=O)CNC(=O)C1=CN=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL000000005305	0	38	-1.0	-42.33	360.37	1.26	-41.07
CCCC(NC(=O)CNC(=O)C1=CN=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL000000005305	1	38	-1.0	-42.33	360.31	1.25	-41.08
CCCC(NC(=O)CNC(=O)C1=CN=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000005305	1	39	0.0	-11.49	363.75	1.27	-10.23
CCCC(NC(=O)C1=C(C(F)(F)F)C=NN1)C1=NN=N[N-]1	REAL000000005306	0	32	-1.0	-44.79	292.42	1.18	-43.61
CCCC(NC(=O)C1=C(C(F)(F)F)C=NN1)C1=N[N-]N=N1	REAL000000005306	1	32	-1.0	-44.78	292.36	1.17	-43.62
CCCC(NC(=O)C1=C(C(F)(F)F)C=NN1)C1=NNN=N1	REAL000000005306	1	33	0.0	-12.34	295.80	1.19	-11.15
CCCC(NC(=O)CCCN1C(=O)[N-]NC1=O)C1=N[N-]N=N1	REAL000000005307	0	38	-2.0	-95.58	332.95	-1.17	-96.76
CCCC(NC(=O)CCCN1C(=O)[N-]NC1=O)C1=NN=N[N-]1	REAL000000005307	1	38	-2.0	-95.58	333.00	-1.17	-96.75
CCCC(NC(=O)C1=CC=C(NC2=NN(C)C=C2)C=C1)C1=NN=N[N-]1	REAL000000005308	0	44	-1.0	-50.82	367.38	4.69	-46.13
CCCC(NC(=O)C1=CC=C(NC2=NN(C)C=C2)C=C1)C1=N[N-]N=N1	REAL000000005308	1	44	-1.0	-50.82	367.32	4.68	-46.14
CCCC(NC(=O)C1=CC=C(NC2=NN(C)C=C2)C=C1)C1=NNN=N1	REAL000000005308	1	45	0.0	-15.26	370.76	4.70	-10.56
CCCC(NC(=O)CC1CCN(CC(F)(F)F)CC1)C1=NN=N[N-]1	REAL000000005309	0	46	-1.0	-44.30	370.70	3.39	-40.91
CCCC(NC(=O)CC1CCN(CC(F)(F)F)CC1)C1=N[N-]N=N1	REAL000000005309	1	46	-1.0	-44.30	370.65	3.39	-40.91
CCCC(NC(=O)CC1CCN(CC(F)(F)F)CC1)C1=NNN=N1	REAL000000005309	1	47	0.0	-10.11	374.06	3.40	-6.71
CCCC(NC(=O)C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)C1=NN=N[N-]1	REAL000000005310	0	43	-1.0	-52.28	355.38	1.55	-50.73
CCCC(NC(=O)C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)C1=N[N-]N=N1	REAL000000005310	1	43	-1.0	-52.27	355.32	1.55	-50.72
CCCC(NC(=O)C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)C1=NNN=N1	REAL000000005310	1	44	0.0	-10.94	358.66	2.07	-8.87
CCCC(NC(=O)C1=C2C(=CN=C1)N=CN2C)C1=NN=N[N-]1	REAL000000005311	0	37	-1.0	-44.86	312.35	3.02	-41.84
CCCC(NC(=O)C1=C2C(=CN=C1)N=CN2C)C1=N[N-]N=N1	REAL000000005311	1	37	-1.0	-44.87	312.30	3.02	-41.85
CCCC(NC(=O)C1=C2C(=CN=C1)N=CN2C)C1=NNN=N1	REAL000000005311	1	38	0.0	-12.97	315.73	3.04	-9.94
CCCC(NC(=O)C1=C(C)NN=C1I)C1=NN=N[N-]1	REAL000000005312	0	32	-1.0	-47.21	307.78	1.48	-45.73
CCCC(NC(=O)C1=C(C)NN=C1I)C1=N[N-]N=N1	REAL000000005312	1	32	-1.0	-47.20	307.72	1.47	-45.74
CCCC(NC(=O)C1=C(C)NN=C1I)C1=NNN=N1	REAL000000005312	1	33	0.0	-12.56	311.16	1.49	-11.07
CCCC(NC(=O)CCN1C=NC2=C(N)N=CN=C21)C1=NN=N[N-]1	REAL000000005323	0	41	-1.0	-46.44	352.47	3.68	-42.76
CCCC(NC(=O)CCN1C=NC2=C(N)N=CN=C21)C1=N[N-]N=N1	REAL000000005323	1	41	-1.0	-46.44	352.41	3.68	-42.75
CCCC(NC(=O)CCN1C=NC2=C(N)N=CN=C21)C1=NNN=N1	REAL000000005323	1	42	0.0	-16.50	355.84	3.69	-12.81
CCCC(NC(=O)C1=CC2=CC(O)=C(O)C=C2S1)C1=NN=N[N-]1	REAL000000005324	0	37	-1.0	-48.11	335.19	0.14	-47.97
CCCC(NC(=O)C1=CC2=CC(O)=C(O)C=C2S1)C1=N[N-]N=N1	REAL000000005324	1	37	-1.0	-48.10	335.13	0.13	-47.98
CCCC(NC(=O)C1=CC2=CC(O)=C(O)C=C2S1)C1=NNN=N1	REAL000000005324	1	38	0.0	-12.89	338.56	0.14	-12.75
CCCC(NC(=O)C1=CNN=C1I)C1=NN=N[N-]1	REAL000000005325	0	29	-1.0	-48.11	281.17	0.98	-47.13
CCCC(NC(=O)C1=CNN=C1I)C1=N[N-]N=N1	REAL000000005325	1	29	-1.0	-48.11	281.12	0.97	-47.14
CCCC(NC(=O)C1=CNN=C1I)C1=NNN=N1	REAL000000005325	1	30	0.0	-11.33	277.36	0.66	-10.68
CCCC(NC(=O)C1=NC(C2=CN=CC=N2)=NO1)C1=NN=N[N-]1	REAL000000005326	0	35	-1.0	-46.69	319.32	-1.56	-48.26
CCCC(NC(=O)C1=NC(C2=CN=CC=N2)=NO1)C1=N[N-]N=N1	REAL000000005326	1	35	-1.0	-46.69	319.26	-1.56	-48.25
CCCC(NC(=O)C1=NC(C2=CN=CC=N2)=NO1)C1=NNN=N1	REAL000000005326	1	36	0.0	-14.95	322.70	-1.55	-16.51
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CCN1C)C1=NN=N[N-]1	REAL000000005327	0	54	-1.0	-45.50	416.24	2.12	-43.39
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CCN1C)C1=N[N-]N=N1	REAL000000005327	1	54	-1.0	-45.51	416.18	2.12	-43.39
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CCN1C)C1=NNN=N1	REAL000000005327	1	55	0.0	-10.84	419.61	2.13	-8.71
C#CCN(CC(=O)NC(CCC)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL000000005328	0	47	-1.0	-56.79	388.38	4.81	-51.98
C#CCN(CC(=O)NC(CCC)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL000000005328	1	47	-1.0	-56.78	388.32	4.80	-51.98
C#CCN(CC(=O)NC(CCC)C1=NNN=N1)C(=O)OC(C)(C)C	REAL000000005328	1	48	0.0	-17.56	391.79	4.82	-12.74
CCCC(NC(=O)CC1CCCS1(=O)=O)C1=NN=N[N-]1	REAL000000005329	0	38	-1.0	-68.14	319.82	0.25	-67.89
CCCC(NC(=O)CC1CCCS1(=O)=O)C1=N[N-]N=N1	REAL000000005329	1	38	-1.0	-68.14	319.76	0.25	-67.89
CCCC(NC(=O)CC1CCCS1(=O)=O)C1=NNN=N1	REAL000000005329	1	39	0.0	-24.40	323.38	0.20	-24.20
CCCC(NC(=O)C=CC(=O)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000005330	0	41	-1.0	-44.79	352.79	5.40	-39.39
CCCC(NC(=O)C=CC(=O)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000005330	1	41	-1.0	-44.80	352.74	5.40	-39.40
CCCC(NC(=O)C=CC(=O)C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000005330	1	42	0.0	-11.24	356.17	5.41	-5.83
CCCC(NC(=O)C1=CC=C2NC=NC2=C1F)C1=NN=N[N-]1	REAL000000005331	0	35	-1.0	-60.65	304.52	3.38	-57.28
CCCC(NC(=O)C1=CC=C2NC=NC2=C1F)C1=N[N-]N=N1	REAL000000005331	1	35	-1.0	-60.65	304.46	3.38	-57.27
CCCC(NC(=O)C1=CC=C2NC=NC2=C1F)C1=NNN=N1	REAL000000005331	1	36	0.0	-23.35	307.90	3.39	-19.96
CCCC(NC(=O)C1=CC=CC(N2N=NN=C2N)=C1)C1=NN=N[N-]1	REAL000000005332	0	39	-1.0	-56.79	335.41	3.56	-53.22
CCCC(NC(=O)C1=CC=CC(N2N=NN=C2N)=C1)C1=N[N-]N=N1	REAL000000005332	1	39	-1.0	-56.79	335.35	3.56	-53.22
CCCC(NC(=O)C1=CC=CC(N2N=NN=C2N)=C1)C1=NNN=N1	REAL000000005332	1	40	0.0	-22.44	338.82	3.57	-18.87
CCCC(NC(=O)C1=CN=C(Br)N1CC)C1=NN=N[N-]1	REAL000000005333	0	35	-1.0	-42.49	316.96	3.43	-39.06
CCCC(NC(=O)C1=CN=C(Br)N1CC)C1=N[N-]N=N1	REAL000000005333	1	35	-1.0	-42.48	316.90	3.42	-39.06
CCCC(NC(=O)C1=CN=C(Br)N1CC)C1=NNN=N1	REAL000000005333	1	36	0.0	-7.79	313.54	3.07	-4.71
CCCC(NC(=O)C1=CC(C(F)(F)F)=CNC1=O)C1=NN=N[N-]1	REAL000000005334	0	35	-1.0	-55.21	315.58	1.83	-53.38
CCCC(NC(=O)C1=CC(C(F)(F)F)=CNC1=O)C1=N[N-]N=N1	REAL000000005334	1	35	-1.0	-55.22	315.52	1.83	-53.38
CCCC(NC(=O)C1=CC(C(F)(F)F)=CNC1=O)C1=NNN=N1	REAL000000005334	1	36	0.0	-15.73	318.96	1.84	-13.89
CCCC(NC(=O)C(CO)NC(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000005335	0	47	-1.0	-47.18	400.70	0.02	-47.16
CCCC(NC(=O)C(CO)NC(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000005335	1	47	-1.0	-47.17	400.65	0.01	-47.16
CCCC(NC(=O)C(CO)NC(=O)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000005335	1	48	0.0	-13.88	404.09	0.03	-13.85
CCCC(NC(=O)C1=CN2C=CN=C2C(Br)=C1)C1=NN=N[N-]1	REAL000000005336	0	35	-1.0	-44.03	321.99	4.77	-39.26
CCCC(NC(=O)C1=CN2C=CN=C2C(Br)=C1)C1=N[N-]N=N1	REAL000000005336	1	35	-1.0	-44.02	321.93	4.76	-39.26
CCCC(NC(=O)C1=CN2C=CN=C2C(Br)=C1)C1=NNN=N1	REAL000000005336	1	36	0.0	-12.85	325.37	4.78	-8.08
CCCC(NC(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1)C1=NN=N[N-]1	REAL000000005337	0	51	-1.0	-44.31	418.45	2.39	-41.92
CCCC(NC(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1)C1=N[N-]N=N1	REAL000000005337	1	51	-1.0	-44.31	418.40	2.38	-41.93
CCCC(NC(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1)C1=NNN=N1	REAL000000005337	1	52	0.0	-12.08	421.84	2.40	-9.68
CCCC(NC(=O)C1=CC(I)=NN1C)C1=NN=N[N-]1	REAL000000005338	0	32	-1.0	-41.74	303.17	2.29	-39.45
CCCC(NC(=O)C1=CC(I)=NN1C)C1=N[N-]N=N1	REAL000000005338	1	32	-1.0	-41.73	303.11	2.29	-39.44
CCCC(NC(=O)C1=CC(I)=NN1C)C1=NNN=N1	REAL000000005338	1	33	0.0	-7.21	299.22	1.97	-5.25
CCCC(NC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000005339	0	55	-1.0	-52.32	425.79	3.72	-48.60
CCCC(NC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000005339	1	55	-1.0	-52.31	425.73	3.71	-48.60
CCCC(NC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000005339	1	56	0.0	-14.86	429.16	3.72	-11.14
CCCC(NC(=O)C(C)=CC1=CC=C(Br)O1)C1=NN=N[N-]1	REAL000000005340	0	36	-1.0	-43.77	325.16	4.57	-39.20
CCCC(NC(=O)C(C)=CC1=CC=C(Br)O1)C1=N[N-]N=N1	REAL000000005340	1	36	-1.0	-43.77	325.10	4.57	-39.20
CCCC(NC(=O)C(C)=CC1=CC=C(Br)O1)C1=NNN=N1	REAL000000005340	1	37	0.0	-6.97	321.75	4.23	-2.75
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)C1=NN=N[N-]1	REAL000000005341	0	42	-1.0	-49.87	377.68	4.49	-45.39
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)C1=N[N-]N=N1	REAL000000005341	1	42	-1.0	-49.88	377.62	4.49	-45.39
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)C1=NNN=N1	REAL000000005341	1	43	0.0	-10.63	373.86	4.16	-6.46
CCCC(NC(=O)C1=CC=C2C(C=O)=CNC2=C1)C1=NN=N[N-]1	REAL000000005342	0	38	-1.0	-55.93	327.61	3.43	-52.50
CCCC(NC(=O)C1=CC=C2C(C=O)=CNC2=C1)C1=N[N-]N=N1	REAL000000005342	1	38	-1.0	-55.93	327.55	3.43	-52.50
CCCC(NC(=O)C1=CC=C2C(C=O)=CNC2=C1)C1=NNN=N1	REAL000000005342	1	39	0.0	-19.47	330.98	3.44	-16.03
CCCC(NC(=O)C1=CC=C(C)C(N2C(C)=CC(C=O)=C2C)=C1)C1=NN=N[N-]1	REAL000000005343	0	51	-1.0	-51.48	422.58	8.27	-43.21
CCCC(NC(=O)C1=CC=C(C)C(N2C(C)=CC(C=O)=C2C)=C1)C1=N[N-]N=N1	REAL000000005343	1	51	-1.0	-51.48	422.52	8.27	-43.21
CCCC(NC(=O)C1=CC=C(C)C(N2C(C)=CC(C=O)=C2C)=C1)C1=NNN=N1	REAL000000005343	1	52	0.0	-13.21	418.75	7.94	-5.26
CCCC(NC(=O)C1=CC=CC(N2C(C)=CC(C=O)=C2C)=C1)C1=NN=N[N-]1	REAL000000005344	0	48	-1.0	-50.61	399.22	7.27	-43.34
CCCC(NC(=O)C1=CC=CC(N2C(C)=CC(C=O)=C2C)=C1)C1=N[N-]N=N1	REAL000000005344	1	48	-1.0	-50.61	399.17	7.27	-43.33
CCCC(NC(=O)C1=CC=CC(N2C(C)=CC(C=O)=C2C)=C1)C1=NNN=N1	REAL000000005344	1	49	0.0	-12.99	395.39	6.96	-6.04
CCCC(NC(=O)C1=CC(Br)=CC(C=O)=C1)C1=NN=N[N-]1	REAL000000005346	0	34	-1.0	-51.14	318.89	3.99	-47.15
CCCC(NC(=O)C1=CC(Br)=CC(C=O)=C1)C1=N[N-]N=N1	REAL000000005346	1	34	-1.0	-51.14	318.83	3.98	-47.16
CCCC(NC(=O)C1=CC(Br)=CC(C=O)=C1)C1=NNN=N1	REAL000000005346	1	35	0.0	-11.75	315.08	3.67	-8.09
CCCC(NC(=O)C1=CN([C@@H]2CC[C@H]2O)N=N1)C1=NN=N[N-]1	REAL000000005347	0	39	-1.0	-47.58	332.35	-1.46	-49.03
CCCC(NC(=O)C1=CN([C@@H]2CC[C@H]2O)N=N1)C1=N[N-]N=N1	REAL000000005347	1	39	-1.0	-47.58	332.29	-1.45	-49.03
CCCC(NC(=O)C1=CN([C@@H]2CC[C@H]2O)N=N1)C1=NNN=N1	REAL000000005347	1	40	0.0	-12.28	328.54	-1.77	-14.05
CCCC(NC(=O)C1=CN2C(C=O)=CN=C2C(Br)=C1)C1=NN=N[N-]1	REAL000000005348	0	37	-1.0	-43.04	345.59	4.34	-38.69
CCCC(NC(=O)C1=CN2C(C=O)=CN=C2C(Br)=C1)C1=N[N-]N=N1	REAL000000005348	1	37	-1.0	-43.04	345.53	4.33	-38.70
CCCC(NC(=O)C1=CN2C(C=O)=CN=C2C(Br)=C1)C1=NNN=N1	REAL000000005348	1	38	0.0	-14.35	348.96	4.35	-10.00
CCCC(NC(=O)C1=CN=C2SC=CC2=C1)C1=NN=N[N-]1	REAL000000005349	0	34	-1.0	-45.48	306.30	3.11	-42.37
CCCC(NC(=O)C1=CN=C2SC=CC2=C1)C1=N[N-]N=N1	REAL000000005349	1	34	-1.0	-45.47	306.24	3.11	-42.36
CCCC(NC(=O)C1=CN=C2SC=CC2=C1)C1=NNN=N1	REAL000000005349	1	35	0.0	-11.71	309.67	3.12	-8.59
CCCC(NC(=O)CC(F)(F)C(F)(F)F)C1=NN=N[N-]1	REAL000000005350	0	31	-1.0	-45.68	288.89	2.65	-43.03
CCCC(NC(=O)CC(F)(F)C(F)(F)F)C1=N[N-]N=N1	REAL000000005350	1	31	-1.0	-45.68	288.83	2.65	-43.02
CCCC(NC(=O)CC(F)(F)C(F)(F)F)C1=NNN=N1	REAL000000005350	1	32	0.0	-12.53	292.27	2.66	-9.87
CCCC(NC(=O)C1=CC2=C(Cl)N=CC=C2O1)C1=NN=N[N-]1	REAL000000005351	0	34	-1.0	-44.12	317.23	2.72	-41.40
CCCC(NC(=O)C1=CC2=C(Cl)N=CC=C2O1)C1=N[N-]N=N1	REAL000000005351	1	34	-1.0	-44.12	317.17	2.71	-41.41
CCCC(NC(=O)C1=CC2=C(Cl)N=CC=C2O1)C1=NNN=N1	REAL000000005351	1	35	0.0	-8.73	313.43	2.39	-6.34
CCCC(NC(=O)CCNC(=O)C1=CC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL000000005352	0	46	-1.0	-54.73	389.21	2.70	-52.03
CCCC(NC(=O)CCNC(=O)C1=CC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL000000005352	1	46	-1.0	-54.72	389.15	2.70	-52.02
CCCC(NC(=O)CCNC(=O)C1=CC2=CC=CC=C2N1)C1=NNN=N1	REAL000000005352	1	47	0.0	-17.08	385.40	2.39	-14.70
CCCC(NC(=O)C1=COC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL000000005353	0	31	-1.0	-41.53	294.91	-0.59	-42.11
CCCC(NC(=O)C1=COC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL000000005353	1	31	-1.0	-41.52	294.85	-0.60	-42.12
CCCC(NC(=O)C1=COC(C(F)(F)F)=N1)C1=NNN=N1	REAL000000005353	1	32	0.0	-7.30	291.10	-0.91	-8.21
CCCC(NC(=O)C1=NN2C=C(Br)C=NC2=C1)C1=NN=N[N-]1	REAL000000005354	0	34	-1.0	-46.61	321.80	3.02	-43.59
CCCC(NC(=O)C1=NN2C=C(Br)C=NC2=C1)C1=N[N-]N=N1	REAL000000005354	1	34	-1.0	-46.61	321.75	3.02	-43.58
CCCC(NC(=O)C1=NN2C=C(Br)C=NC2=C1)C1=NNN=N1	REAL000000005354	1	35	0.0	-11.51	325.18	3.03	-8.48
CCCC(NC(=O)C1=CC(C=O)=CC=C1OC)C1=NN=N[N-]1	REAL000000005355	0	38	-1.0	-56.66	324.81	3.95	-52.70
CCCC(NC(=O)C1=CC(C=O)=CC=C1OC)C1=N[N-]N=N1	REAL000000005355	1	38	-1.0	-56.66	324.75	3.95	-52.71
CCCC(NC(=O)C1=CC(C=O)=CC=C1OC)C1=NNN=N1	REAL000000005355	1	39	0.0	-17.07	328.19	3.96	-13.11
CCCC(NC(=O)C1CN(S(C)(=O)=O)C1)C1=NN=N[N-]1	REAL000000005356	0	37	-1.0	-47.23	325.23	-1.36	-48.59
CCCC(NC(=O)C1CN(S(C)(=O)=O)C1)C1=N[N-]N=N1	REAL000000005356	1	37	-1.0	-47.22	325.17	-1.37	-48.59
CCCC(NC(=O)C1CN(S(C)(=O)=O)C1)C1=NNN=N1	REAL000000005356	1	38	0.0	-16.80	328.60	-1.35	-18.15
CCCC(NC(=O)C1CC1(C)C1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL000000005357	0	42	-1.0	-45.77	365.94	6.61	-39.16
CCCC(NC(=O)C1CC1(C)C1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL000000005357	1	42	-1.0	-45.77	365.88	6.62	-39.15
CCCC(NC(=O)C1CC1(C)C1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000005357	1	43	0.0	-10.37	363.37	6.71	-3.65
CCCC(NC(=O)C1=CC=C(OCC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL000000005358	0	45	-1.0	-46.85	382.85	5.18	-41.67
CCCC(NC(=O)C1=CC=C(OCC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL000000005358	1	45	-1.0	-46.86	382.79	5.17	-41.69
CCCC(NC(=O)C1=CC=C(OCC2=CC=CC=C2)C=N1)C1=NNN=N1	REAL000000005358	1	46	0.0	-11.02	386.22	5.19	-5.83
CCCC(NC(=O)[C@H]1CC[C@@H](CN2C=NC3=C(N)N=CN=C32)O1)C1=NN=N[N-]1	REAL000000005359	0	49	-1.0	-51.80	409.76	4.99	-46.81
CCCC(NC(=O)[C@H]1CC[C@@H](CN2C=NC3=C(N)N=CN=C32)O1)C1=N[N-]N=N1	REAL000000005359	1	49	-1.0	-51.80	409.70	4.98	-46.82
CCCC(NC(=O)[C@H]1CC[C@@H](CN2C=NC3=C(N)N=CN=C32)O1)C1=NNN=N1	REAL000000005359	1	50	0.0	-17.52	413.12	5.04	-12.48
CCCC(NC(=O)C1=CC=C(OC(C)C(F)(F)F)N=C1C)C1=NN=N[N-]1	REAL000000005360	0	44	-1.0	-43.19	377.74	3.26	-39.93
CCCC(NC(=O)C1=CC=C(OC(C)C(F)(F)F)N=C1C)C1=N[N-]N=N1	REAL000000005360	1	44	-1.0	-43.19	377.68	3.26	-39.93
CCCC(NC(=O)C1=CC=C(OC(C)C(F)(F)F)N=C1C)C1=NNN=N1	REAL000000005360	1	45	0.0	-10.65	381.11	3.27	-7.39
CCCC(NC(=O)C1=CC=C(C2=CSC(C)=N2)S1)C1=NN=N[N-]1	REAL000000005361	0	38	-1.0	-47.04	354.35	4.21	-42.83
CCCC(NC(=O)C1=CC=C(C2=CSC(C)=N2)S1)C1=N[N-]N=N1	REAL000000005361	1	38	-1.0	-47.04	354.29	4.21	-42.83
CCCC(NC(=O)C1=CC=C(C2=CSC(C)=N2)S1)C1=NNN=N1	REAL000000005361	1	39	0.0	-11.91	357.73	4.22	-7.69
CCCC(NC(=O)CC1=CC=CC=C1OCC1=CC=NC=C1)C1=NN=N[N-]1	REAL000000005362	0	48	-1.0	-48.77	403.94	5.89	-42.87
CCCC(NC(=O)CC1=CC=CC=C1OCC1=CC=NC=C1)C1=N[N-]N=N1	REAL000000005362	1	48	-1.0	-48.76	403.88	5.88	-42.88
CCCC(NC(=O)CC1=CC=CC=C1OCC1=CC=NC=C1)C1=NNN=N1	REAL000000005362	1	49	0.0	-13.55	407.32	5.90	-7.65
CCCC(NC(=O)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL000000005363	0	46	-1.0	-52.20	377.04	6.45	-45.75
CCCC(NC(=O)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL000000005363	1	46	-1.0	-52.20	376.98	6.44	-45.77
CCCC(NC(=O)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1)C1=NNN=N1	REAL000000005363	1	47	0.0	-14.97	380.47	6.45	-8.51
CCCC(NC(=O)C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL000000005364	0	44	-1.0	-56.56	365.30	0.26	-56.30
CCCC(NC(=O)C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL000000005364	1	44	-1.0	-56.54	365.24	0.25	-56.29
CCCC(NC(=O)C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)C1=NNN=N1	REAL000000005364	1	45	0.0	-18.95	368.63	0.29	-18.66
CCCC(NC(=O)C1=CC(C(=O)OC)=NN1C)C1=NN=N[N-]1	REAL000000005365	0	38	-1.0	-43.61	331.74	1.93	-41.68
CCCC(NC(=O)C1=CC(C(=O)OC)=NN1C)C1=N[N-]N=N1	REAL000000005365	1	38	-1.0	-43.61	331.68	1.93	-41.68
CCCC(NC(=O)C1=CC(C(=O)OC)=NN1C)C1=NNN=N1	REAL000000005365	1	39	0.0	-11.87	334.91	1.94	-9.93
CCCC(NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1)C1=NN=N[N-]1	REAL000000005366	0	42	-1.0	-50.75	351.45	3.81	-46.94
CCCC(NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1)C1=N[N-]N=N1	REAL000000005366	1	42	-1.0	-50.75	351.40	3.81	-46.94
CCCC(NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1)C1=NNN=N1	REAL000000005366	1	43	0.0	-14.42	347.60	3.39	-11.04
CCCC(NC(=O)C1=CC=C(NC2=CC=CC=C2C(C)C)C=C1)C1=NN=N[N-]1	REAL000000005367	0	53	-1.0	-47.45	424.03	7.93	-39.52
CCCC(NC(=O)C1=CC=C(NC2=CC=CC=C2C(C)C)C=C1)C1=N[N-]N=N1	REAL000000005367	1	53	-1.0	-47.46	423.97	7.92	-39.53
CCCC(NC(=O)C1=CC=C(NC2=CC=CC=C2C(C)C)C=C1)C1=NNN=N1	REAL000000005367	1	54	0.0	-7.78	420.22	7.61	-0.17
CCCC(NC(=O)C1=CC=C(NC2=CC=CC=C2OC)C=C1)C1=NN=N[N-]1	REAL000000005368	0	48	-1.0	-47.81	392.70	5.40	-42.42
CCCC(NC(=O)C1=CC=C(NC2=CC=CC=C2OC)C=C1)C1=N[N-]N=N1	REAL000000005368	1	48	-1.0	-47.81	392.64	5.39	-42.42
CCCC(NC(=O)C1=CC=C(NC2=CC=CC=C2OC)C=C1)C1=NNN=N1	REAL000000005368	1	49	0.0	-9.04	388.90	5.08	-3.96
CCCC(NC(=O)C1=CC=C(NC2=CC=C(OC)C=C2OC)C=C1)C1=NN=N[N-]1	REAL000000005369	0	52	-1.0	-50.49	426.72	4.77	-45.72
CCCC(NC(=O)C1=CC=C(NC2=CC=C(OC)C=C2OC)C=C1)C1=N[N-]N=N1	REAL000000005369	1	52	-1.0	-50.49	426.66	4.76	-45.74
CCCC(NC(=O)C1=CC=C(NC2=CC=C(OC)C=C2OC)C=C1)C1=NNN=N1	REAL000000005369	1	53	0.0	-12.99	425.48	4.70	-8.29
CCCC(NC(=O)C1=CC=C(NC2=CC=CC=C2C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000005370	0	56	-1.0	-45.79	433.43	8.87	-36.92
CCCC(NC(=O)C1=CC=C(NC2=CC=CC=C2C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000005370	1	56	-1.0	-45.78	433.37	8.87	-36.90
CCCC(NC(=O)C1=CC=C(NC2=CC=CC=C2C(C)(C)C)C=C1)C1=NNN=N1	REAL000000005370	1	57	0.0	-7.55	429.63	8.56	1.01
CCCC(NC(=O)C=CC1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL000000005371	0	33	-1.0	-44.12	316.14	4.55	-39.57
CCCC(NC(=O)C=CC1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL000000005371	1	33	-1.0	-44.11	316.08	4.55	-39.57
CCCC(NC(=O)C=CC1=CC=C(Cl)S1)C1=NNN=N1	REAL000000005371	1	34	0.0	-9.40	319.52	4.56	-4.84
CCCC(NC(=O)C=CC1=CC=CC=C1OC(F)(F)F)C1=NN=N[N-]1	REAL000000005372	0	40	-1.0	-49.42	353.75	4.70	-44.72
CCCC(NC(=O)C=CC1=CC=CC=C1OC(F)(F)F)C1=N[N-]N=N1	REAL000000005372	1	40	-1.0	-49.41	353.69	4.70	-44.71
CCCC(NC(=O)C=CC1=CC=CC=C1OC(F)(F)F)C1=NNN=N1	REAL000000005372	1	41	0.0	-10.15	349.92	4.38	-5.76
CCCC(NC(=O)C1=NN(C2CCOCC2)C=C1)C1=NN=N[N-]1	REAL000000005373	0	43	-1.0	-48.57	352.38	2.28	-46.30
CCCC(NC(=O)C1=NN(C2CCOCC2)C=C1)C1=N[N-]N=N1	REAL000000005373	1	43	-1.0	-48.57	352.32	2.27	-46.31
CCCC(NC(=O)C1=NN(C2CCOCC2)C=C1)C1=NNN=N1	REAL000000005373	1	44	0.0	-9.68	348.58	1.95	-7.73
CCCC(NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C1=NN=N[N-]1	REAL000000005374	0	45	-1.0	-42.34	352.29	4.21	-38.13
CCCC(NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C1=N[N-]N=N1	REAL000000005374	1	45	-1.0	-42.34	352.24	4.20	-38.14
CCCC(NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C1=NNN=N1	REAL000000005374	1	46	0.0	-10.34	355.65	4.24	-6.11
CCCC(NC(=O)C1C2CC3=C(Br)C=CC=C3C21)C1=NN=N[N-]1	REAL000000005375	0	40	-1.0	-47.60	346.60	6.68	-40.92
CCCC(NC(=O)C1C2CC3=C(Br)C=CC=C3C21)C1=N[N-]N=N1	REAL000000005375	1	40	-1.0	-47.61	346.54	6.68	-40.93
CCCC(NC(=O)C1C2CC3=C(Br)C=CC=C3C21)C1=NNN=N1	REAL000000005375	1	41	0.0	-9.76	357.37	6.80	-2.96
CCCC(NC(=O)C1=C(C)OC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000005376	0	42	-1.0	-45.93	355.38	6.19	-39.74
CCCC(NC(=O)C1=C(C)OC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000005376	1	42	-1.0	-45.93	355.32	6.18	-39.75
CCCC(NC(=O)C1=C(C)OC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000005376	1	43	0.0	-11.02	358.76	6.20	-4.82
CCCC(NC(=O)C1CNC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000005377	0	40	-1.0	-51.83	334.55	2.01	-49.82
CCCC(NC(=O)C1CNC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000005377	1	40	-1.0	-51.82	334.49	2.00	-49.82
CCCC(NC(=O)C1CNC(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000005377	1	41	0.0	-21.08	337.92	2.02	-19.07
CCCC(NC(=O)CC1CCC(F)(F)CC1)C1=NN=N[N-]1	REAL000000005378	0	41	-1.0	-43.92	329.94	4.73	-39.19
CCCC(NC(=O)CC1CCC(F)(F)CC1)C1=N[N-]N=N1	REAL000000005378	1	41	-1.0	-43.91	329.88	4.73	-39.18
CCCC(NC(=O)CC1CCC(F)(F)CC1)C1=NNN=N1	REAL000000005378	1	42	0.0	-10.94	333.32	4.74	-6.21
CCCC(NC(=O)CN1C=C(C)C(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL000000005379	0	38	-1.0	-57.58	340.80	3.36	-54.22
CCCC(NC(=O)CN1C=C(C)C(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL000000005379	1	38	-1.0	-57.59	340.75	3.36	-54.23
CCCC(NC(=O)CN1C=C(C)C(C(F)(F)F)=N1)C1=NNN=N1	REAL000000005379	1	39	0.0	-18.93	344.18	3.37	-15.56
CCCC(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000005380	0	46	-1.0	-46.30	373.82	-1.92	-48.23
CCCC(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000005380	1	46	-1.0	-46.30	373.76	-1.93	-48.23
CCCC(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005380	1	47	0.0	-10.10	369.84	-2.24	-12.33
CCCC(NC(=O)C1=CC=C(CO)C=C1OC)C1=NN=N[N-]1	REAL000000005381	0	40	-1.0	-52.88	334.48	1.53	-51.35
CCCC(NC(=O)C1=CC=C(CO)C=C1OC)C1=N[N-]N=N1	REAL000000005381	1	40	-1.0	-52.87	334.42	1.53	-51.34
CCCC(NC(=O)C1=CC=C(CO)C=C1OC)C1=NNN=N1	REAL000000005381	1	41	0.0	-15.83	337.86	1.54	-14.29
CCCC(NC(=O)CC1CCN(CC(F)F)CC1)C1=NN=N[N-]1	REAL000000005382	0	46	-1.0	-50.16	356.66	2.66	-47.50
CCCC(NC(=O)CC1CCN(CC(F)F)CC1)C1=N[N-]N=N1	REAL000000005382	1	46	-1.0	-50.16	356.60	2.67	-47.49
CCCC(NC(=O)CC1CCN(CC(F)F)CC1)C1=NNN=N1	REAL000000005382	1	47	0.0	-13.01	360.03	2.67	-10.34
CCCC(NC(=O)C1=CC(C=O)=C(OC)C=C1OC)C1=NN=N[N-]1	REAL000000005383	0	42	-1.0	-53.03	351.96	4.58	-48.45
CCCC(NC(=O)C1=CC(C=O)=C(OC)C=C1OC)C1=N[N-]N=N1	REAL000000005383	1	42	-1.0	-53.03	351.91	4.58	-48.45
CCCC(NC(=O)C1=CC(C=O)=C(OC)C=C1OC)C1=NNN=N1	REAL000000005383	1	43	0.0	-18.80	355.34	4.59	-14.21
CCCC(NC(=O)CCCN1C=NC2=C(N)N=CN=C21)C1=NN=N[N-]1	REAL000000005384	0	44	-1.0	-57.65	373.97	4.49	-53.16
CCCC(NC(=O)CCCN1C=NC2=C(N)N=CN=C21)C1=N[N-]N=N1	REAL000000005384	1	44	-1.0	-57.66	373.91	4.48	-53.17
CCCC(NC(=O)CCCN1C=NC2=C(N)N=CN=C21)C1=NNN=N1	REAL000000005384	1	45	0.0	-20.55	377.35	4.50	-16.05
CCCC(NC(=O)CCCCN1C=NC2=C(N)N=CN=C21)C1=NN=N[N-]1	REAL000000005385	0	47	-1.0	-50.28	395.47	5.28	-45.00
CCCC(NC(=O)CCCCN1C=NC2=C(N)N=CN=C21)C1=N[N-]N=N1	REAL000000005385	1	47	-1.0	-50.28	395.41	5.27	-45.01
CCCC(NC(=O)CCCCN1C=NC2=C(N)N=CN=C21)C1=NNN=N1	REAL000000005385	1	48	0.0	-18.10	398.85	5.29	-12.81
CCCC(NC(=O)CC(O)COCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000005386	0	46	-1.0	-53.17	385.75	3.01	-50.16
CCCC(NC(=O)CC(O)COCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000005386	1	46	-1.0	-53.17	385.70	3.02	-50.15
CCCC(NC(=O)CC(O)COCC1=CC=CC=C1)C1=NNN=N1	REAL000000005386	1	47	0.0	-17.67	389.14	3.02	-14.65
CCCC(NC(=O)C1CC(O)(C2=CC=CC(Cl)=C2)C1)C1=NN=N[N-]1	REAL000000005387	0	43	-1.0	-52.56	363.22	4.63	-47.93
CCCC(NC(=O)C1CC(O)(C2=CC=CC(Cl)=C2)C1)C1=N[N-]N=N1	REAL000000005387	1	43	-1.0	-52.55	363.16	4.62	-47.93
CCCC(NC(=O)C1CC(O)(C2=CC=CC(Cl)=C2)C1)C1=NNN=N1	REAL000000005387	1	44	0.0	-14.21	366.59	4.64	-9.57
CCCC(NC(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000005388	0	52	-1.0	-53.52	405.89	4.46	-49.07
CCCC(NC(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000005388	1	52	-1.0	-53.52	405.83	4.46	-49.07
CCCC(NC(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000005388	1	53	0.0	-10.30	402.61	4.18	-6.12
CCCC(NC(=O)C1=C2C=CC=CN2C(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL000000005389	0	38	-1.0	-50.84	342.13	5.00	-45.84
CCCC(NC(=O)C1=C2C=CC=CN2C(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL000000005389	1	38	-1.0	-50.85	342.07	5.00	-45.85
CCCC(NC(=O)C1=C2C=CC=CN2C(C(F)(F)F)=N1)C1=NNN=N1	REAL000000005389	1	39	0.0	-11.54	338.31	4.68	-6.86
CCCC(NC(=O)C1=CC=CC(N=S(C)(C)=O)=C1)C1=NN=N[N-]1	REAL000000005390	0	42	-1.0	-63.86	354.87	1.96	-61.89
CCCC(NC(=O)C1=CC=CC(N=S(C)(C)=O)=C1)C1=N[N-]N=N1	REAL000000005390	1	42	-1.0	-63.86	354.81	1.97	-61.90
CCCC(NC(=O)C1=CC=CC(N=S(C)(C)=O)=C1)C1=NNN=N1	REAL000000005390	1	43	0.0	-22.49	351.05	1.66	-20.84
CCCC(NC(=O)C1=CN2CC(C)CCC2=N1)C1=NN=N[N-]1	REAL000000005391	0	42	-1.0	-50.00	342.48	4.41	-45.59
CCCC(NC(=O)C1=CN2CC(C)CCC2=N1)C1=N[N-]N=N1	REAL000000005391	1	42	-1.0	-50.01	342.42	4.40	-45.60
CCCC(NC(=O)C1=CN2CC(C)CCC2=N1)C1=NNN=N1	REAL000000005391	1	43	0.0	-10.11	338.67	4.09	-6.02
CCCC(NC(=O)C=CC1=CC=CC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000005392	0	46	-1.0	-48.33	383.06	8.27	-40.06
CCCC(NC(=O)C=CC1=CC=CC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000005392	1	46	-1.0	-48.33	383.01	8.26	-40.06
CCCC(NC(=O)C=CC1=CC=CC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000005392	1	47	0.0	-12.60	386.44	8.28	-4.32
CCCC(NC(=O)C1=CN=CC(N2CCCC2=O)=C1)C1=NN=N[N-]1	REAL000000005393	0	42	-1.0	-58.75	346.99	2.98	-55.77
CCCC(NC(=O)C1=CN=CC(N2CCCC2=O)=C1)C1=N[N-]N=N1	REAL000000005393	1	42	-1.0	-58.75	346.93	2.98	-55.77
CCCC(NC(=O)C1=CN=CC(N2CCCC2=O)=C1)C1=NNN=N1	REAL000000005393	1	43	0.0	-20.46	350.36	2.98	-17.47
CCCC(NC(=O)CC1=CC=C(C(N)=O)N=C1)C1=NN=N[N-]1	REAL000000005394	0	38	-1.0	-49.38	330.78	-0.62	-50.00
CCCC(NC(=O)CC1=CC=C(C(N)=O)N=C1)C1=N[N-]N=N1	REAL000000005394	1	38	-1.0	-49.37	330.72	-0.63	-50.01
CCCC(NC(=O)CC1=CC=C(C(N)=O)N=C1)C1=NNN=N1	REAL000000005394	1	39	0.0	-17.25	334.16	-0.62	-17.88
CCCC(NC(=O)CCN1C(=O)C(C)=C(C)C1=O)C1=NN=N[N-]1	REAL000000005395	0	42	-1.0	-50.34	361.88	2.97	-47.36
CCCC(NC(=O)CCN1C(=O)C(C)=C(C)C1=O)C1=N[N-]N=N1	REAL000000005395	1	42	-1.0	-50.34	361.82	2.97	-47.37
CCCC(NC(=O)CCN1C(=O)C(C)=C(C)C1=O)C1=NNN=N1	REAL000000005395	1	43	0.0	-14.24	365.26	2.98	-11.26
CCCC(NC(=O)C1CC2CSCC(C1)C2=O)C1=NN=N[N-]1	REAL000000005396	0	42	-1.0	-48.95	334.90	3.89	-45.06
CCCC(NC(=O)C1CC2CSCC(C1)C2=O)C1=N[N-]N=N1	REAL000000005396	1	42	-1.0	-48.94	334.84	3.88	-45.06
CCCC(NC(=O)C1CC2CSCC(C1)C2=O)C1=NNN=N1	REAL000000005396	1	43	0.0	-11.44	337.13	4.24	-7.20
CCCC(NC(=O)CN1CCCC(C(=O)OCC)C1)C1=NN=N[N-]1	REAL000000005397	0	49	-1.0	-55.00	391.40	3.30	-51.70
CCCC(NC(=O)CN1CCCC(C(=O)OCC)C1)C1=N[N-]N=N1	REAL000000005397	1	49	-1.0	-54.99	391.34	3.29	-51.70
CCCC(NC(=O)C(C(C)CC)N1C=CC=C1C=O)C1=NN=N[N-]1	REAL000000005398	0	47	-1.0	-46.64	370.11	5.40	-41.24
CCCC(NC(=O)C(C(C)CC)N1C=CC=C1C=O)C1=N[N-]N=N1	REAL000000005398	1	47	-1.0	-46.64	370.05	5.40	-41.24
CCCC(NC(=O)C(C(C)CC)N1C=CC=C1C=O)C1=NNN=N1	REAL000000005398	1	48	0.0	-11.95	368.98	5.68	-6.27
CCCC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=NN=N[N-]1	REAL000000005399	0	52	0.0	-69.44	386.27	4.34	-65.10
CCCC(NC(=O)C1=CC(F)=C(C=O)C=C1F)C1=NN=N[N-]1	REAL000000005400	0	34	-1.0	-47.78	307.58	3.50	-44.28
CCCC(NC(=O)C1=CC(F)=C(C=O)C=C1F)C1=N[N-]N=N1	REAL000000005400	1	34	-1.0	-47.78	307.52	3.49	-44.29
CCCC(NC(=O)C1=CC(F)=C(C=O)C=C1F)C1=NNN=N1	REAL000000005400	1	35	0.0	-10.76	303.78	3.18	-7.59
CCCC(NC(=O)C1N(C(=O)OCC2=CC=CC=C2)CC1(C)C)C1=NN=N[N-]1	REAL000000005401	0	53	-1.0	-62.02	435.59	6.86	-55.16
CCCC(NC(=O)C1N(C(=O)OCC2=CC=CC=C2)CC1(C)C)C1=N[N-]N=N1	REAL000000005401	1	53	-1.0	-62.02	435.54	6.85	-55.17
CCCC(NC(=O)C1N(C(=O)OCC2=CC=CC=C2)CC1(C)C)C1=NNN=N1	REAL000000005401	1	54	0.0	-20.00	438.96	6.87	-13.13
CCCC(NC(=O)C1=CC=C2OCCN(C)C2=C1)C1=NN=N[N-]1	REAL000000005402	0	42	-1.0	-48.26	340.22	2.27	-45.99
CCCC(NC(=O)C1=CC=C2OCCN(C)C2=C1)C1=N[N-]N=N1	REAL000000005402	1	42	-1.0	-48.26	340.16	2.27	-45.99
CCCC(NC(=O)C1=CC=C2OCCN(C)C2=C1)C1=NNN=N1	REAL000000005402	1	43	0.0	-12.57	342.81	2.26	-10.31
CCCC(NC(=O)C1=CN2CCC(C)CC2=N1)C1=NN=N[N-]1	REAL000000005403	0	42	-1.0	-50.24	342.48	4.43	-45.81
CCCC(NC(=O)C1=CN2CCC(C)CC2=N1)C1=N[N-]N=N1	REAL000000005403	1	42	-1.0	-50.24	342.42	4.43	-45.81
CCCC(NC(=O)C1=CN2CCC(C)CC2=N1)C1=NNN=N1	REAL000000005403	1	43	0.0	-12.10	345.86	4.44	-7.66
CCCC(NC(=O)C=CC1=CC(C(F)(F)F)=CC=C1Cl)C1=NN=N[N-]1	REAL000000005413	0	39	-1.0	-46.13	362.17	6.28	-39.85
CCCC(NC(=O)C=CC1=CC(C(F)(F)F)=CC=C1Cl)C1=N[N-]N=N1	REAL000000005413	1	39	-1.0	-46.13	362.11	6.27	-39.86
CCCC(NC(=O)C=CC1=CC(C(F)(F)F)=CC=C1Cl)C1=NNN=N1	REAL000000005413	1	40	0.0	-11.15	365.54	6.29	-4.86
CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)C1=NN=N[N-]1	REAL000000005414	0	55	0.0	-63.99	423.23	8.20	-55.80
CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)C1=NN=N[N-]1	REAL000000005414	1	55	0.0	-64.06	423.41	8.19	-55.87
CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)C1=N[N-]N=N1	REAL000000005414	1	55	0.0	-63.98	423.17	8.20	-55.79
CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)C1=N[N-]N=N1	REAL000000005414	1	55	0.0	-64.06	423.35	8.19	-55.87
CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)C1=NNN=N1	REAL000000005414	1	56	1.0	-42.76	426.84	8.24	-34.52
CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)C1=NNN=N1	REAL000000005414	1	56	1.0	-40.71	413.86	8.03	-32.69
CCCC(NC(=O)C1=CC=CC(OC(C)(C)C)=N1)C1=NN=N[N-]1	REAL000000005415	0	44	-1.0	-45.18	357.77	4.01	-41.17
CCCC(NC(=O)C1=CC=CC(OC(C)(C)C)=N1)C1=N[N-]N=N1	REAL000000005415	1	44	-1.0	-45.18	357.72	4.00	-41.18
CCCC(NC(=O)C1=CC=CC(OC(C)(C)C)=N1)C1=NNN=N1	REAL000000005415	1	45	0.0	-9.35	361.15	4.02	-5.32
CCCC(NC(=O)C1=CC(C2=CC=CC(OC)=C2)=NO1)C1=NN=N[N-]1	REAL000000005416	0	42	-1.0	-44.68	362.56	3.94	-40.74
CCCC(NC(=O)C1=CC(C2=CC=CC(OC)=C2)=NO1)C1=N[N-]N=N1	REAL000000005416	1	42	-1.0	-44.68	362.50	3.94	-40.74
CCCC(NC(=O)C1=CC(C2=CC=CC(OC)=C2)=NO1)C1=NNN=N1	REAL000000005416	1	43	0.0	-12.16	365.94	3.95	-8.20
CCCC(NC(=O)CC1=CC=C2C=NC=CC2=C1)C1=NN=N[N-]1	REAL000000005417	0	40	-1.0	-48.02	339.98	4.79	-43.23
CCCC(NC(=O)CC1=CC=C2C=NC=CC2=C1)C1=N[N-]N=N1	REAL000000005417	1	40	-1.0	-48.01	339.93	4.79	-43.22
CCCC(NC(=O)CC1=CC=C2C=NC=CC2=C1)C1=NNN=N1	REAL000000005417	1	41	0.0	-14.93	343.36	4.80	-10.14
CCCC(NC(=O)C1(C2=CC=C(C#N)C=C2)CCCC1)C1=NN=N[N-]1	REAL000000005418	0	46	-1.0	-50.16	373.32	7.35	-42.81
CCCC(NC(=O)C1(C2=CC=C(C#N)C=C2)CCCC1)C1=N[N-]N=N1	REAL000000005418	1	46	-1.0	-50.15	373.26	7.34	-42.81
CCCC(NC(=O)C1(C2=CC=C(C#N)C=C2)CCCC1)C1=NNN=N1	REAL000000005418	1	47	0.0	-9.63	367.25	6.96	-2.67
CCCC(NC(=O)COCC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL000000005419	0	40	-1.0	-50.92	354.32	5.08	-45.84
CCCC(NC(=O)COCC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL000000005419	1	40	-1.0	-50.92	354.26	5.09	-45.83
CCCC(NC(=O)COCC1=CC=C(C#N)C=C1)C1=NNN=N1	REAL000000005419	1	41	0.0	-14.02	350.51	4.67	-9.35
CCCC(NC(=O)COCC1=CC=NC(OC)=C1)C1=NN=N[N-]1	REAL000000005420	0	42	-1.0	-51.60	360.55	1.41	-50.19
CCCC(NC(=O)COCC1=CC=NC(OC)=C1)C1=N[N-]N=N1	REAL000000005420	1	42	-1.0	-51.60	360.49	1.40	-50.19
CCCC(NC(=O)COCC1=CC=NC(OC)=C1)C1=NNN=N1	REAL000000005420	1	43	0.0	-17.79	363.92	1.42	-16.36
CCCC(NC(=O)COCC1=CC=C(OC)N=C1)C1=NN=N[N-]1	REAL000000005421	0	42	-1.0	-51.58	360.50	1.39	-50.18
CCCC(NC(=O)COCC1=CC=C(OC)N=C1)C1=N[N-]N=N1	REAL000000005421	1	42	-1.0	-51.58	360.45	1.40	-50.19
CCCC(NC(=O)COCC1=CC=C(OC)N=C1)C1=NNN=N1	REAL000000005421	1	43	0.0	-17.41	363.88	1.40	-16.00
CCCC(NC(=O)COCC1=CC(=O)NC=C1)C1=NN=N[N-]1	REAL000000005422	0	39	-1.0	-67.23	336.01	1.72	-65.51
CCCC(NC(=O)COCC1=CC(=O)NC=C1)C1=N[N-]N=N1	REAL000000005422	1	39	-1.0	-67.22	335.96	1.72	-65.50
CCCC(NC(=O)COCC1=CC(=O)NC=C1)C1=NNN=N1	REAL000000005422	1	40	0.0	-28.85	339.39	1.73	-27.12
CCCC(NC(=O)C1=CC=C2C=NC=C(Br)C2=N1)C1=NN=N[N-]1	REAL000000005423	0	36	-1.0	-47.69	333.32	3.00	-44.69
CCCC(NC(=O)C1=CC=C2C=NC=C(Br)C2=N1)C1=N[N-]N=N1	REAL000000005423	1	36	-1.0	-47.70	333.26	2.99	-44.70
CCCC(NC(=O)C1=CC=C2C=NC=C(Br)C2=N1)C1=NNN=N1	REAL000000005423	1	37	0.0	-11.98	336.70	3.01	-8.97
CCCC(NC(=O)CC1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000005424	0	35	-1.0	-44.82	332.44	5.34	-39.48
CCCC(NC(=O)CC1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000005424	1	35	-1.0	-44.82	332.39	5.34	-39.48
CCCC(NC(=O)CC1=CC(Cl)=CC(Cl)=C1)C1=NNN=N1	REAL000000005424	1	36	0.0	-11.51	335.82	5.35	-6.16
CCCC(NC(=O)C1=NN(C2=CC=C([N+](=O)[O-])C=C2F)C=C1)C1=NN=N[N-]1	REAL000000005425	0	41	-1.0	-46.02	367.28	5.46	-40.56
CCCC(NC(=O)C1=NN(C2=CC=C([N+](=O)[O-])C=C2F)C=C1)C1=N[N-]N=N1	REAL000000005425	1	41	-1.0	-46.02	367.22	5.45	-40.57
CCCC(NC(=O)C1=NN(C2=CC=C([N+](=O)[O-])C=C2F)C=C1)C1=NNN=N1	REAL000000005425	1	42	0.0	-9.76	363.48	5.14	-4.62
CCCC(NC(=O)C=CC1=CC=C(SC)S1)C1=NN=N[N-]1	REAL000000005426	0	37	-1.0	-45.78	341.70	5.11	-40.67
CCCC(NC(=O)C=CC1=CC=C(SC)S1)C1=N[N-]N=N1	REAL000000005426	1	37	-1.0	-45.78	341.65	5.11	-40.68
CCCC(NC(=O)C=CC1=CC=C(SC)S1)C1=NNN=N1	REAL000000005426	1	38	0.0	-7.57	337.83	4.79	-2.78
CCCC(NC(=O)C1=CC=C(NCCN2CCOCC2)C(F)=C1)C1=NN=N[N-]1	REAL000000005427	0	53	-1.0	-46.50	424.44	1.86	-44.64
CCCC(NC(=O)C1=CC=C(NCCN2CCOCC2)C(F)=C1)C1=N[N-]N=N1	REAL000000005427	1	53	-1.0	-46.49	424.38	1.86	-44.63
CCCC(NC(=O)C1=CC=C(NCCN2CCOCC2)C(F)=C1)C1=NNN=N1	REAL000000005427	1	54	0.0	-11.36	427.82	1.87	-9.50
CCCC(NC(=O)C1=CC=C2NC(=O)CC(C)NC2=C1)C1=NN=N[N-]1	REAL000000005428	0	45	-1.0	-47.85	367.62	1.71	-46.14
CCCC(NC(=O)C1=CC=C2NC(=O)CC(C)NC2=C1)C1=N[N-]N=N1	REAL000000005428	1	45	-1.0	-47.84	367.56	1.71	-46.13
CCCC(NC(=O)C1=CC=C2NC(=O)CC(C)NC2=C1)C1=NNN=N1	REAL000000005428	1	46	0.0	-14.22	370.99	1.72	-12.50
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)N=C1)C1=NN=N[N-]1	REAL000000005429	0	48	-1.0	-49.63	392.48	3.59	-46.04
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)N=C1)C1=N[N-]N=N1	REAL000000005429	1	48	-1.0	-49.62	392.43	3.59	-46.03
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)N=C1)C1=NNN=N1	REAL000000005429	1	49	0.0	-14.68	395.86	3.60	-11.08
CCCC(NC(=O)C1=NOC(C2=CC=C(Cl)C=C2Cl)=C1)C1=NN=N[N-]1	REAL000000005430	0	38	-1.0	-43.53	364.90	5.63	-37.91
CCCC(NC(=O)C1=NOC(C2=CC=C(Cl)C=C2Cl)=C1)C1=N[N-]N=N1	REAL000000005430	1	38	-1.0	-43.53	364.84	5.62	-37.91
CCCC(NC(=O)C1=NOC(C2=CC=C(Cl)C=C2Cl)=C1)C1=NNN=N1	REAL000000005430	1	39	0.0	-9.44	368.28	5.64	-3.80
CCCC(NC(=O)C1=C(Br)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL000000005431	0	35	-1.0	-45.66	324.08	4.67	-40.99
CCCC(NC(=O)C1=C(Br)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL000000005431	1	35	-1.0	-45.66	324.03	4.66	-41.00
CCCC(NC(=O)C1=C(Br)C2=CC=CC=C2O1)C1=NNN=N1	REAL000000005431	1	36	0.0	-10.52	327.46	4.68	-5.84
CCCC(NC(=O)C1=CN=CC(N2CCCC2)=N1)C1=NN=N[N-]1	REAL000000005432	0	42	-1.0	-44.62	345.95	1.64	-42.97
CCCC(NC(=O)C1=CN=CC(N2CCCC2)=N1)C1=N[N-]N=N1	REAL000000005432	1	42	-1.0	-44.61	345.89	1.64	-42.97
CCCC(NC(=O)C1=CN=CC(N2CCCC2)=N1)C1=NNN=N1	REAL000000005432	1	43	0.0	-9.22	349.33	1.65	-7.57
CCCC(NC(=O)C1=NN(C)C=C1I)C1=NN=N[N-]1	REAL000000005433	0	32	-1.0	-48.63	305.10	2.54	-46.09
CCCC(NC(=O)C1=NN(C)C=C1I)C1=N[N-]N=N1	REAL000000005433	1	32	-1.0	-48.62	305.05	2.53	-46.09
CCCC(NC(=O)C1=NN(C)C=C1I)C1=NNN=N1	REAL000000005433	1	33	0.0	-12.16	308.48	2.55	-9.61
CCCC(NC(=O)C1=NN2C(=C1)N=C(C)C=C2C(F)(F)F)C1=NN=N[N-]1	REAL000000005434	0	40	-1.0	-50.98	361.43	3.95	-47.03
CCCC(NC(=O)C1=NN2C(=C1)N=C(C)C=C2C(F)(F)F)C1=N[N-]N=N1	REAL000000005434	1	40	-1.0	-50.98	361.38	3.94	-47.04
CCCC(NC(=O)C1=NN2C(=C1)N=C(C)C=C2C(F)(F)F)C1=NNN=N1	REAL000000005434	1	41	0.0	-12.37	357.63	3.62	-8.75
CCCC(NC(=O)COC1=CC=C(Br)C=N1)C1=NN=N[N-]1	REAL000000005435	0	35	-1.0	-46.14	326.72	2.23	-43.90
CCCC(NC(=O)COC1=CC=C(Br)C=N1)C1=N[N-]N=N1	REAL000000005435	1	35	-1.0	-46.14	326.66	2.23	-43.90
CCCC(NC(=O)COC1=CC=C(Br)C=N1)C1=NNN=N1	REAL000000005435	1	36	0.0	-11.70	330.10	2.24	-9.46
CCCC(NC(=O)C1=CC2=NC=CC=C2S1)C1=NN=N[N-]1	REAL000000005436	0	34	-1.0	-49.24	308.35	3.16	-46.08
CCCC(NC(=O)C1=CC2=NC=CC=C2S1)C1=N[N-]N=N1	REAL000000005436	1	34	-1.0	-49.24	308.29	3.16	-46.08
CCCC(NC(=O)C1=CC2=NC=CC=C2S1)C1=NNN=N1	REAL000000005436	1	35	0.0	-13.46	311.73	3.17	-10.29
CCCC(NC(=O)C1CCCN2C=C(C(F)(F)F)N=C12)C1=NN=N[N-]1	REAL000000005437	0	42	-1.0	-48.41	358.52	5.01	-43.40
CCCC(NC(=O)C1CCCN2C=C(C(F)(F)F)N=C12)C1=N[N-]N=N1	REAL000000005437	1	42	-1.0	-48.41	358.46	5.00	-43.41
CCCC(NC(=O)C1CCCN2C=C(C(F)(F)F)N=C12)C1=NNN=N1	REAL000000005437	1	43	0.0	-12.27	362.27	5.05	-7.23
CCCC(NC(=O)CC1=C2C=CC=CC2=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000005438	0	41	-1.0	-48.19	358.33	6.94	-41.25
CCCC(NC(=O)CC1=C2C=CC=CC2=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000005438	1	41	-1.0	-48.19	358.28	6.94	-41.25
CCCC(NC(=O)CC1=C2C=CC=CC2=CC(Cl)=C1)C1=NNN=N1	REAL000000005438	1	42	0.0	-12.49	361.72	6.95	-5.55
CCCC(NC(=O)CC1=C(C2=CC=C(OC)C=C2)N=C(C)S1)C1=NN=N[N-]1	REAL000000005439	0	48	-1.0	-48.36	406.34	4.75	-43.60
CCCC(NC(=O)CC1=C(C2=CC=C(OC)C=C2)N=C(C)S1)C1=N[N-]N=N1	REAL000000005439	1	48	-1.0	-48.36	406.28	4.75	-43.61
CCCC(NC(=O)CC1=C(C2=CC=C(OC)C=C2)N=C(C)S1)C1=NNN=N1	REAL000000005439	1	49	0.0	-14.91	409.71	4.76	-10.15
CCCC(NC(=O)C1=CC=C(C)C(N2CCOCC2)=C1)C1=NN=N[N-]1	REAL000000005440	0	48	-1.0	-49.88	382.05	3.89	-45.99
CCCC(NC(=O)C1=CC=C(C)C(N2CCOCC2)=C1)C1=N[N-]N=N1	REAL000000005440	1	48	-1.0	-49.88	382.00	3.88	-46.00
CCCC(NC(=O)C1=CC=C(C)C(N2CCOCC2)=C1)C1=NNN=N1	REAL000000005440	1	49	0.0	-13.09	385.43	3.90	-9.19
CCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1F)C1=NN=N[N-]1	REAL000000005441	0	32	-1.0	-45.50	311.81	4.75	-40.75
CCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1F)C1=N[N-]N=N1	REAL000000005441	1	32	-1.0	-45.49	311.75	4.74	-40.75
CCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1F)C1=NNN=N1	REAL000000005441	1	33	0.0	-11.47	315.18	4.75	-6.72
CCCC(NC(=O)C1=CC=NN1CC1CCC1)C1=NN=N[N-]1	REAL000000005442	0	42	-1.0	-45.03	341.53	4.42	-40.61
CCCC(NC(=O)C1=CC=NN1CC1CCC1)C1=N[N-]N=N1	REAL000000005442	1	42	-1.0	-45.03	341.47	4.42	-40.60
CCCC(NC(=O)C1=CC=NN1CC1CCC1)C1=NNN=N1	REAL000000005442	1	43	0.0	-9.90	342.94	4.29	-5.61
CCCC(NC(=O)C1=CC2=CC=C(OC)C=C2S1)C1=NN=N[N-]1	REAL000000005443	0	39	-1.0	-46.76	342.90	4.36	-42.40
CCCC(NC(=O)C1=CC2=CC=C(OC)C=C2S1)C1=N[N-]N=N1	REAL000000005443	1	39	-1.0	-46.77	342.84	4.36	-42.41
CCCC(NC(=O)C1=CC2=CC=C(OC)C=C2S1)C1=NNN=N1	REAL000000005443	1	40	0.0	-10.97	346.27	4.37	-6.60
CCCC(NC(=O)CC1=COC2=C(C)C(OC)=CC=C12)C1=NN=N[N-]1	REAL000000005444	0	45	-1.0	-50.13	376.28	4.74	-45.39
CCCC(NC(=O)CC1=COC2=C(C)C(OC)=CC=C12)C1=N[N-]N=N1	REAL000000005444	1	45	-1.0	-50.12	376.23	4.74	-45.38
CCCC(NC(=O)CC1=COC2=C(C)C(OC)=CC=C12)C1=NNN=N1	REAL000000005444	1	46	0.0	-16.25	379.66	4.75	-11.49
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1C)C1=NN=N[N-]1	REAL000000005445	0	46	-1.0	-45.13	379.55	7.21	-37.92
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1C)C1=N[N-]N=N1	REAL000000005445	1	46	-1.0	-45.12	379.49	7.20	-37.92
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1C)C1=NNN=N1	REAL000000005445	1	47	0.0	-10.58	384.07	7.27	-3.31
CCCC(NC(=O)CC1=CSC(COC2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL000000005446	0	45	-1.0	-57.99	394.29	4.80	-53.19
CCCC(NC(=O)CC1=CSC(COC2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL000000005446	1	45	-1.0	-57.98	394.23	4.80	-53.17
CCCC(NC(=O)CC1=CSC(COC2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000005446	1	46	0.0	-18.50	397.66	4.81	-13.68
CCCC(NC(=O)C1=CN=C2C(Cl)=CC=CC2=C1C)C1=NN=N[N-]1	REAL000000005447	0	40	-1.0	-46.24	344.16	5.18	-41.06
CCCC(NC(=O)C1=CN=C2C(Cl)=CC=CC2=C1C)C1=N[N-]N=N1	REAL000000005447	1	40	-1.0	-46.24	344.10	5.18	-41.05
CCCC(NC(=O)C1=CN=C2C(Cl)=CC=CC2=C1C)C1=NNN=N1	REAL000000005447	1	41	0.0	-12.06	347.58	5.20	-6.86
CCCC(NC(=O)C1=CC=C(C)C(C2=CN(C)N=C2)=C1)C1=NN=N[N-]1	REAL000000005448	0	45	-1.0	-50.46	374.90	5.53	-44.93
CCCC(NC(=O)C1=CC=C(C)C(C2=CN(C)N=C2)=C1)C1=N[N-]N=N1	REAL000000005448	1	45	-1.0	-50.46	374.84	5.53	-44.93
CCCC(NC(=O)C1=CC=C(C)C(C2=CN(C)N=C2)=C1)C1=NNN=N1	REAL000000005448	1	46	0.0	-11.27	369.47	5.14	-6.13
CCCC(NC(=O)C1=CC(Cl)=NC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000005449	0	43	-1.0	-42.01	365.67	4.93	-37.09
CCCC(NC(=O)C1=CC(Cl)=NC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000005449	1	43	-1.0	-42.01	365.61	4.92	-37.09
CCCC(NC(=O)C1=CC(Cl)=NC(C(C)(C)C)=C1)C1=NNN=N1	REAL000000005449	1	44	0.0	-9.51	369.05	4.94	-4.57
CCCC(NC(=O)C=CC1=C2C=CC=CC2=C(F)C=C1)C1=NN=N[N-]1	REAL000000005450	0	42	-1.0	-46.96	357.69	7.01	-39.94
CCCC(NC(=O)C=CC1=C2C=CC=CC2=C(F)C=C1)C1=N[N-]N=N1	REAL000000005450	1	42	-1.0	-46.95	357.64	7.02	-39.93
CCCC(NC(=O)C=CC1=C2C=CC=CC2=C(F)C=C1)C1=NNN=N1	REAL000000005450	1	43	0.0	-9.67	353.83	6.70	-2.97
CCCC(NC(=O)C1=CC(Br)=CN=C1F)C1=NN=N[N-]1	REAL000000005451	0	31	-1.0	-46.17	295.24	2.45	-43.72
CCCC(NC(=O)C1=CC(Br)=CN=C1F)C1=N[N-]N=N1	REAL000000005451	1	31	-1.0	-46.16	295.18	2.44	-43.72
CCCC(NC(=O)C1=CC(Br)=CN=C1F)C1=NNN=N1	REAL000000005451	1	32	0.0	-12.59	298.61	2.46	-10.13
CCCC(NC(=O)C(F)C1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000005452	0	52	-1.0	-47.14	411.78	4.44	-42.69
CCCC(NC(=O)C(F)C1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000005452	1	52	-1.0	-47.13	411.72	4.44	-42.69
CCCC(NC(=O)C(F)C1CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000005452	1	53	0.0	-17.93	415.05	4.41	-13.52
CCCC(NC(=O)C1=CC=C(N2CC(C)OC(C)C2)C=C1)C1=NN=N[N-]1	REAL000000005453	0	51	-1.0	-47.09	400.52	3.99	-43.10
CCCC(NC(=O)C1=CC=C(N2CC(C)OC(C)C2)C=C1)C1=N[N-]N=N1	REAL000000005453	1	51	-1.0	-47.09	400.46	3.99	-43.10
CCCC(NC(=O)C1=CC=C(N2CC(C)OC(C)C2)C=C1)C1=NNN=N1	REAL000000005453	1	52	0.0	-11.76	403.90	4.00	-7.76
CCCC(NC(=O)C(=O)C1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000005454	0	34	-1.0	-38.22	328.35	4.50	-33.72
CCCC(NC(=O)C(=O)C1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000005454	1	34	-1.0	-38.22	328.29	4.49	-33.73
CCCC(NC(=O)C(=O)C1=CC(Cl)=CC(Cl)=C1)C1=NNN=N1	REAL000000005454	1	35	0.0	-6.56	331.72	4.51	-2.05
CCCC(NC(=O)C1=CC(C2=CN=C3NC=CC3=C2)=CC=N1)C1=NN=N[N-]1	REAL000000005455	0	44	-1.0	-54.29	372.59	4.65	-49.65
CCCC(NC(=O)C1=CC(C2=CN=C3NC=CC3=C2)=CC=N1)C1=N[N-]N=N1	REAL000000005455	1	44	-1.0	-54.29	372.53	4.64	-49.65
CCCC(NC(=O)C1=CC(C2=CN=C3NC=CC3=C2)=CC=N1)C1=NNN=N1	REAL000000005455	1	45	0.0	-16.23	375.96	4.66	-11.57
CCCC(NC(=O)C1=C(C)N=C2C(Cl)=CC=CC2=C1)C1=NN=N[N-]1	REAL000000005456	0	40	-1.0	-48.57	347.96	5.28	-43.29
CCCC(NC(=O)C1=C(C)N=C2C(Cl)=CC=CC2=C1)C1=N[N-]N=N1	REAL000000005456	1	40	-1.0	-48.57	347.90	5.27	-43.30
CCCC(NC(=O)C1=C(C)N=C2C(Cl)=CC=CC2=C1)C1=NNN=N1	REAL000000005456	1	41	0.0	-14.95	351.32	5.29	-9.66
CCCC(NC(=O)C1=CC=C2OCC(=O)N(C)C2=C1)C1=NN=N[N-]1	REAL000000005457	0	41	-1.0	-48.53	341.49	2.64	-45.89
CCCC(NC(=O)C1=CC=C2OCC(=O)N(C)C2=C1)C1=N[N-]N=N1	REAL000000005457	1	41	-1.0	-48.53	341.43	2.63	-45.90
CCCC(NC(=O)C1=CC=C2OCC(=O)N(C)C2=C1)C1=NNN=N1	REAL000000005457	1	42	0.0	-11.78	337.67	2.32	-9.46
CCCC(NC(=O)C1=CC=CC(C(F)F)=C1F)C1=NN=N[N-]1	REAL000000005458	0	35	-1.0	-52.30	309.15	4.56	-47.74
CCCC(NC(=O)C1=CC=CC(C(F)F)=C1F)C1=N[N-]N=N1	REAL000000005458	1	35	-1.0	-52.30	309.09	4.55	-47.75
CCCC(NC(=O)C1=CC=CC(C(F)F)=C1F)C1=NNN=N1	REAL000000005458	1	36	0.0	-21.05	315.27	4.64	-16.42
CCCC(NC(=O)C1CC1(C)Br)C1=NN=N[N-]1	REAL000000005459	0	32	-1.0	-42.97	287.23	3.42	-39.54
CCCC(NC(=O)C1CC1(C)Br)C1=N[N-]N=N1	REAL000000005459	1	32	-1.0	-42.96	287.19	3.42	-39.54
CCCC(NC(=O)C1CC1(C)Br)C1=NNN=N1	REAL000000005459	1	33	0.0	-7.98	290.62	3.43	-4.55
CCCC(NC(=O)C1=CN(CC2CCOC2)N=N1)C1=NN=N[N-]1	REAL000000005460	0	42	-1.0	-49.37	353.29	0.94	-48.43
CCCC(NC(=O)C1=CN(CC2CCOC2)N=N1)C1=N[N-]N=N1	REAL000000005460	1	42	-1.0	-49.37	353.24	0.94	-48.43
CCCC(NC(=O)C1=CN(CC2CCOC2)N=N1)C1=NNN=N1	REAL000000005460	1	43	0.0	-14.34	354.21	0.94	-13.40
CCCC(NC(=O)C1CC(C2=CC=CC(Cl)=C2F)=NO1)C1=NN=N[N-]1	REAL000000005461	0	40	-1.0	-60.67	363.13	5.59	-55.08
CCCC(NC(=O)C1CC(C2=CC=CC(Cl)=C2F)=NO1)C1=N[N-]N=N1	REAL000000005461	1	40	-1.0	-60.67	363.07	5.60	-55.07
CCCC(NC(=O)C1CC(C2=CC=CC(Cl)=C2F)=NO1)C1=NNN=N1	REAL000000005461	1	41	0.0	-25.66	366.50	5.60	-20.06
CCCC(NC(=O)C1=CC(F)=C(Br)C=C1F)C1=NN=N[N-]1	REAL000000005462	0	32	-1.0	-43.82	305.87	4.39	-39.43
CCCC(NC(=O)C1=CC(F)=C(Br)C=C1F)C1=N[N-]N=N1	REAL000000005462	1	32	-1.0	-43.82	305.82	4.40	-39.43
CCCC(NC(=O)C1=CC(F)=C(Br)C=C1F)C1=NNN=N1	REAL000000005462	1	33	0.0	-7.46	302.08	4.07	-3.39
CCCC(NC(=O)CCC1=NN=C(C(F)F)O1)C1=NN=N[N-]1	REAL000000005463	0	36	-1.0	-45.93	325.63	-1.68	-47.61
CCCC(NC(=O)CCC1=NN=C(C(F)F)O1)C1=N[N-]N=N1	REAL000000005463	1	36	-1.0	-45.92	325.57	-1.69	-47.61
CCCC(NC(=O)CCC1=NN=C(C(F)F)O1)C1=NNN=N1	REAL000000005463	1	37	0.0	-13.54	329.00	-1.68	-15.22
CCCC(NC(=O)C1CCC1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000005464	0	42	-1.0	-47.84	349.12	6.17	-41.67
CCCC(NC(=O)C1CCC1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000005464	1	42	-1.0	-47.83	349.06	6.16	-41.67
CCCC(NC(=O)C1CCC1C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000005464	1	43	0.0	-10.09	342.56	5.95	-4.14
CCCC(NC(=O)CC1=C(C)N(C2=CC(C)=CC(C)=C2)C(C)=C1)C1=NN=N[N-]1	REAL000000005465	0	55	-1.0	-51.31	447.74	9.61	-41.70
CCCC(NC(=O)CC1=C(C)N(C2=CC(C)=CC(C)=C2)C(C)=C1)C1=N[N-]N=N1	REAL000000005465	1	55	-1.0	-51.32	447.70	9.62	-41.70
CCCC(NC(=O)CC1=C(C)N(C2=CC(C)=CC(C)=C2)C(C)=C1)C1=NNN=N1	REAL000000005465	1	56	0.0	-13.86	451.13	9.63	-4.24
CCCC(NC(=O)C1=C2CCCCN2C(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL000000005466	0	42	-1.0	-46.71	356.98	4.58	-42.12
CCCC(NC(=O)C1=C2CCCCN2C(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL000000005466	1	42	-1.0	-46.71	356.92	4.58	-42.13
CCCC(NC(=O)C1=C2CCCCN2C(C(F)(F)F)=N1)C1=NNN=N1	REAL000000005466	1	43	0.0	-10.34	360.36	4.60	-5.75
CCCC(NC(=O)CC1=C(CC)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000005467	0	44	-1.0	-49.42	365.61	6.19	-43.24
CCCC(NC(=O)CC1=C(CC)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000005467	1	44	-1.0	-49.42	365.55	6.18	-43.24
CCCC(NC(=O)CC1=C(CC)OC2=CC=CC=C21)C1=NNN=N1	REAL000000005467	1	45	0.0	-14.76	368.99	6.20	-8.56
CCCC(NC(=O)C=CSC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000005468	0	37	-1.0	-46.53	334.41	5.39	-41.15
CCCC(NC(=O)C=CSC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000005468	1	37	-1.0	-46.54	334.35	5.39	-41.15
CCCC(NC(=O)C=CSC1=CC=CC=C1)C1=NNN=N1	REAL000000005468	1	38	0.0	-7.92	330.58	5.07	-2.85
CCCC(NC(=O)C1=C(C)N(C2=CN=CC=N2)C(C)=C1)C1=NN=N[N-]1	REAL000000005469	0	44	-1.0	-52.72	365.51	4.79	-47.93
CCCC(NC(=O)C1=C(C)N(C2=CN=CC=N2)C(C)=C1)C1=N[N-]N=N1	REAL000000005469	1	44	-1.0	-52.72	365.46	4.78	-47.94
CCCC(NC(=O)C1=C(C)N(C2=CN=CC=N2)C(C)=C1)C1=NNN=N1	REAL000000005469	1	45	0.0	-11.84	361.65	4.46	-7.37
CCCC(NC(=O)C1=CC=C(C[N-]C(=O)C(F)(F)F)O1)C1=NN=N[N-]1	REAL000000005470	0	38	-2.0	-84.38	357.47	-0.36	-84.74
CCCC(NC(=O)C1=CC=C(C[N-]C(=O)C(F)(F)F)O1)C1=N[N-]N=N1	REAL000000005470	1	38	-2.0	-84.37	357.42	-0.36	-84.74
CCCC(NC(=O)C1=CC=C(C[N-]C(=O)C(F)(F)F)O1)C1=NNN=N1	REAL000000005470	1	39	-1.0	-37.13	360.85	-0.35	-37.48
C=C(Cl)CC(NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=NN=N[N-]1	REAL000000005471	0	49	-1.0	-40.45	405.47	2.94	-37.51
C=C(Cl)CC(NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=N[N-]N=N1	REAL000000005471	1	49	-1.0	-40.45	405.41	2.94	-37.51
C=C(Cl)CC(NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=NNN=N1	REAL000000005471	1	50	0.0	-9.34	408.85	2.95	-6.39
CCCC(NC(=O)C1=NN(C2CCOCC2)C=C1C)C1=NN=N[N-]1	REAL000000005472	0	46	-1.0	-49.08	370.83	2.96	-46.12
CCCC(NC(=O)C1=NN(C2CCOCC2)C=C1C)C1=N[N-]N=N1	REAL000000005472	1	46	-1.0	-49.08	370.77	2.95	-46.13
CCCC(NC(=O)C1=NN(C2CCOCC2)C=C1C)C1=NNN=N1	REAL000000005472	1	47	0.0	-11.60	374.24	2.97	-8.63
CCCC(NC(=O)C1=CC(C2=CC(OC)=CC=C2Cl)=NO1)C1=NN=N[N-]1	REAL000000005473	0	42	-1.0	-44.51	374.96	4.61	-39.90
CCCC(NC(=O)C1=CC(C2=CC(OC)=CC=C2Cl)=NO1)C1=N[N-]N=N1	REAL000000005473	1	42	-1.0	-44.51	374.90	4.61	-39.90
CCCC(NC(=O)C1=CC(C2=CC(OC)=CC=C2Cl)=NO1)C1=NNN=N1	REAL000000005473	1	43	0.0	-11.33	378.34	4.62	-6.71
CCCC(NC(=O)C1=CC=NC(Cl)=C1Cl)C1=NN=N[N-]1	REAL000000005474	0	31	-1.0	-45.80	297.58	2.78	-43.03
CCCC(NC(=O)C1=CC=NC(Cl)=C1Cl)C1=N[N-]N=N1	REAL000000005474	1	31	-1.0	-45.80	297.52	2.78	-43.02
CCCC(NC(=O)C1=CC=NC(Cl)=C1Cl)C1=NNN=N1	REAL000000005474	1	32	0.0	-13.83	300.96	2.79	-11.04
CCCC(NC(=O)CC(O)C(Cl)(Cl)Cl)C1=NN=N[N-]1	REAL000000005475	0	32	-1.0	-43.58	313.73	1.46	-42.11
CCCC(NC(=O)CC(O)C(Cl)(Cl)Cl)C1=N[N-]N=N1	REAL000000005475	1	32	-1.0	-43.58	313.67	1.46	-42.11
CCCC(NC(=O)CC(O)C(Cl)(Cl)Cl)C1=NNN=N1	REAL000000005475	1	33	0.0	-10.35	317.11	1.47	-8.88
CCCC(NC(=O)C1=CN=C(C2CC2)NC1=O)C1=NN=N[N-]1	REAL000000005476	0	38	-1.0	-51.58	323.93	2.30	-49.27
CCCC(NC(=O)C1=CN=C(C2CC2)NC1=O)C1=N[N-]N=N1	REAL000000005476	1	38	-1.0	-51.58	323.87	2.31	-49.27
CCCC(NC(=O)C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000005477	0	34	-1.0	-42.33	323.20	4.84	-37.49
CCCC(NC(=O)C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000005477	1	34	-1.0	-42.32	323.14	4.84	-37.48
CCCC(NC(=O)C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000005477	1	35	0.0	-9.93	319.38	4.53	-5.41
CCCC(NC(=O)CC1(O)CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000005478	0	56	-1.0	-54.73	426.64	3.29	-51.44
CCCC(NC(=O)CC1(O)CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000005478	1	56	-1.0	-54.72	426.58	3.29	-51.43
CCCC(NC(=O)CC1(O)CCCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000005478	1	57	0.0	-13.60	422.84	2.88	-10.73
CCCC(NC(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000005479	0	38	-1.0	-47.32	328.70	5.16	-42.16
CCCC(NC(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000005479	1	38	-1.0	-47.32	328.65	5.16	-42.16
CCCC(NC(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C1=NNN=N1	REAL000000005479	1	39	0.0	-9.08	324.88	4.85	-4.23
CCCC(NC(=O)C1=CC(OCC2=CC=CC=C2)=CS1)C1=NN=N[N-]1	REAL000000005480	0	43	-1.0	-47.58	378.75	5.94	-41.64
CCCC(NC(=O)C1=CC(OCC2=CC=CC=C2)=CS1)C1=N[N-]N=N1	REAL000000005480	1	43	-1.0	-47.58	378.70	5.93	-41.65
CCCC(NC(=O)C1=CC(OCC2=CC=CC=C2)=CS1)C1=NNN=N1	REAL000000005480	1	44	0.0	-12.46	382.13	5.94	-6.53
CCCC(NC(=O)CCC1=CC=CC(OCC)=C1)C1=NN=N[N-]1	REAL000000005481	0	45	-1.0	-47.79	371.74	5.36	-42.43
CCCC(NC(=O)CCC1=CC=CC(OCC)=C1)C1=N[N-]N=N1	REAL000000005481	1	45	-1.0	-47.78	371.68	5.36	-42.42
CCCC(NC(=O)CCC1=CC=CC(OCC)=C1)C1=NNN=N1	REAL000000005481	1	46	0.0	-8.84	367.89	5.04	-3.79
CCCC(NC(=O)C(C)N(CC)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000005482	0	51	-1.0	-44.40	395.21	4.53	-39.87
CCCC(NC(=O)C(C)N(CC)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000005482	1	51	-1.0	-44.41	395.15	4.52	-39.88
CCCC(NC(=O)C(C)N(CC)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005482	1	52	0.0	-11.36	398.58	4.54	-6.83
CCCC(NC(=O)C1CCN2C=C(C)N=C2C1)C1=NN=N[N-]1	REAL000000005483	0	42	-1.0	-45.69	341.10	4.41	-41.28
CCCC(NC(=O)C1CCN2C=C(C)N=C2C1)C1=N[N-]N=N1	REAL000000005483	1	42	-1.0	-45.68	341.04	4.40	-41.28
CCCC(NC(=O)C1CCN2C=C(C)N=C2C1)C1=NNN=N1	REAL000000005483	1	43	0.0	-13.12	344.50	4.42	-8.70
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC(F)=C1C)C1=NN=N[N-]1	REAL000000005484	0	40	-1.0	-46.46	349.73	-0.67	-47.12
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC(F)=C1C)C1=N[N-]N=N1	REAL000000005484	1	40	-1.0	-46.45	349.67	-0.68	-47.13
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC(F)=C1C)C1=NNN=N1	REAL000000005484	1	41	0.0	-12.53	345.97	-1.00	-13.53
CCCC(NC(=O)CC1=C2CCCCN2N=C1)C1=NN=N[N-]1	REAL000000005485	0	42	-1.0	-51.89	342.71	3.74	-48.16
CCCC(NC(=O)CC1=C2CCCCN2N=C1)C1=N[N-]N=N1	REAL000000005485	1	42	-1.0	-51.89	342.66	3.73	-48.16
CCCC(NC(=O)CC1=C2CCCCN2N=C1)C1=NNN=N1	REAL000000005485	1	43	0.0	-15.14	346.10	3.75	-11.39
CCCC(NC(=O)CC1=CN2C=C(C)SC2=N1)C1=NN=N[N-]1	REAL000000005486	0	38	-1.0	-61.27	337.45	4.96	-56.31
CCCC(NC(=O)C1=CC(C2=CC=CC(Cl)=C2F)=NO1)C1=NN=N[N-]1	REAL000000005487	0	38	-1.0	-44.40	352.45	5.11	-39.28
CCCC(NC(=O)C1=CC(C2=CC=CC(Cl)=C2F)=NO1)C1=N[N-]N=N1	REAL000000005487	1	38	-1.0	-44.40	352.40	5.11	-39.29
CCCC(NC(=O)C1=CC(C2=CC=CC(Cl)=C2F)=NO1)C1=NNN=N1	REAL000000005487	1	39	0.0	-10.82	355.83	5.12	-5.70
CCCC(NC(=O)C1=CC=C(C=CC(=O)OC)C=C1)C1=NN=N[N-]1	REAL000000005488	0	42	-1.0	-48.96	361.27	5.56	-43.40
CCCC(NC(=O)C1=CC=C(C=CC(=O)OC)C=C1)C1=N[N-]N=N1	REAL000000005488	1	42	-1.0	-48.95	361.21	5.56	-43.39
CCCC(NC(=O)C1=CC=C(C=CC(=O)OC)C=C1)C1=NNN=N1	REAL000000005488	1	43	0.0	-11.24	357.47	5.24	-6.00
CCCC(NC(=O)CC1CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL000000005489	0	40	-1.0	-54.59	333.91	4.48	-50.11
CCCC(NC(=O)CC1CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL000000005489	1	40	-1.0	-54.58	333.85	4.48	-50.10
CCCC(NC(=O)CC1CC2=CC=CC=C2O1)C1=NNN=N1	REAL000000005489	1	41	0.0	-12.13	330.10	4.14	-7.99
CCCC(NC(=O)C1=CC=C(Br)C(SC)=C1)C1=NN=N[N-]1	REAL000000005490	0	36	-1.0	-44.09	333.70	5.21	-38.88
CCCC(NC(=O)C1=CC=C(Br)C(SC)=C1)C1=N[N-]N=N1	REAL000000005490	1	36	-1.0	-44.08	333.64	5.21	-38.87
CCCC(NC(=O)C1=CC=C(Br)C(SC)=C1)C1=NNN=N1	REAL000000005490	1	37	0.0	-11.03	337.08	5.22	-5.81
CCCC(NC(=O)C1=CN(CC(=O)OC(C)(C)C)N=N1)C1=NN=N[N-]1	REAL000000005491	0	46	-1.0	-51.07	385.20	3.00	-48.07
CCCC(NC(=O)C1=CN(CC(=O)OC(C)(C)C)N=N1)C1=N[N-]N=N1	REAL000000005491	1	46	-1.0	-51.07	385.14	2.99	-48.08
CCCC(NC(=O)C1=CN(CC(=O)OC(C)(C)C)N=N1)C1=NNN=N1	REAL000000005491	1	47	0.0	-17.27	388.58	3.01	-14.26
CCCC(NC(=O)CC1=CC=CC=C1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000005492	0	50	-1.0	-54.30	401.34	6.74	-47.56
CCCC(NC(=O)CC1=CC=CC=C1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000005492	1	50	-1.0	-54.29	401.28	6.73	-47.56
CCCC(NC(=O)CC1=CC=CC=C1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005492	1	51	0.0	-13.53	404.71	6.75	-6.78
CCCC(NC(=O)CC1=CC=C(O)C(Cl)=C1)C1=NN=N[N-]1	REAL000000005493	0	36	-1.0	-46.96	326.03	2.03	-44.93
CCCC(NC(=O)CC1=CC=C(O)C(Cl)=C1)C1=N[N-]N=N1	REAL000000005493	1	36	-1.0	-46.96	325.97	2.01	-44.94
CCCC(NC(=O)C=CC1=CC=CC=C1OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000005494	0	50	-1.0	-52.35	419.01	8.20	-44.15
CCCC(NC(=O)C=CC1=CC=CC=C1OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000005494	1	50	-1.0	-52.36	418.95	8.19	-44.17
CCCC(NC(=O)C=CC1=CC=CC=C1OCC1=CC=CC=C1)C1=NNN=N1	REAL000000005494	1	51	0.0	-14.99	422.38	8.20	-6.78
CCCC(NC(=O)C=CC1=CC(C)=C(C)C=C1C)C1=NN=N[N-]1	REAL000000005495	0	45	-1.0	-46.75	365.48	6.63	-40.13
CCCC(NC(=O)C=CC1=CC(C)=C(C)C=C1C)C1=N[N-]N=N1	REAL000000005495	1	45	-1.0	-46.76	365.42	6.62	-40.14
CCCC(NC(=O)C=CC1=CC(C)=C(C)C=C1C)C1=NNN=N1	REAL000000005495	1	46	0.0	-10.83	368.86	6.63	-4.19
CCCC(NC(=O)C=CC1=CSC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000005496	0	36	-1.0	-45.84	339.52	4.98	-40.86
CCCC(NC(=O)C=CC1=CSC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000005496	1	36	-1.0	-45.84	339.46	4.98	-40.86
CCCC(NC(=O)C=CC1=CSC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000005496	1	37	0.0	-11.53	342.89	4.99	-6.54
CCCC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=CC=C1Cl)C1=NN=N[N-]1	REAL000000005497	0	49	-1.0	-47.81	408.66	4.42	-43.40
CCCC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=CC=C1Cl)C1=N[N-]N=N1	REAL000000005497	1	49	-1.0	-47.81	408.60	4.42	-43.39
CCCC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=CC=C1Cl)C1=NNN=N1	REAL000000005497	1	50	0.0	-10.75	405.14	4.10	-6.65
CCCC(NC(=O)CC1=CSC(CCC(F)(F)F)=N1)C1=NN=N[N-]1	REAL000000005498	0	40	-1.0	-45.72	366.70	3.90	-41.83
CCCC(NC(=O)CC1=CSC(CCC(F)(F)F)=N1)C1=N[N-]N=N1	REAL000000005498	1	40	-1.0	-45.71	366.64	3.90	-41.81
CCCC(NC(=O)CC1=CSC(CCC(F)(F)F)=N1)C1=NNN=N1	REAL000000005498	1	41	0.0	-13.46	370.08	3.91	-9.55
CCCC(NC(=O)C1C2CC3=CC(Br)=CC=C3C21)C1=NN=N[N-]1	REAL000000005499	0	40	-1.0	-46.59	346.79	6.70	-39.89
CCCC(NC(=O)C1C2CC3=CC(Br)=CC=C3C21)C1=N[N-]N=N1	REAL000000005499	1	40	-1.0	-46.59	346.74	6.70	-39.89
CCCC(NC(=O)C1C2CC3=CC(Br)=CC=C3C21)C1=NNN=N1	REAL000000005499	1	41	0.0	-10.94	350.18	6.71	-4.22
CCCC(NC(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl)C1=NN=N[N-]1	REAL000000005500	0	39	-1.0	-47.85	343.68	6.06	-41.79
CCCC(NC(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl)C1=N[N-]N=N1	REAL000000005500	1	39	-1.0	-47.85	343.62	6.05	-41.80
CCCC(NC(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl)C1=NNN=N1	REAL000000005500	1	40	0.0	-11.02	347.04	6.07	-4.96
CCCC(NC(=O)C(C)N1C=CC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL000000005501	0	38	-1.0	-52.33	339.07	3.22	-49.11
CCCC(NC(=O)C(C)N1C=CC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL000000005501	1	38	-1.0	-52.32	339.02	3.22	-49.10
CCCC(NC(=O)C(C)N1C=CC(C(F)(F)F)=N1)C1=NNN=N1	REAL000000005501	1	39	0.0	-14.86	342.42	3.23	-11.63
CCCC(NC(=O)C(C)OCC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL000000005502	0	45	-1.0	-50.48	374.65	6.08	-44.41
CCCC(NC(=O)C(C)OCC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL000000005502	1	45	-1.0	-50.48	374.60	6.07	-44.41
CCCC(NC(=O)C(C)OCC1=CC=CC(C)=C1)C1=NNN=N1	REAL000000005502	1	46	0.0	-14.52	378.02	6.09	-8.43
CCCC(NC(=O)C=CC1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL000000005503	0	39	-1.0	-51.09	342.42	5.67	-45.41
CCCC(NC(=O)C=CC1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL000000005503	1	39	-1.0	-51.09	342.37	5.67	-45.42
CCCC(NC(=O)C=CC1=CC=CC=C1C(F)(F)F)C1=NNN=N1	REAL000000005503	1	40	0.0	-14.86	345.80	5.68	-9.18
CCCC(NC(=O)C=CC1=CC=C2NC=CC2=C1)C1=NN=N[N-]1	REAL000000005504	0	40	-1.0	-50.17	340.21	4.87	-45.30
CCCC(NC(=O)C=CC1=CC=C2NC=CC2=C1)C1=N[N-]N=N1	REAL000000005504	1	40	-1.0	-50.17	340.16	4.86	-45.31
CCCC(NC(=O)C=CC1=CC=C2NC=CC2=C1)C1=NNN=N1	REAL000000005504	1	41	0.0	-13.92	343.59	4.88	-9.04
CCCC(NC(=O)C=CC1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000005505	0	56	-1.0	-48.12	438.84	5.92	-42.20
CCCC(NC(=O)C=CC1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000005505	1	56	-1.0	-48.12	438.78	5.91	-42.21
CCCC(NC(=O)C=CC1CCCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000005505	1	57	0.0	-10.97	435.00	5.60	-5.37
CCCC(NC(=O)C=CC1=CC(C(=O)OC)=CO1)C1=NN=N[N-]1	REAL000000005506	0	39	-1.0	-49.69	348.28	3.73	-45.96
CCCC(NC(=O)C=CC1=CC(C(=O)OC)=CO1)C1=N[N-]N=N1	REAL000000005506	1	39	-1.0	-49.69	348.23	3.73	-45.96
CCCC(NC(=O)C=CC1=CC(C(=O)OC)=CO1)C1=NNN=N1	REAL000000005506	1	40	0.0	-12.14	344.45	3.42	-8.72
CCCC(NC(=O)C1=CN(CC2CCCC2)N=C1)C1=NN=N[N-]1	REAL000000005507	0	45	-1.0	-47.10	366.04	4.93	-42.17
CCCC(NC(=O)C1=CN(CC2CCCC2)N=C1)C1=N[N-]N=N1	REAL000000005507	1	45	-1.0	-47.10	365.98	4.93	-42.17
CCCC(NC(=O)C1=CN(CC2CCCC2)N=C1)C1=NNN=N1	REAL000000005507	1	46	0.0	-11.72	369.41	4.94	-6.78
CCCC(NC(=O)C1=C(C)N(CCOC)N=C1)C1=NN=N[N-]1	REAL000000005508	0	42	-1.0	-46.17	350.40	1.79	-44.38
CCCC(NC(=O)C1=C(C)N(CCOC)N=C1)C1=N[N-]N=N1	REAL000000005508	1	42	-1.0	-46.17	350.35	1.79	-44.39
CCCC(NC(=O)C1=C(C)N(CCOC)N=C1)C1=NNN=N1	REAL000000005508	1	43	0.0	-11.55	353.79	1.80	-9.75
CCCC(NC(=O)C1=NOC2(CCN(C(=O)OC(C)(C)C)C2)C1)C1=NN=N[N-]1	REAL000000005509	0	54	-1.0	-46.26	433.66	3.23	-43.03
CCCC(NC(=O)C1=NOC2(CCN(C(=O)OC(C)(C)C)C2)C1)C1=N[N-]N=N1	REAL000000005509	1	54	-1.0	-46.25	433.60	3.23	-43.03
CCCC(NC(=O)C1=NOC2(CCN(C(=O)OC(C)(C)C)C2)C1)C1=NNN=N1	REAL000000005509	1	55	0.0	-12.91	436.74	3.24	-9.67
CCCC(NC(=O)[C@@H]1[C@@H](C2=CC=CC=C2)C1(C)C)C1=NN=N[N-]1	REAL000000005510	0	45	-1.0	-44.61	360.03	6.54	-38.07
CCCC(NC(=O)[C@@H]1[C@@H](C2=CC=CC=C2)C1(C)C)C1=N[N-]N=N1	REAL000000005510	1	45	-1.0	-44.60	359.97	6.54	-38.06
CCCC(NC(=O)[C@@H]1[C@@H](C2=CC=CC=C2)C1(C)C)C1=NNN=N1	REAL000000005510	1	46	0.0	-6.83	353.15	6.20	-0.63
CCCC(NC(=O)C1=CC(C)=CC(OC)=C1C)C1=NN=N[N-]1	REAL000000005511	0	42	-1.0	-48.29	339.80	4.40	-43.90
CCCC(NC(=O)C1=CC(C)=CC(OC)=C1C)C1=N[N-]N=N1	REAL000000005511	1	42	-1.0	-48.28	339.74	4.40	-43.89
CCCC(NC(=O)C1=CC(C)=CC(OC)=C1C)C1=NNN=N1	REAL000000005511	1	43	0.0	-8.49	336.00	4.07	-4.42
CCCC(NC(=O)CCC1=CC=C(F)C2=C1CCCC2)C1=NN=N[N-]1	REAL000000005512	0	48	-1.0	-44.27	381.97	7.43	-36.84
CCCC(NC(=O)CCC1=CC=C(F)C2=C1CCCC2)C1=N[N-]N=N1	REAL000000005512	1	48	-1.0	-44.26	381.91	7.42	-36.84
CCCC(NC(=O)CCC1=CC=C(F)C2=C1CCCC2)C1=NNN=N1	REAL000000005512	1	49	0.0	-10.54	385.34	7.44	-3.10
CCCC(NC(=O)C1=C(C)C=C(CNC(=O)OC(C)(C)C)O1)C1=NN=N[N-]1	REAL000000005513	0	52	-1.0	-46.05	424.89	2.95	-43.09
CCCC(NC(=O)C1=C(C)C=C(CNC(=O)OC(C)(C)C)O1)C1=N[N-]N=N1	REAL000000005513	1	52	-1.0	-46.06	424.83	2.95	-43.11
CCCC(NC(=O)C1=C(C)C=C(CNC(=O)OC(C)(C)C)O1)C1=NNN=N1	REAL000000005513	1	53	0.0	-11.32	428.26	2.96	-8.35
CCCC(NC(=O)C1=CN=C(CNC(=O)OC(C)(C)C)N=C1)C1=NN=N[N-]1	REAL000000005514	0	50	-1.0	-44.81	412.61	1.27	-43.54
CCCC(NC(=O)C1=CN=C(CNC(=O)OC(C)(C)C)N=C1)C1=N[N-]N=N1	REAL000000005514	1	50	-1.0	-44.81	412.55	1.27	-43.54
CCCC(NC(=O)C1=CN=C(CNC(=O)OC(C)(C)C)N=C1)C1=NNN=N1	REAL000000005514	1	51	0.0	-13.37	415.99	1.28	-12.09
CCCC(NC(=O)CC1=COC2=CC(Cl)=CC=C12)C1=NN=N[N-]1	REAL000000005515	0	38	-1.0	-47.03	343.53	5.20	-41.82
CCCC(NC(=O)CC1=COC2=CC(Cl)=CC=C12)C1=N[N-]N=N1	REAL000000005515	1	38	-1.0	-47.02	343.47	5.20	-41.83
CCCC(NC(=O)CC1=COC2=CC(Cl)=CC=C12)C1=NNN=N1	REAL000000005515	1	39	0.0	-14.07	346.91	5.22	-8.86
CCCC(NC(=O)C1=CC2=C(CC)C=CC=C2N1)C1=NN=N[N-]1	REAL000000005516	0	42	-1.0	-46.31	350.54	4.98	-41.33
CCCC(NC(=O)C1=CC2=C(CC)C=CC=C2N1)C1=N[N-]N=N1	REAL000000005516	1	42	-1.0	-46.31	350.48	4.98	-41.33
CCCC(NC(=O)C1=CC2=C(CC)C=CC=C2N1)C1=NNN=N1	REAL000000005516	1	43	0.0	-11.36	353.91	4.99	-6.37
CCCC(NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C1=NN=N[N-]1	REAL000000005517	0	37	-1.0	-48.40	301.75	2.45	-45.95
CCCC(NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C1=N[N-]N=N1	REAL000000005517	1	37	-1.0	-48.39	301.68	2.44	-45.95
CCCC(NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C1=NNN=N1	REAL000000005517	1	38	0.0	-11.16	305.13	2.46	-8.70
CCCC(NC(=O)CCC1=C2C=CC=CC2=C(F)C=C1)C1=NN=N[N-]1	REAL000000005518	0	44	-1.0	-44.85	368.41	7.27	-37.58
CCCC(NC(=O)CCC1=C2C=CC=CC2=C(F)C=C1)C1=N[N-]N=N1	REAL000000005518	1	44	-1.0	-44.84	368.35	7.26	-37.58
CCCC(NC(=O)CCC1=C2C=CC=CC2=C(F)C=C1)C1=NNN=N1	REAL000000005518	1	45	0.0	-11.53	371.78	7.28	-4.25
CCCC(NC(=O)CC1(C(=O)OCC)CCOCC1)C1=NN=N[N-]1	REAL000000005519	0	48	-1.0	-53.32	375.81	4.14	-49.18
CCCC(NC(=O)CC1(C(=O)OCC)CCOCC1)C1=N[N-]N=N1	REAL000000005519	1	48	-1.0	-53.31	375.75	4.13	-49.19
CCCC(NC(=O)CC1(C(=O)OCC)CCOCC1)C1=NNN=N1	REAL000000005519	1	49	0.0	-13.36	374.31	3.71	-9.65
CCCC(NC(=O)C1=CC(O)=CC(Br)=C1)C1=NN=N[N-]1	REAL000000005520	0	33	-1.0	-44.39	306.67	1.41	-42.97
CCCC(NC(=O)C1=CC(O)=CC(Br)=C1)C1=N[N-]N=N1	REAL000000005520	1	33	-1.0	-44.38	306.61	1.40	-42.98
CCCC(NC(=O)C1=CC(O)=CC(Br)=C1)C1=NNN=N1	REAL000000005520	1	34	0.0	-10.55	310.04	1.42	-9.13
CCCC(NC(=O)C(CC)C1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000005521	0	41	-1.0	-43.88	355.77	6.16	-37.72
CCCC(NC(=O)C(CC)C1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000005521	1	41	-1.0	-43.88	355.71	6.15	-37.73
CCCC(NC(=O)C(CC)C1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000005521	1	42	0.0	-7.76	351.92	5.84	-1.92
CCCC(NC(=O)C1C2CC3=CC(Cl)=CC=C3C21)C1=NN=N[N-]1	REAL000000005522	0	40	-1.0	-46.71	342.23	6.61	-40.11
CCCC(NC(=O)C1C2CC3=CC(Cl)=CC=C3C21)C1=N[N-]N=N1	REAL000000005522	1	40	-1.0	-46.70	342.17	6.60	-40.10
CCCC(NC(=O)C1C2CC3=CC(Cl)=CC=C3C21)C1=NNN=N1	REAL000000005522	1	41	0.0	-11.02	345.62	6.62	-4.40
CCCC(NC(=O)CCCC1=CC=C2OCCCOC2=C1)C1=NN=N[N-]1	REAL000000005523	0	50	-1.0	-49.47	404.72	5.85	-43.62
CCCC(NC(=O)CCCC1=CC=C2OCCCOC2=C1)C1=N[N-]N=N1	REAL000000005523	1	50	-1.0	-49.47	404.66	5.85	-43.62
CCCC(NC(=O)CCCC1=CC=C2OCCCOC2=C1)C1=NNN=N1	REAL000000005523	1	51	0.0	-15.48	408.08	5.86	-9.62
CCCC(NC(=O)C1=CN=CC(C2=CC=C(OC)C=C2C)=C1)C1=NN=N[N-]1	REAL000000005524	0	48	-1.0	-46.52	394.89	5.19	-41.33
CCCC(NC(=O)C1=CN=CC(C2=CC=C(OC)C=C2C)=C1)C1=N[N-]N=N1	REAL000000005524	1	48	-1.0	-46.52	394.83	5.18	-41.34
CCCC(NC(=O)C1=CN=CC(C2=CC=C(OC)C=C2C)=C1)C1=NNN=N1	REAL000000005524	1	49	0.0	-12.20	398.27	5.20	-7.00
CCCC(NC(=O)C1CC2=CC=C(Cl)C=C21)C1=NN=N[N-]1	REAL000000005525	0	36	-1.0	-43.33	320.90	5.41	-37.91
CCCC(NC(=O)C1CC2=CC=C(Cl)C=C21)C1=N[N-]N=N1	REAL000000005525	1	36	-1.0	-43.33	320.85	5.40	-37.92
CCCC(NC(=O)C1CC2=CC=C(Cl)C=C21)C1=NNN=N1	REAL000000005525	1	37	0.0	-9.63	324.16	5.40	-4.23
CCCC(NC(=O)C1=CC=C(C2CCOCC2)C=C1)C1=NN=N[N-]1	REAL000000005526	0	46	-1.0	-46.89	366.88	5.06	-41.82
CCCC(NC(=O)C1=CC=C(C2CCOCC2)C=C1)C1=N[N-]N=N1	REAL000000005526	1	46	-1.0	-46.88	366.82	5.05	-41.83
CCCC(NC(=O)C1=CC=C(C2CCOCC2)C=C1)C1=NNN=N1	REAL000000005526	1	47	0.0	-11.21	370.24	5.07	-6.14
CCCC(NC(=O)C1=CN=C2C(=C1)NC(=O)CN2C)C1=NN=N[N-]1	REAL000000005527	0	41	-1.0	-45.92	343.83	-0.44	-46.36
CCCC(NC(=O)C1=CN=C2C(=C1)NC(=O)CN2C)C1=N[N-]N=N1	REAL000000005527	1	41	-1.0	-45.92	343.78	-0.44	-46.36
CCCC(NC(=O)C1=CN=C2C(=C1)NC(=O)CN2C)C1=NNN=N1	REAL000000005527	1	42	0.0	-13.73	347.21	-0.43	-14.16
CCCC(NC(=O)C1=CC(C)=CC(Br)=C1F)C1=NN=N[N-]1	REAL000000005528	0	35	-1.0	-49.80	320.90	5.00	-44.80
CCCC(NC(=O)C1=CC(C)=CC(Br)=C1F)C1=N[N-]N=N1	REAL000000005528	1	35	-1.0	-49.80	320.84	4.99	-44.81
CCCC(NC(=O)C1=CC(C)=CC(Br)=C1F)C1=NNN=N1	REAL000000005528	1	36	0.0	-14.42	324.27	5.01	-9.41
CCCC(NC(=O)C1=CC=C(C2=CC=CC(Cl)=C2)NC1=O)C1=NN=N[N-]1	REAL000000005529	0	42	-1.0	-56.56	367.67	4.93	-51.63
CCCC(NC(=O)C1=CC=C(C2=CC=CC(Cl)=C2)NC1=O)C1=N[N-]N=N1	REAL000000005529	1	42	-1.0	-56.57	367.61	4.92	-51.64
CCCC(NC(=O)C1=CC=C(C2=CC=CC(Cl)=C2)NC1=O)C1=NNN=N1	REAL000000005529	1	43	0.0	-15.70	370.90	4.95	-10.76
CCCC(NC(=O)C1=CSC(N(C)C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL000000005530	0	43	-1.0	-46.55	378.78	5.98	-40.57
CCCC(NC(=O)C1=CSC(N(C)C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL000000005530	1	43	-1.0	-46.55	378.72	5.97	-40.58
CCCC(NC(=O)C1=CSC(N(C)C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000005530	1	44	0.0	-9.99	382.15	5.99	-4.00
CCCC(NC(=O)C=CC1=CC=C(OC)C(O)=C1)C1=NN=N[N-]1	REAL000000005531	0	41	-1.0	-49.42	349.05	2.01	-47.41
CCCC(NC(=O)C=CC1=CC=C(OC)C(O)=C1)C1=N[N-]N=N1	REAL000000005531	1	41	-1.0	-49.42	348.99	2.01	-47.41
CCCC(NC(=O)C=CC1=CC=C(OC)C(O)=C1)C1=NNN=N1	REAL000000005531	1	42	0.0	-14.52	352.42	2.02	-12.50
CCCC(NC(=O)C=CC1=C(C(F)(F)F)SC=C1)C1=NN=N[N-]1	REAL000000005532	0	36	-1.0	-49.37	334.57	4.82	-44.56
CCCC(NC(=O)C=CC1=C(C(F)(F)F)SC=C1)C1=N[N-]N=N1	REAL000000005532	1	36	-1.0	-49.37	334.52	4.81	-44.56
CCCC(NC(=O)C=CC1=C(C(F)(F)F)SC=C1)C1=NNN=N1	REAL000000005532	1	37	0.0	-13.94	337.94	4.83	-9.12
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2OC)S1)C1=NN=N[N-]1	REAL000000005543	0	43	-1.0	-48.42	376.39	5.89	-42.53
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2OC)S1)C1=N[N-]N=N1	REAL000000005543	1	43	-1.0	-48.42	376.33	5.88	-42.54
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2OC)S1)C1=NNN=N1	REAL000000005543	1	44	0.0	-11.69	379.76	5.90	-5.79
CCCC(NC(=O)C1=CC=C(CC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000005544	0	47	-1.0	-46.43	370.87	6.66	-39.77
CCCC(NC(=O)C1=CC=C(CC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000005544	1	47	-1.0	-46.44	370.82	6.67	-39.77
CCCC(NC(=O)C1=CC=C(CC(C)(C)C)C=C1)C1=NNN=N1	REAL000000005544	1	48	0.0	-7.09	367.01	6.35	-0.74
CCCC(NC(=O)CC1CCOCC1OCC)C1=NN=N[N-]1	REAL000000005545	0	46	-1.0	-43.79	362.28	2.61	-41.18
CCCC(NC(=O)CC1CCOCC1OCC)C1=N[N-]N=N1	REAL000000005545	1	46	-1.0	-43.79	362.22	2.61	-41.18
CCCC(NC(=O)CC1CCOCC1OCC)C1=NNN=N1	REAL000000005545	1	47	0.0	-10.17	365.66	2.61	-7.55
CCCC(NC(=O)C1=C(C)N(C2=CC=C(C(F)(F)F)C=C2)N=C1)C1=NN=N[N-]1	REAL000000005546	0	45	-1.0	-45.79	390.62	6.24	-39.55
CCCC(NC(=O)C1=C(C)N(C2=CC=C(C(F)(F)F)C=C2)N=C1)C1=N[N-]N=N1	REAL000000005546	1	45	-1.0	-45.79	390.56	6.23	-39.56
CCCC(NC(=O)C1=C(C)N(C2=CC=C(C(F)(F)F)C=C2)N=C1)C1=NNN=N1	REAL000000005546	1	46	0.0	-9.27	386.81	5.92	-3.35
CCCC(NC(=O)C=CCOC1CCOCC1)C1=NN=N[N-]1	REAL000000005547	0	44	-1.0	-48.35	360.84	2.26	-46.09
CCCC(NC(=O)C=CCOC1CCOCC1)C1=N[N-]N=N1	REAL000000005547	1	44	-1.0	-48.35	360.79	2.26	-46.09
CCCC(NC(=O)C=CCOC1CCOCC1)C1=NNN=N1	REAL000000005547	1	45	0.0	-13.55	364.22	2.27	-11.29
CCCC(NC(=O)C=CC1=CC=C(N2CCCS2(=O)=O)C=C1)C1=NN=N[N-]1	REAL000000005548	0	48	-1.0	-59.77	405.18	3.36	-56.40
CCCC(NC(=O)C=CC1=CC=C(N2CCCS2(=O)=O)C=C1)C1=N[N-]N=N1	REAL000000005548	1	48	-1.0	-59.77	405.12	3.36	-56.41
CCCC(NC(=O)C=CC1=CC=C(N2CCCS2(=O)=O)C=C1)C1=NNN=N1	REAL000000005548	1	49	0.0	-22.65	408.56	3.37	-19.28
CCCC(NC(=O)C=CC1=CC=C(Cl)N=C1)C1=NN=N[N-]1	REAL000000005549	0	35	-1.0	-45.76	320.63	3.49	-42.27
CCCC(NC(=O)C=CC1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL000000005549	1	35	-1.0	-45.76	320.58	3.48	-42.28
CCCC(NC(=O)C=CC1=CC=C(Cl)N=C1)C1=NNN=N1	REAL000000005549	1	36	0.0	-12.26	324.01	3.50	-8.76
CCCC(NC(=O)C=CC1=CC=C(C(=O)OC)O1)C1=NN=N[N-]1	REAL000000005550	0	39	-1.0	-45.91	349.80	3.87	-42.04
CCCC(NC(=O)C=CC1=CC=C(C(=O)OC)O1)C1=N[N-]N=N1	REAL000000005550	1	39	-1.0	-45.91	349.74	3.87	-42.04
CCCC(NC(=O)C=CC1=CC=C(C(=O)OC)O1)C1=NNN=N1	REAL000000005550	1	40	0.0	-10.21	345.97	3.56	-6.66
CCCC(NC(=O)C1=CC=C(C2=CN(C)N=C2)C=C1)C1=NN=N[N-]1	REAL000000005551	0	42	-1.0	-51.90	354.33	4.95	-46.95
CCCC(NC(=O)C1=CC=C(C2=CN(C)N=C2)C=C1)C1=N[N-]N=N1	REAL000000005551	1	42	-1.0	-51.89	354.27	4.95	-46.94
CCCC(NC(=O)C1=CC=C(C2=CN(C)N=C2)C=C1)C1=NNN=N1	REAL000000005551	1	43	0.0	-12.71	350.53	4.63	-8.07
CCCC(NC(=O)CN1N=C(C)C=C1C(F)F)C1=NN=N[N-]1	REAL000000005552	0	38	-1.0	-51.77	334.96	3.03	-48.74
CCCC(NC(=O)CN1N=C(C)C=C1C(F)F)C1=N[N-]N=N1	REAL000000005552	1	38	-1.0	-51.78	334.90	3.03	-48.75
CCCC(NC(=O)CN1N=C(C)C=C1C(F)F)C1=NNN=N1	REAL000000005552	1	39	0.0	-12.84	328.04	2.62	-10.22
CCCC(NC(=O)C1=CC=CN(C2CC2)C1=O)C1=NN=N[N-]1	REAL000000005563	0	39	-1.0	-57.93	324.48	4.15	-53.78
CCCC(NC(=O)CN1CCCCC(=O)C1=O)C1=NN=N[N-]1	REAL000000005564	0	41	-1.0	-55.08	335.96	2.51	-52.57
CCCC(NC(=O)CN1CCCCC(=O)C1=O)C1=N[N-]N=N1	REAL000000005564	1	41	-1.0	-55.07	335.90	2.50	-52.57
CCCC(NC(=O)CN1CCCCC(=O)C1=O)C1=NNN=N1	REAL000000005564	1	42	0.0	-15.36	339.33	2.52	-12.84
CCCC(NC(=O)C1CC2CCCCC(C1)C2=O)C1=NN=N[N-]1	REAL000000005565	0	47	-1.0	-45.16	345.83	5.10	-40.06
CCCC(NC(=O)C1CC2CCCCC(C1)C2=O)C1=N[N-]N=N1	REAL000000005565	1	47	-1.0	-45.16	345.78	5.10	-40.05
CCCC(NC(=O)C1CC2CCCCC(C1)C2=O)C1=NNN=N1	REAL000000005565	1	48	0.0	-11.29	353.13	5.14	-6.15
CCCC(NC(=O)C1=C2N[C@H](C)C[C@H](C(F)(F)F)N2N=C1)C1=NN=N[N-]1	REAL000000005566	0	44	-1.0	-49.14	373.06	3.08	-46.06
CCCC(NC(=O)C1=C2N[C@H](C)C[C@H](C(F)(F)F)N2N=C1)C1=N[N-]N=N1	REAL000000005566	1	44	-1.0	-49.14	373.00	3.07	-46.07
CCCC(NC(=O)C1=C2N[C@H](C)C[C@H](C(F)(F)F)N2N=C1)C1=NNN=N1	REAL000000005566	1	45	0.0	-11.01	369.25	2.76	-8.25
CCCC(NC(=O)C(CO)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000005567	0	46	-1.0	-46.32	373.82	-1.92	-48.24
CCCC(NC(=O)C(CO)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000005567	1	46	-1.0	-46.31	373.76	-1.93	-48.24
CCCC(NC(=O)C(CO)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005567	1	47	0.0	-12.66	377.20	-1.92	-14.57
CCCC(NC(=O)CC1=NC(F)=C(F)C=C1F)C1=NN=N[N-]1	REAL000000005568	0	34	-1.0	-48.17	312.03	2.49	-45.68
CCCC(NC(=O)CC1=NC(F)=C(F)C=C1F)C1=N[N-]N=N1	REAL000000005568	1	34	-1.0	-48.16	311.97	2.48	-45.68
CCCC(NC(=O)CC1=NC(F)=C(F)C=C1F)C1=NNN=N1	REAL000000005568	1	35	0.0	-12.22	315.41	2.50	-9.72
C=CC(=O)NC1=CC=CC(C(=O)NC(CCC)C2=NN=N[N-]2)=C1	REAL000000005569	0	40	-1.0	-61.92	342.86	3.09	-58.83
C=CC(=O)NC1=CC=CC(C(=O)NC(CCC)C2=N[N-]N=N2)=C1	REAL000000005569	1	40	-1.0	-61.92	342.80	3.09	-58.83
C=CC(=O)NC1=CC=CC(C(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000005569	1	41	0.0	-17.22	339.05	2.77	-14.44
CCCC(NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C1=NN=N[N-]1	REAL000000005570	0	43	-1.0	-59.83	354.89	0.32	-59.52
CCCC(NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C1=N[N-]N=N1	REAL000000005570	1	43	-1.0	-59.83	354.83	0.31	-59.52
CCCC(NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C1=NNN=N1	REAL000000005570	1	44	0.0	-18.73	358.28	0.33	-18.40
CCCC(NC(=O)CC1=CSC2=C1C=C(CC)S2)C1=NN=N[N-]1	REAL000000005571	0	41	-1.0	-46.82	369.95	6.35	-40.47
CCCC(NC(=O)CC1=CSC2=C1C=C(CC)S2)C1=N[N-]N=N1	REAL000000005571	1	41	-1.0	-46.83	369.90	6.34	-40.49
CCCC(NC(=O)CC1=CSC2=C1C=C(CC)S2)C1=NNN=N1	REAL000000005571	1	42	0.0	-12.89	373.33	6.36	-6.53
CCCC(NC(=O)C1=CC(C(F)(F)F)=NC=N1)C1=NN=N[N-]1	REAL000000005572	0	33	-1.0	-41.25	306.58	2.74	-38.51
CCCC(NC(=O)C1=CC(C(F)(F)F)=NC=N1)C1=N[N-]N=N1	REAL000000005572	1	33	-1.0	-41.25	306.52	2.74	-38.51
CCCC(NC(=O)C1=CC(C(F)(F)F)=NC=N1)C1=NNN=N1	REAL000000005572	1	34	0.0	-9.10	309.96	2.75	-6.35
CCCC(NC(=O)C1C2CC3=CC=C(Br)C=C3C21)C1=NN=N[N-]1	REAL000000005573	0	40	-1.0	-44.81	346.81	6.70	-38.10
CCCC(NC(=O)C1C2CC3=CC=C(Br)C=C3C21)C1=N[N-]N=N1	REAL000000005573	1	40	-1.0	-44.81	346.75	6.70	-38.10
CCCC(NC(=O)C1C2CC3=CC=C(Br)C=C3C21)C1=NNN=N1	REAL000000005573	1	41	0.0	-7.94	343.01	6.39	-1.55
CCCC(NC(=O)CC1=COC2=C(Cl)C(Cl)=CC=C12)C1=NN=N[N-]1	REAL000000005574	0	38	-1.0	-47.74	358.68	5.67	-42.07
CCCC(NC(=O)CC1=COC2=C(Cl)C(Cl)=CC=C12)C1=N[N-]N=N1	REAL000000005574	1	38	-1.0	-47.73	358.63	5.66	-42.07
CCCC(NC(=O)CC1=COC2=C(Cl)C(Cl)=CC=C12)C1=NNN=N1	REAL000000005574	1	39	0.0	-15.18	362.06	5.67	-9.51
CCCC(NC(=O)CCCOC1CCOCC1)C1=NN=N[N-]1	REAL000000005575	0	46	-1.0	-49.20	369.09	2.44	-46.76
CCCC(NC(=O)CCCOC1CCOCC1)C1=N[N-]N=N1	REAL000000005575	1	46	-1.0	-49.21	369.03	2.43	-46.77
CCCC(NC(=O)CCCOC1CCOCC1)C1=NNN=N1	REAL000000005575	1	47	0.0	-10.66	365.28	2.13	-8.53
CCCC(NC(=O)C1=COC2=C1C(=O)NCC(C)(C)C2)C1=NN=N[N-]1	REAL000000005576	0	46	-1.0	-59.50	372.72	2.59	-56.90
CCCC(NC(=O)C1=COC2=C1C(=O)NCC(C)(C)C2)C1=N[N-]N=N1	REAL000000005576	1	46	-1.0	-59.49	372.66	2.58	-56.91
CCCC(NC(=O)C1=COC2=C1C(=O)NCC(C)(C)C2)C1=NNN=N1	REAL000000005576	1	47	0.0	-22.53	376.10	2.59	-19.94
CCCC(NC(=O)CCOC(=O)CNC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL000000005577	0	50	-1.0	-49.12	413.70	2.84	-46.28
CCCC(NC(=O)CCOC(=O)CNC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL000000005577	1	50	-1.0	-49.12	413.64	2.83	-46.28
CCCC(NC(=O)CCOC(=O)CNC(=O)C(C)(C)C)C1=NNN=N1	REAL000000005577	1	51	0.0	-15.50	417.07	2.85	-12.65
CCCC(NC(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000005578	0	55	-1.0	-46.75	421.35	4.23	-42.52
CCCC(NC(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000005578	1	55	-1.0	-46.75	421.29	4.23	-42.52
CCCC(NC(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000005578	1	56	0.0	-12.84	424.72	4.24	-8.60
CCCC(NC(=O)CCC1=CC=C(N2CCCS2(=O)=O)C=C1)C1=NN=N[N-]1	REAL000000005579	0	50	-1.0	-60.87	416.99	3.64	-57.23
CCCC(NC(=O)CCC1=CC=C(N2CCCS2(=O)=O)C=C1)C1=N[N-]N=N1	REAL000000005579	1	50	-1.0	-60.87	416.93	3.64	-57.22
CCCC(NC(=O)CCC1=CC=C(N2CCCS2(=O)=O)C=C1)C1=NNN=N1	REAL000000005579	1	51	0.0	-23.00	420.37	3.65	-19.34
CCCC(NC(=O)C1=CN(CC)N=C1C1CC1)C1=NN=N[N-]1	REAL000000005580	0	42	-1.0	-50.27	350.52	4.44	-45.84
CCCC(NC(=O)C1=CN(CC)N=C1C1CC1)C1=N[N-]N=N1	REAL000000005580	1	42	-1.0	-50.28	350.47	4.44	-45.83
CCCC(NC(=O)C1=CN(CC)N=C1C1CC1)C1=NNN=N1	REAL000000005580	1	43	0.0	-11.36	346.73	4.11	-7.24
CCCC(NC(=O)CC1=CSC2=C1C=C(C)S2)C1=NN=N[N-]1	REAL000000005581	0	38	-1.0	-47.13	348.46	5.56	-41.57
CCCC(NC(=O)CC1=CSC2=C1C=C(C)S2)C1=N[N-]N=N1	REAL000000005581	1	38	-1.0	-47.13	348.40	5.55	-41.58
CCCC(NC(=O)CC1=CSC2=C1C=C(C)S2)C1=NNN=N1	REAL000000005581	1	39	0.0	-13.16	351.84	5.57	-7.59
CCCC(NC(=O)C1CC(NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000005582	0	49	-1.0	-57.76	391.15	2.35	-55.41
CCCC(NC(=O)C1CC(NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000005582	1	49	-1.0	-57.75	391.10	2.35	-55.40
CCCC(NC(=O)C1CC(NC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000005582	1	50	0.0	-16.77	394.54	2.36	-14.41
CCCC(NC(=O)CC1=CC=C(C(=O)OC)N=C1)C1=NN=N[N-]1	REAL000000005603	0	40	-1.0	-50.73	349.58	3.15	-47.58
CCCC(NC(=O)CC1=CC=C(C(=O)OC)N=C1)C1=N[N-]N=N1	REAL000000005603	1	40	-1.0	-50.73	349.53	3.15	-47.58
CCCC(NC(=O)CC1=CC=C(C(=O)OC)N=C1)C1=NNN=N1	REAL000000005603	1	41	0.0	-17.80	352.96	3.17	-14.63
CCCC(NC(=O)C1=CC(Br)=CC(F)=C1[O-])C1=NN=N[N-]1	REAL000000005604	0	32	-2.0	-107.06	307.13	3.87	-103.19
CCCC(NC(=O)C1=CC(Br)=CC(F)=C1[O-])C1=N[N-]N=N1	REAL000000005604	1	32	-2.0	-107.07	307.07	3.86	-103.21
CCCC(NC(=O)C1=NN(C)C=C1CN1CCC(O)C1)C1=NN=N[N-]1	REAL000000005606	0	48	-1.0	-55.35	390.69	-1.24	-56.59
CCCC(NC(=O)C1=NN(C)C=C1CN1CCC([NH+](C)C)C1)C1=NN=N[N-]1	REAL000000005607	0	56	0.0	-66.00	436.41	3.26	-62.75
CCCC(NC(=O)C1=NN(C)C=C1CN1CCC([NH+](C)C)C1)C1=N[N-]N=N1	REAL000000005607	1	56	0.0	-66.01	436.35	3.25	-62.76
CCCC(NC(=O)C1=NN(C)C=C1CN1CCC([NH+](C)C)C1)C1=NNN=N1	REAL000000005607	1	57	1.0	-42.73	439.81	3.27	-39.46
CCCC(NC(=O)C1CC(=O)N(C2CN(C)C2)C1)C1=NN=N[N-]1	REAL000000005608	0	45	-1.0	-43.71	359.04	-0.39	-44.10
CCCC(NC(=O)C1CC(=O)N(C2CN(C)C2)C1)C1=N[N-]N=N1	REAL000000005608	1	45	-1.0	-43.70	358.98	-0.40	-44.10
CCCC(NC(=O)C1=C(Br)N(C(C)C)N=C1)C1=NN=N[N-]1	REAL000000005609	0	38	-1.0	-45.57	338.86	3.39	-42.18
CCCC(NC(=O)C1=C(Br)N(C(C)C)N=C1)C1=N[N-]N=N1	REAL000000005609	1	38	-1.0	-45.56	338.80	3.39	-42.17
CCCC(NC(=O)C1=C(Br)N(C(C)C)N=C1)C1=NNN=N1	REAL000000005609	1	39	0.0	-11.12	342.23	3.40	-7.72
CCCC(NC(=O)C(C)CC(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000005610	0	43	-1.0	-43.49	362.33	5.64	-37.85
CCCC(NC(=O)C(C)CC(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000005610	1	43	-1.0	-43.49	362.27	5.64	-37.85
CCCC(NC(=O)C(C)CC(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000005610	1	44	0.0	-8.32	358.52	5.33	-2.99
CCCC(NC(=O)CCC1C(C)NC2=CC=NN2C1C)C1=NN=N[N-]1	REAL000000005611	0	50	-1.0	-53.94	381.94	3.46	-50.48
CCCC(NC(=O)CCC1C(C)NC2=CC=NN2C1C)C1=N[N-]N=N1	REAL000000005611	1	50	-1.0	-53.94	381.88	3.46	-50.47
CCCC(NC(=O)CCC1C(C)NC2=CC=NN2C1C)C1=NNN=N1	REAL000000005611	1	51	0.0	-15.16	391.39	3.74	-11.43
CCCC(NC(=O)C1=CN=C(C2=C(Cl)C=CC=C2Cl)S1)C1=NN=N[N-]1	REAL000000005612	0	38	-1.0	-49.20	363.91	5.77	-43.43
CCCC(NC(=O)C1=CN=C(C2=C(Cl)C=CC=C2Cl)S1)C1=N[N-]N=N1	REAL000000005612	1	38	-1.0	-49.21	363.85	5.76	-43.45
CCCC(NC(=O)C1=CN=C(C2=C(Cl)C=CC=C2Cl)S1)C1=NNN=N1	REAL000000005612	1	39	0.0	-13.20	367.28	5.78	-7.42
CCCC(NC(=O)C1=CC=C(N=S(C)(C)=O)C=C1)C1=NN=N[N-]1	REAL000000005623	0	42	-1.0	-66.36	355.23	2.04	-64.32
CCCC(NC(=O)C1=CC=C(N=S(C)(C)=O)C=C1)C1=N[N-]N=N1	REAL000000005623	1	42	-1.0	-66.36	355.18	2.04	-64.32
CCCC(NC(=O)C1=CC=C(N=S(C)(C)=O)C=C1)C1=NNN=N1	REAL000000005623	1	43	0.0	-25.96	358.61	2.05	-23.91
CCCC(NC(=O)C1=NC(C(C)(C)C)=CS1)C1=NN=N[N-]1	REAL000000005624	0	40	-1.0	-49.51	342.27	3.31	-46.20
CCCC(NC(=O)C1=NC(C(C)(C)C)=CS1)C1=N[N-]N=N1	REAL000000005624	1	40	-1.0	-49.51	342.21	3.31	-46.21
CCCC(NC(=O)C1=NC(C(C)(C)C)=CS1)C1=NNN=N1	REAL000000005624	1	41	0.0	-13.51	345.65	3.31	-10.20
CCCC(NC(=O)CC1=CC=C(Br)C=C1Cl)C1=NN=N[N-]1	REAL000000005625	0	35	-1.0	-43.04	334.51	5.36	-37.68
CCCC(NC(=O)CC1=CC=C(Br)C=C1Cl)C1=N[N-]N=N1	REAL000000005625	1	35	-1.0	-43.04	334.45	5.35	-37.69
CCCC(NC(=O)CC1=CC=C(Br)C=C1Cl)C1=NNN=N1	REAL000000005625	1	36	0.0	-10.48	337.89	5.37	-5.10
CCCC(NC(=O)C1=CC2=C(C3CC3)C=CC=C2N1)C1=NN=N[N-]1	REAL000000005626	0	43	-1.0	-46.82	356.96	5.65	-41.17
CCCC(NC(=O)C1=CC2=C(C3CC3)C=CC=C2N1)C1=N[N-]N=N1	REAL000000005626	1	43	-1.0	-46.82	356.90	5.65	-41.16
CCCC(NC(=O)C1=CC2=C(C3CC3)C=CC=C2N1)C1=NNN=N1	REAL000000005626	1	44	0.0	-11.71	360.33	5.66	-6.05
CCCC(NC(=O)CC1=C(C)NC(=O)NC1=O)C1=NN=N[N-]1	REAL000000005627	0	38	-1.0	-60.95	325.49	-0.96	-61.91
CCCC(NC(=O)CC1=C(C)NC(=O)NC1=O)C1=N[N-]N=N1	REAL000000005627	1	38	-1.0	-60.94	325.43	-0.97	-61.90
CCCC(NC(=O)CC1=C(C)NC(=O)NC1=O)C1=NNN=N1	REAL000000005627	1	39	0.0	-22.36	328.19	-1.01	-23.37
CCCC(NC(=O)CC1C(=O)NC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL000000005628	0	40	-1.0	-51.42	342.64	4.04	-47.38
CCCC(NC(=O)CC1C(=O)NC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL000000005628	1	40	-1.0	-51.42	342.58	4.04	-47.39
CCCC(NC(=O)CC1C(=O)NC2=CC=C(F)C=C21)C1=NNN=N1	REAL000000005628	1	41	0.0	-15.31	346.01	4.05	-11.26
CCCC(NC(=O)C1=CC=C(C2=CC=C(C=O)O2)C=C1[O-])C1=NN=N[N-]1	REAL000000005629	0	41	-2.0	-131.70	363.18	5.31	-126.39
CCCC(NC(=O)C1=CN(CC(O)CC)N=N1)C1=NN=N[N-]1	REAL000000005630	0	41	-1.0	-49.23	350.12	-0.92	-50.14
CCCC(NC(=O)C1=CN(CC(O)CC)N=N1)C1=N[N-]N=N1	REAL000000005630	1	41	-1.0	-49.23	350.06	-0.92	-50.16
CCCC(NC(=O)C1=CN(CC(O)CC)N=N1)C1=NNN=N1	REAL000000005630	1	42	0.0	-14.95	353.49	-0.91	-15.86
CCCC(NC(=O)C(=O)C1=CNC2=CC(F)=CC=C12)C1=NN=N[N-]1	REAL000000005631	0	38	-1.0	-41.88	333.81	3.60	-38.28
CCCC(NC(=O)C(=O)C1=CNC2=CC(F)=CC=C12)C1=N[N-]N=N1	REAL000000005631	1	38	-1.0	-41.88	333.75	3.59	-38.29
CCCC(NC(=O)C(=O)C1=CNC2=CC(F)=CC=C12)C1=NNN=N1	REAL000000005631	1	39	0.0	-10.48	337.18	3.60	-6.88
CCCC(NC(=O)C1=CC(S(=O)(=O)CC#N)=CC=C1F)C1=NN=N[N-]1	REAL000000005632	0	39	-1.0	-57.92	360.35	1.91	-56.02
CCCC(NC(=O)C1=CC(S(=O)(=O)CC#N)=CC=C1F)C1=N[N-]N=N1	REAL000000005632	1	39	-1.0	-57.93	360.29	1.90	-56.03
CCCC(NC(=O)C1=CC(S(=O)(=O)CC#N)=CC=C1F)C1=NNN=N1	REAL000000005632	1	40	0.0	-26.60	363.73	1.92	-24.68
CCCC(NC(=O)CCCC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000005643	0	43	-1.0	-56.36	362.10	5.74	-50.62
CCCC(NC(=O)CCCC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000005643	1	43	-1.0	-56.35	362.05	5.74	-50.61
CCCC(NC(=O)CCCC(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000005643	1	44	0.0	-19.90	365.48	5.75	-14.15
CCCC(NC(=O)C1=CC2=CC(F)=CC=C2NC1=O)C1=NN=N[N-]1	REAL000000005644	0	38	-1.0	-50.92	329.89	3.05	-47.86
CCCC(NC(=O)C1=CC2=CC(F)=CC=C2NC1=O)C1=N[N-]N=N1	REAL000000005644	1	38	-1.0	-50.93	329.83	3.05	-47.88
CCCC(NC(=O)C1=CC2=CC(F)=CC=C2NC1=O)C1=NNN=N1	REAL000000005644	1	39	0.0	-13.10	333.41	3.06	-10.04
CCCC(NC(=O)C1=CC=C(CN2CCOCC2)O1)C1=NN=N[N-]1	REAL000000005645	0	45	-1.0	-45.67	368.48	0.96	-44.71
CCCC(NC(=O)C1=CC=C(CN2CCOCC2)O1)C1=N[N-]N=N1	REAL000000005645	1	45	-1.0	-45.67	368.43	0.95	-44.72
CCCC(NC(=O)C1=CC=C(CN2CCOCC2)O1)C1=NNN=N1	REAL000000005645	1	46	0.0	-10.98	371.86	0.97	-10.00
CCCC(NC(=O)C1=CN(CC2CNC(=O)O2)N=N1)C1=NN=N[N-]1	REAL000000005646	0	40	-1.0	-60.63	348.99	-2.02	-62.66
CCCC(NC(=O)C1=CN(CC2CNC(=O)O2)N=N1)C1=N[N-]N=N1	REAL000000005646	1	40	-1.0	-60.63	348.93	-2.02	-62.66
CCCC(NC(=O)C1=CN(CC2CNC(=O)O2)N=N1)C1=NNN=N1	REAL000000005646	1	41	0.0	-26.44	352.36	-2.02	-28.46
CCCC(NC(=O)C1=CC=C(OC2=CC(C)=CC=N2)C=C1)C1=NN=N[N-]1	REAL000000005647	0	45	-1.0	-48.87	382.23	4.69	-44.18
CCCC(NC(=O)C1=CC=C(OC2=CC(C)=CC=N2)C=C1)C1=N[N-]N=N1	REAL000000005647	1	45	-1.0	-48.88	382.17	4.68	-44.20
CCCC(NC(=O)C1=CC=C(OC2=CC(C)=CC=N2)C=C1)C1=NNN=N1	REAL000000005647	1	46	0.0	-13.58	385.61	4.70	-8.87
CCCC(NC(=O)C1=CSC(C2=NC=CN2)=N1)C1=NN=N[N-]1	REAL000000005648	0	35	-1.0	-53.54	323.38	1.19	-52.35
CCCC(NC(=O)C1=CSC(C2=NC=CN2)=N1)C1=N[N-]N=N1	REAL000000005648	1	35	-1.0	-53.55	323.32	1.19	-52.35
CCCC(NC(=O)C1=CSC(C2=NC=CN2)=N1)C1=NNN=N1	REAL000000005648	1	36	0.0	-15.61	326.76	1.20	-14.41
CCCC(NC(=O)CC1=CSC(SC(C)C(N)=O)=N1)C1=NN=N[N-]1	REAL000000005649	0	42	-1.0	-65.11	376.86	-0.29	-65.40
CCCC(NC(=O)CC1=CSC(SC(C)C(N)=O)=N1)C1=N[N-]N=N1	REAL000000005649	1	42	-1.0	-65.11	376.80	-0.30	-65.41
CCCC(NC(=O)CC1=CSC(SC(C)C(N)=O)=N1)C1=NNN=N1	REAL000000005649	1	43	0.0	-24.24	380.24	-0.28	-24.52
CCCC(NC(=O)C1COC(CCC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000005650	0	54	-1.0	-46.42	425.48	5.04	-41.38
CCCC(NC(=O)C1COC(CCC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000005650	1	54	-1.0	-46.41	425.43	5.05	-41.36
CCCC(NC(=O)C1COC(CCC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000005650	1	55	0.0	-12.39	428.86	5.05	-7.34
CCCC(NC(=O)[C@@H]1[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL000000005651	0	50	-1.0	-48.73	392.53	4.64	-44.08
CCCC(NC(=O)[C@@H]1[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL000000005651	1	50	-1.0	-48.72	392.47	4.65	-44.08
CCCC(NC(=O)[C@@H]1[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2)C1=NNN=N1	REAL000000005651	1	51	0.0	-20.69	398.38	4.96	-15.73
CCCC(NC(=O)C(CCOC)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000005652	0	52	-1.0	-43.79	410.24	0.97	-42.82
CCCC(NC(=O)C(CCOC)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000005652	1	52	-1.0	-43.79	410.18	0.96	-42.83
CCCC(NC(=O)C(CCOC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005652	1	53	0.0	-8.34	406.45	0.64	-7.70
CCCC(NC(=O)CCCN1C=CC(C(=O)OC)=N1)C1=NN=N[N-]1	REAL000000005673	0	44	-1.0	-56.15	378.84	3.82	-52.33
CCCC(NC(=O)CCCN1C=CC(C(=O)OC)=N1)C1=N[N-]N=N1	REAL000000005673	1	44	-1.0	-56.16	378.78	3.82	-52.34
CCCC(NC(=O)CCCN1C=CC(C(=O)OC)=N1)C1=NNN=N1	REAL000000005673	1	45	0.0	-22.91	382.21	3.82	-19.09
CCCCC1=NC(C)=C(CC(=O)NC(CCC)C2=NN=N[N-]2)S1	REAL000000005674	0	46	-1.0	-47.35	389.71	5.16	-42.19
CCCCC1=NC(C)=C(CC(=O)NC(CCC)C2=N[N-]N=N2)S1	REAL000000005674	1	46	-1.0	-47.35	389.66	5.15	-42.20
CCCCC1=NC(C)=C(CC(=O)NC(CCC)C2=NNN=N2)S1	REAL000000005674	1	47	0.0	-13.29	393.09	5.17	-8.12
CCCC(NC(=O)CC1=C(C)N=C(C2CCC2)S1)C1=NN=N[N-]1	REAL000000005675	0	44	-1.0	-47.91	373.10	4.99	-42.92
CCCC(NC(=O)CC1=C(C)N=C(C2CCC2)S1)C1=N[N-]N=N1	REAL000000005675	1	44	-1.0	-47.91	373.05	4.99	-42.92
CCCC(NC(=O)CC1=C(C)N=C(C2CCC2)S1)C1=NNN=N1	REAL000000005675	1	45	0.0	-13.17	376.49	4.99	-8.18
CCCC(NC(=O)CC1=C(C)N=C(C2=NN(C)C=C2)S1)C1=NN=N[N-]1	REAL000000005676	0	44	-1.0	-56.15	388.35	3.58	-52.56
CCCC(NC(=O)CC1=C(C)N=C(C2=NN(C)C=C2)S1)C1=N[N-]N=N1	REAL000000005676	1	44	-1.0	-56.15	388.30	3.57	-52.57
CCCC(NC(=O)CC1=C(C)N=C(C2=NN(C)C=C2)S1)C1=NNN=N1	REAL000000005676	1	45	0.0	-16.54	384.56	3.26	-13.29
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1N)C1=NN=N[N-]1	REAL000000005677	0	37	-1.0	-41.87	322.80	2.87	-39.00
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1N)C1=N[N-]N=N1	REAL000000005677	1	37	-1.0	-41.87	322.74	2.87	-39.00
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1N)C1=NNN=N1	REAL000000005677	1	38	0.0	-9.29	326.74	2.87	-6.42
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1N)C1=NN=N[N-]1	REAL000000005678	0	36	-1.0	-41.75	312.29	2.55	-39.20
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1N)C1=N[N-]N=N1	REAL000000005678	1	36	-1.0	-41.75	312.23	2.54	-39.21
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1N)C1=NNN=N1	REAL000000005678	1	37	0.0	-11.60	316.23	2.54	-9.06
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)C=C1N)C1=NN=N[N-]1	REAL000000005679	0	40	-1.0	-52.14	344.76	-0.58	-52.73
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)C=C1N)C1=N[N-]N=N1	REAL000000005679	1	40	-1.0	-52.14	344.70	-0.59	-52.73
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)C=C1N)C1=NNN=N1	REAL000000005679	1	41	0.0	-17.00	348.70	-0.59	-17.59
C=CC(=O)NC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000005680	0	40	-1.0	-54.96	342.74	3.10	-51.86
C=CC(=O)NC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000005680	1	40	-1.0	-54.96	342.68	3.09	-51.87
C=CC(=O)NC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000005680	1	41	0.0	-18.42	346.11	3.11	-15.31
CCCC(NC(=O)C1=CC=C(Br)C=C1N)C1=NN=N[N-]1	REAL000000005681	0	34	-1.0	-42.16	305.42	2.49	-39.67
CCCC(NC(=O)C1=CC=C(Br)C=C1N)C1=N[N-]N=N1	REAL000000005681	1	34	-1.0	-42.16	305.36	2.49	-39.66
CCCC(NC(=O)C1=CC=C(Br)C=C1N)C1=NNN=N1	REAL000000005681	1	35	0.0	-8.77	309.36	2.50	-6.27
CCCC(NC(=O)C1=CC=C(N2C=CC=C2)C=C1O)C1=NN=N[N-]1	REAL000000005682	0	41	-1.0	-48.99	343.88	4.97	-44.02
CCCC(NC(=O)C1=CC=C(N2C=CC=C2)C=C1O)C1=N[N-]N=N1	REAL000000005682	1	41	-1.0	-48.99	343.82	4.97	-44.02
CCCC(NC(=O)C1=CC=C(N2C=CC=C2)C=C1O)C1=NNN=N1	REAL000000005682	1	42	0.0	-13.66	347.26	4.98	-8.68
CCCC(NC(=O)C1=CC=C(I)C=C1N)C1=NN=N[N-]1	REAL000000005683	0	34	-1.0	-42.02	311.90	2.97	-39.05
CCCC(NC(=O)C1=CC=C(I)C=C1N)C1=N[N-]N=N1	REAL000000005683	1	34	-1.0	-42.01	311.85	2.96	-39.05
CCCC(NC(=O)C1=CC=C(I)C=C1N)C1=NNN=N1	REAL000000005683	1	35	0.0	-8.56	315.85	2.97	-5.59
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CC)C=C1N)C1=NN=N[N-]1	REAL000000005684	0	43	-1.0	-51.07	366.22	0.31	-50.76
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CC)C=C1N)C1=N[N-]N=N1	REAL000000005684	1	43	-1.0	-51.07	366.17	0.31	-50.76
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CC)C=C1N)C1=NNN=N1	REAL000000005684	1	44	0.0	-16.23	370.17	0.31	-15.92
CCCC(NC(=O)C1=CC=C(CN=[N+]=[N-])C=C1)C1=NN=N[N-]1	REAL000000005685	0	37	-1.0	-46.66	325.91	0.93	-45.73
CCCC(NC(=O)C1=CC=C(CN=[N+]=[N-])C=C1)C1=N[N-]N=N1	REAL000000005685	1	37	-1.0	-46.66	325.85	0.93	-45.73
CCCC(NC(=O)C1=CC=C(CN=[N+]=[N-])C=C1)C1=NNN=N1	REAL000000005685	1	38	0.0	-11.58	329.22	0.95	-10.63
CCCC(NC(=O)C1=CC=CC=C1CCC(=O)OC)C1=NN=N[N-]1	REAL000000005686	0	44	-1.0	-49.12	364.11	5.85	-43.26
CCCC(NC(=O)C1=CC=CC=C1CCC(=O)OC)C1=N[N-]N=N1	REAL000000005686	1	44	-1.0	-49.12	364.05	5.85	-43.27
CCCC(NC(=O)C1=CC=CC=C1CCC(=O)OC)C1=NNN=N1	REAL000000005686	1	45	0.0	-13.11	367.47	5.86	-7.25
CCCC(NC(=O)C1=CC=C(C2CCC(=O)N2)C=C1)C1=NN=N[N-]1	REAL000000005687	0	43	-1.0	-51.07	357.66	3.17	-47.90
CCCC(NC(=O)C1=CC=C(C2CCC(=O)N2)C=C1)C1=N[N-]N=N1	REAL000000005687	1	43	-1.0	-51.07	357.60	3.16	-47.91
CCCC(NC(=O)C1=CC=C(C2CCC(=O)N2)C=C1)C1=NNN=N1	REAL000000005687	1	44	0.0	-16.02	361.04	3.18	-12.85
CCCC(NC(=O)C1=CN=C(C(C)C)N=C1C)C1=NN=N[N-]1	REAL000000005688	0	42	-1.0	-42.57	344.11	3.51	-39.06
CCCC(NC(=O)C1=CN=C(C(C)C)N=C1C)C1=N[N-]N=N1	REAL000000005688	1	42	-1.0	-42.57	344.05	3.51	-39.06
CCCC(NC(=O)C1=CN=C(C(C)C)N=C1C)C1=NNN=N1	REAL000000005688	1	43	0.0	-10.29	347.49	3.52	-6.77
CCCC(NC(=O)CC1=CSC(SC(CC)C(N)=O)=N1)C1=NN=N[N-]1	REAL000000005689	0	45	-1.0	-57.06	394.95	0.67	-56.39
CCCC(NC(=O)CC1=CSC(SC(CC)C(N)=O)=N1)C1=N[N-]N=N1	REAL000000005689	1	45	-1.0	-57.06	394.90	0.67	-56.39
CCCC(NC(=O)CC1=CSC(SC(CC)C(N)=O)=N1)C1=NNN=N1	REAL000000005689	1	46	0.0	-19.60	396.74	0.30	-19.31
CCCC(NC(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)C1=NN=N[N-]1	REAL000000005690	0	42	-1.0	-56.95	331.47	0.94	-56.01
CCCC(NC(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)C1=N[N-]N=N1	REAL000000005690	1	42	-1.0	-56.94	331.42	0.94	-56.01
CCCC(NC(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)C1=NNN=N1	REAL000000005690	1	43	0.0	-19.79	334.87	0.95	-18.84
CCCC(NC(=O)C1=CC=C2C(=O)NC=NC2=C1)C1=NN=N[N-]1	REAL000000005691	0	37	-1.0	-52.20	320.12	2.62	-49.59
CCCC(NC(=O)C1=CC=C2C(=O)NC=NC2=C1)C1=N[N-]N=N1	REAL000000005691	1	37	-1.0	-52.20	320.07	2.61	-49.59
CCCC(NC(=O)C1=CC=C2C(=O)NC=NC2=C1)C1=NNN=N1	REAL000000005691	1	38	0.0	-17.53	323.50	2.62	-14.91
CCCC(NC(=O)CC1=CC=CC=C1N1CCCC1=O)C1=NN=N[N-]1	REAL000000005692	0	46	-1.0	-48.90	379.65	5.88	-43.02
CCCC(NC(=O)CC1=CC=CC=C1N1CCCC1=O)C1=N[N-]N=N1	REAL000000005692	1	46	-1.0	-48.89	379.59	5.87	-43.02
CCCC(NC(=O)CC1=CC=CC=C1N1CCCC1=O)C1=NNN=N1	REAL000000005692	1	47	0.0	-15.54	383.02	5.89	-9.65
CCCC(NC(=O)C1CCC2=NN=CN2CC1)C1=NN=N[N-]1	REAL000000005693	0	41	-1.0	-50.36	328.74	5.23	-45.14
CCCC(NC(=O)C1CCC2=NN=CN2CC1)C1=N[N-]N=N1	REAL000000005693	1	41	-1.0	-50.36	328.68	5.22	-45.14
CCCC(NC(=O)C1CCC2=NN=CN2CC1)C1=NNN=N1	REAL000000005693	1	42	0.0	-17.13	324.88	4.90	-12.24
CCCC(NC(=O)C1CCCN(C2=NC3=CC=CC=C3S2)C1)C1=NN=N[N-]1	REAL000000005694	0	49	-1.0	-52.45	404.93	5.53	-46.92
CCCC(NC(=O)C1CCCN(C2=NC3=CC=CC=C3S2)C1)C1=N[N-]N=N1	REAL000000005694	1	49	-1.0	-52.45	404.87	5.52	-46.92
CCCC(NC(=O)C1CCCN(C2=NC3=CC=CC=C3S2)C1)C1=NNN=N1	REAL000000005694	1	50	0.0	-10.10	401.12	5.21	-4.89
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2OC)NC1=O)C1=NN=N[N-]1	REAL000000005695	0	46	-1.0	-55.51	386.30	3.87	-51.64
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2OC)NC1=O)C1=N[N-]N=N1	REAL000000005695	1	46	-1.0	-55.53	386.22	3.88	-51.65
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2OC)NC1=O)C1=NNN=N1	REAL000000005695	1	47	0.0	-13.99	382.40	3.56	-10.42
CCCC(NC(=O)C1=CC=C(OC2=CC=C(C)C=N2)C=C1)C1=NN=N[N-]1	REAL000000005696	0	45	-1.0	-48.71	382.39	4.67	-44.03
CCCC(NC(=O)C1=CC=C(OC2=CC=C(C)C=N2)C=C1)C1=N[N-]N=N1	REAL000000005696	1	45	-1.0	-48.71	382.33	4.66	-44.05
CCCC(NC(=O)C1=CC=C(OC2=CC=C(C)C=N2)C=C1)C1=NNN=N1	REAL000000005696	1	46	0.0	-13.52	385.76	4.68	-8.83
CCCC(NC(=O)CN(C(C)=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000005697	0	42	-1.0	-51.01	344.68	4.23	-46.78
CCCC(NC(=O)CN(C(C)=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000005697	1	42	-1.0	-51.00	344.62	4.22	-46.78
CCCC(NC(=O)CN(C(C)=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000005697	1	43	0.0	-15.19	340.86	3.90	-11.29
CCCC(NC(=O)C1=CN=C(NCC)C(Cl)=C1)C1=NN=N[N-]1	REAL000000005698	0	39	-1.0	-44.79	342.02	3.22	-41.57
CCCC(NC(=O)C1=CN=C(NCC)C(Cl)=C1)C1=N[N-]N=N1	REAL000000005698	1	39	-1.0	-44.79	341.96	3.22	-41.57
CCCC(NC(=O)C1=CN=C(NCC)C(Cl)=C1)C1=NNN=N1	REAL000000005698	1	40	0.0	-10.64	345.40	3.23	-7.41
CCCC(NC(=O)C1=C(Br)C=NN1)C1=NN=N[N-]1	REAL000000005699	0	29	-1.0	-42.95	275.31	0.74	-42.21
CCCC(NC(=O)C1=C(Br)C=NN1)C1=N[N-]N=N1	REAL000000005699	1	29	-1.0	-42.95	275.25	0.74	-42.20
CCCC(NC(=O)C1=C(Br)C=NN1)C1=NNN=N1	REAL000000005699	1	30	0.0	-10.78	278.68	0.75	-10.02
CCCC(NC(=O)C1=CC=CC2=NSN=C21)C1=NN=N[N-]1	REAL000000005700	0	33	-1.0	-55.17	298.57	2.10	-53.07
CCCC(NC(=O)C1=CC=CC2=NSN=C21)C1=N[N-]N=N1	REAL000000005700	1	33	-1.0	-55.17	298.52	2.11	-53.06
CCCC(NC(=O)C1=CC=CC2=NSN=C21)C1=NNN=N1	REAL000000005700	1	34	0.0	-14.59	294.78	1.79	-12.81
CCCC(NC(=O)C1=COC2=CC(O)=CC=C12)C1=NN=N[N-]1	REAL000000005701	0	36	-1.0	-50.02	314.05	1.12	-48.89
CCCC(NC(=O)C1=COC2=CC(O)=CC=C12)C1=N[N-]N=N1	REAL000000005701	1	36	-1.0	-50.01	313.99	1.12	-48.89
CCCC(NC(=O)C1=COC2=CC(O)=CC=C12)C1=NNN=N1	REAL000000005701	1	37	0.0	-15.49	317.43	1.13	-14.36
CCCC(NC(=O)C1=C(Br)C(=O)[N-]C=N1)C1=NN=N[N-]1	REAL000000005702	0	30	-2.0	-90.26	288.86	-0.04	-90.29
CCCC(NC(=O)CC1=CSC(SCC[NH+](C)C)=N1)C1=NN=N[N-]1	REAL000000005703	0	47	0.0	-77.98	404.00	4.70	-73.28
CCCC(NC(=O)CC1=CSC(SCC[NH+](C)C)=N1)C1=N[N-]N=N1	REAL000000005703	1	47	0.0	-77.98	403.94	4.69	-73.29
CCCC(NC(=O)CC1=CSC(SCC[NH+](C)C)=N1)C1=NNN=N1	REAL000000005703	1	48	1.0	-50.50	407.38	4.71	-45.79
CCCC(NC(=O)CC1=CSC(NCCOC)=N1)C1=NN=N[N-]1	REAL000000005704	0	43	-1.0	-55.54	374.41	1.32	-54.22
CCCC(NC(=O)CC1=CSC(NCCOC)=N1)C1=N[N-]N=N1	REAL000000005704	1	43	-1.0	-55.54	374.35	1.31	-54.23
CCCC(NC(=O)CC1=CSC(NCCOC)=N1)C1=NNN=N1	REAL000000005704	1	44	0.0	-16.81	377.81	1.32	-15.48
CCCC(NC(=O)COC1=CC(Cl)=CC=C1C)C1=NN=N[N-]1	REAL000000005705	0	39	-1.0	-47.14	344.70	5.45	-41.69
CCCC(NC(=O)COC1=CC(Cl)=CC=C1C)C1=N[N-]N=N1	REAL000000005705	1	39	-1.0	-47.14	344.64	5.44	-41.70
CCCC(NC(=O)COC1=CC(Cl)=CC=C1C)C1=NNN=N1	REAL000000005705	1	40	0.0	-9.53	340.89	5.03	-4.50
CCCC(NC(=O)C1=NC(C)=CC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL000000005706	0	36	-1.0	-49.97	329.51	2.81	-47.16
CCCC(NC(=O)C1=NC(C)=CC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL000000005706	1	36	-1.0	-49.97	329.46	2.81	-47.17
CCCC(NC(=O)C1=NC(C)=CC(C(F)(F)F)=N1)C1=NNN=N1	REAL000000005706	1	37	0.0	-10.14	325.70	2.49	-7.65
CCCC(NC(=O)C1=C(C(F)F)C=CS1)C1=NN=N[N-]1	REAL000000005707	0	32	-1.0	-52.20	294.26	3.59	-48.61
CCCC(NC(=O)C1=C(C(F)F)C=CS1)C1=N[N-]N=N1	REAL000000005707	1	32	-1.0	-52.20	294.20	3.59	-48.62
CCCC(NC(=O)C1=C(C(F)F)C=CS1)C1=NNN=N1	REAL000000005707	1	33	0.0	-11.51	297.46	3.56	-7.96
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000005708	0	42	-1.0	-47.01	365.96	6.67	-40.34
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000005708	1	42	-1.0	-47.01	365.91	6.67	-40.34
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000005708	1	43	0.0	-12.44	369.00	6.67	-5.77
CCCC(NC(=O)C1=CSC(NC2CCCCC2)=N1)C1=NN=N[N-]1	REAL000000005709	0	46	-1.0	-45.58	382.62	4.17	-41.42
CCCC(NC(=O)C1=CSC(NC2CCCCC2)=N1)C1=N[N-]N=N1	REAL000000005709	1	46	-1.0	-45.59	382.56	4.16	-41.43
CCCC(NC(=O)C1=CSC(NC2CCCCC2)=N1)C1=NNN=N1	REAL000000005709	1	47	0.0	-7.09	378.81	3.84	-3.25
CCCC(NC(=O)CN1CCCCS1(=O)=O)C1=NN=N[N-]1	REAL000000005710	0	40	-1.0	-56.58	336.47	0.03	-56.55
CCCC(NC(=O)CN1CCCCS1(=O)=O)C1=N[N-]N=N1	REAL000000005710	1	40	-1.0	-56.57	336.41	0.02	-56.55
CCCC(NC(=O)CN1CCCCS1(=O)=O)C1=NNN=N1	REAL000000005710	1	41	0.0	-22.59	339.84	0.04	-22.56
CCCC(NC(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C1=NN=N[N-]1	REAL000000005711	0	36	-1.0	-45.82	329.52	3.79	-42.03
CCCC(NC(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C1=N[N-]N=N1	REAL000000005711	1	36	-1.0	-45.82	329.46	3.79	-42.03
CCCC(NC(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C1=NNN=N1	REAL000000005711	1	37	0.0	-8.95	325.70	3.47	-5.48
CCCC(NC(=O)C1=C(C)C=C2C=CC=CC2=N1)C1=NN=N[N-]1	REAL000000005712	0	40	-1.0	-48.06	333.75	4.75	-43.30
CCCC(NC(=O)C1=C(C)C=C2C=CC=CC2=N1)C1=N[N-]N=N1	REAL000000005712	1	40	-1.0	-48.06	333.69	4.75	-43.31
CCCC(NC(=O)C1=C(C)C=C2C=CC=CC2=N1)C1=NNN=N1	REAL000000005712	1	41	0.0	-10.56	337.13	4.77	-5.80
CCCC(NC(=O)C1=CC=C(OC(F)F)C(Br)=C1)C1=NN=N[N-]1	REAL000000005713	0	36	-1.0	-45.82	333.90	3.90	-41.92
CCCC(NC(=O)C1=CC=C(OC(F)F)C(Br)=C1)C1=N[N-]N=N1	REAL000000005713	1	36	-1.0	-45.82	333.84	3.90	-41.92
CCCC(NC(=O)C1=CC=C(OC(F)F)C(Br)=C1)C1=NNN=N1	REAL000000005713	1	37	0.0	-8.89	330.09	3.58	-5.30
CCCC(NC(=O)C1CCOC2=C(F)C=CC=C21)C1=NN=N[N-]1	REAL000000005714	0	40	-1.0	-45.74	332.68	4.32	-41.43
CCCC(NC(=O)C1CCOC2=C(F)C=CC=C21)C1=N[N-]N=N1	REAL000000005714	1	40	-1.0	-45.73	332.62	4.31	-41.43
CCCC(NC(=O)C1CCOC2=C(F)C=CC=C21)C1=NNN=N1	REAL000000005714	1	41	0.0	-13.32	335.91	4.33	-8.99
CCCC(NC(=O)C1CCC(S(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL000000005715	0	44	-1.0	-56.28	359.33	1.25	-55.04
CCCC(NC(=O)C1CCC(S(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL000000005715	1	44	-1.0	-56.29	359.29	1.24	-55.05
CCCC(NC(=O)C1CCC(S(C)(=O)=O)CC1)C1=NNN=N1	REAL000000005715	1	45	0.0	-21.04	362.71	1.25	-19.78
CCCC(NC(=O)C1=CC(C2=CC=CC(C(F)(F)F)=C2)=CC=N1)C1=NN=N[N-]1	REAL000000005716	0	44	-1.0	-47.02	384.88	6.37	-40.65
CCCC(NC(=O)C1=CC(C2=CC=CC(C(F)(F)F)=C2)=CC=N1)C1=N[N-]N=N1	REAL000000005716	1	44	-1.0	-47.02	384.82	6.37	-40.65
CCCC(NC(=O)C1=CC(C2=CC=CC(C(F)(F)F)=C2)=CC=N1)C1=NNN=N1	REAL000000005716	1	45	0.0	-11.21	388.25	6.38	-4.84
CCCC(NC(=O)CN1N=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL000000005717	0	37	-1.0	-55.13	322.56	3.10	-52.03
CCCC(NC(=O)CN1N=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL000000005717	1	37	-1.0	-55.14	322.50	3.09	-52.05
CCCC(NC(=O)CN1N=CC2=CC=CN=C21)C1=NNN=N1	REAL000000005717	1	38	0.0	-18.07	325.94	3.11	-14.96
CCCC(NC(=O)CN1N=C(C(F)F)C=C1C1CC1)C1=NN=N[N-]1	REAL000000005718	0	42	-1.0	-51.88	366.07	4.55	-47.33
CCCC(NC(=O)CN1N=C(C(F)F)C=C1C1CC1)C1=N[N-]N=N1	REAL000000005718	1	42	-1.0	-51.87	366.01	4.54	-47.33
CCCC(NC(=O)CN1N=C(C(F)F)C=C1C1CC1)C1=NNN=N1	REAL000000005718	1	43	0.0	-13.08	362.30	4.22	-8.86
CCCC(NC(=O)C1=CC=C(C2=CC=CC(F)=C2)S1)C1=NN=N[N-]1	REAL000000005719	0	39	-1.0	-47.15	350.89	6.39	-40.75
CCCC(NC(=O)C1=CC=C(C2=CC=CC(F)=C2)S1)C1=N[N-]N=N1	REAL000000005719	1	39	-1.0	-47.15	350.83	6.39	-40.76
CCCC(NC(=O)C1=CC=C(C2=CC=CC(F)=C2)S1)C1=NNN=N1	REAL000000005719	1	40	0.0	-11.18	354.26	6.40	-4.78
CCCC(NC(=O)C(CC)CC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL000000005720	0	47	-1.0	-44.98	372.60	6.69	-38.29
CCCC(NC(=O)C(CC)CC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL000000005720	1	47	-1.0	-44.98	372.54	6.68	-38.30
CCCC(NC(=O)C(CC)CC1=CC=CC(C)=C1)C1=NNN=N1	REAL000000005720	1	48	0.0	-6.89	360.26	6.22	-0.67
CCCC(NC(=O)C1=CC=CC(OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000005721	0	45	-1.0	-50.33	354.72	4.79	-45.54
CCCC(NC(=O)C1=CC=CC(OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000005721	1	45	-1.0	-50.33	354.66	4.78	-45.56
CCCC(NC(=O)C1=CC=CC(OC(C)(C)C)=C1)C1=NNN=N1	REAL000000005721	1	46	0.0	-13.65	358.10	4.80	-8.85
CCCC(NC(=O)CCC1=CN=C(NC(=O)OC(C)(C)C)S1)C1=NN=N[N-]1	REAL000000005722	0	51	-1.0	-49.07	429.23	4.14	-44.93
CCCC(NC(=O)CCC1=CN=C(NC(=O)OC(C)(C)C)S1)C1=N[N-]N=N1	REAL000000005722	1	51	-1.0	-49.06	429.17	4.13	-44.93
CCCC(NC(=O)CCC1=CN=C(NC(=O)OC(C)(C)C)S1)C1=NNN=N1	REAL000000005722	1	52	0.0	-16.62	432.60	4.15	-12.47
CCCC(NC(=O)C12CC(CNC(=O)OC(C)(C)C)(C1)C2)C1=NN=N[N-]1	REAL000000005723	0	53	-1.0	-48.42	423.89	3.61	-44.81
CCCC(NC(=O)C12CC(CNC(=O)OC(C)(C)C)(C1)C2)C1=N[N-]N=N1	REAL000000005723	1	53	-1.0	-48.42	423.83	3.60	-44.82
CCCC(NC(=O)C12CC(CNC(=O)OC(C)(C)C)(C1)C2)C1=NNN=N1	REAL000000005723	1	54	0.0	-13.77	427.27	3.62	-10.14
CCCC(NC(=O)C1CC(NC(=O)OC(C)(C)C)C1(C)C)C1=NN=N[N-]1	REAL000000005724	0	55	-1.0	-47.39	426.54	3.49	-43.90
CCCC(NC(=O)C1CC(NC(=O)OC(C)(C)C)C1(C)C)C1=N[N-]N=N1	REAL000000005724	1	55	-1.0	-47.39	426.48	3.50	-43.89
CCCC(NC(=O)C1CC(NC(=O)OC(C)(C)C)C1(C)C)C1=NNN=N1	REAL000000005724	1	56	0.0	-9.80	417.67	3.03	-6.78
CCCC(NC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000005725	0	55	-1.0	-49.60	421.35	4.23	-45.37
CCCC(NC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000005725	1	55	-1.0	-49.59	421.30	4.24	-45.36
CCCC(NC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000005725	1	56	0.0	-12.57	424.73	4.24	-8.33
CCCC(NC(=O)[C@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F)C1=NN=N[N-]1	REAL000000005726	0	49	-1.0	-56.11	403.20	2.63	-53.49
CCCC(NC(=O)[C@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F)C1=N[N-]N=N1	REAL000000005726	1	49	-1.0	-56.11	403.14	2.63	-53.48
CCCC(NC(=O)[C@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F)C1=NNN=N1	REAL000000005726	1	50	0.0	-17.67	406.58	2.64	-15.03
CCCC(NC(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2)C1=NN=N[N-]1	REAL000000005727	0	56	-1.0	-53.34	428.58	5.38	-47.97
CCCC(NC(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2)C1=N[N-]N=N1	REAL000000005727	1	56	-1.0	-53.34	428.52	5.38	-47.97
CCCC(NC(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2)C1=NNN=N1	REAL000000005727	1	57	0.0	-17.42	431.96	5.38	-12.04
CCCC(NC(=O)C1=CC2=CC(C)=CC=C2OC1)C1=NN=N[N-]1	REAL000000005728	0	41	-1.0	-47.50	341.62	4.83	-42.67
CCCC(NC(=O)C1=CC2=CC(C)=CC=C2OC1)C1=N[N-]N=N1	REAL000000005728	1	41	-1.0	-47.49	341.56	4.82	-42.67
CCCC(NC(=O)C1=CC2=CC(C)=CC=C2OC1)C1=NNN=N1	REAL000000005728	1	42	0.0	-11.60	344.99	4.84	-6.76
CCCC(NC(=O)C=CC1=CC=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL000000005729	0	44	-1.0	-48.99	367.51	4.09	-44.90
CCCC(NC(=O)C=CC1=CC=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL000000005729	1	44	-1.0	-48.99	367.45	4.08	-44.90
CCCC(NC(=O)C=CC1=CC=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000005729	1	45	0.0	-11.62	363.65	3.77	-7.85
CCCC(NC(=O)C=CC1=CC=C(SC(F)F)C=C1)C1=NN=N[N-]1	REAL000000005730	0	40	-1.0	-47.23	358.47	6.10	-41.14
CCCC(NC(=O)C=CC1=CC=C(SC(F)F)C=C1)C1=N[N-]N=N1	REAL000000005730	1	40	-1.0	-47.24	358.41	6.10	-41.14
CCCC(NC(=O)C=CC1=CC=C(SC(F)F)C=C1)C1=NNN=N1	REAL000000005730	1	41	0.0	-12.16	361.84	6.11	-6.05
CCCC(NC(=O)C=CC1=CC=C(I)O1)C1=NN=N[N-]1	REAL000000005731	0	33	-1.0	-44.28	319.75	4.23	-40.06
CCCC(NC(=O)C=CC1=CC=C(I)O1)C1=N[N-]N=N1	REAL000000005731	1	33	-1.0	-44.29	319.69	4.23	-40.06
CCCC(NC(=O)C=CC1=CC=C(I)O1)C1=NNN=N1	REAL000000005731	1	34	0.0	-7.11	315.92	3.91	-3.20
CCCC(NC(=O)[C@H]1CC[C@@H](CCC(=O)OC)O1)C1=NN=N[N-]1	REAL000000005732	0	45	-1.0	-54.18	372.67	4.23	-49.96
CCCC(NC(=O)[C@H]1CC[C@@H](CCC(=O)OC)O1)C1=N[N-]N=N1	REAL000000005732	1	45	-1.0	-54.18	372.62	4.23	-49.96
CCCC(NC(=O)[C@H]1CC[C@@H](CCC(=O)OC)O1)C1=NNN=N1	REAL000000005732	1	46	0.0	-17.54	376.20	4.27	-13.26
CCCC(NC(=O)C(O)C1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000005743	0	39	-1.0	-44.27	345.31	3.37	-40.90
CCCC(NC(=O)C(O)C1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000005743	1	39	-1.0	-44.27	345.25	3.37	-40.89
CCCC(NC(=O)C(O)C1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000005743	1	40	0.0	-12.70	348.68	3.38	-9.32
CCCC(NC(=O)C1CC(=O)N(OCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000005744	0	47	-1.0	-48.07	396.91	5.38	-42.69
CCCC(NC(=O)C1CC(=O)N(OCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000005744	1	47	-1.0	-48.06	396.85	5.37	-42.69
CCCC(NC(=O)C1CC(=O)N(OCC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000005744	1	48	0.0	-18.82	400.29	5.39	-13.43
CCCC(NC(=O)C1=C(Br)N(CC)N=C1)C1=NN=N[N-]1	REAL000000005745	0	35	-1.0	-45.47	318.66	2.70	-42.77
CCCC(NC(=O)C1=C(Br)N(CC)N=C1)C1=N[N-]N=N1	REAL000000005745	1	35	-1.0	-45.47	318.60	2.70	-42.77
CCCC(NC(=O)C1=C(Br)N(CC)N=C1)C1=NNN=N1	REAL000000005745	1	36	0.0	-8.45	314.85	2.38	-6.06
CCCC(NC(=O)CC1=CSC(C2CC2)=N1)C1=NN=N[N-]1	REAL000000005746	0	38	-1.0	-50.76	335.47	3.51	-47.25
CCCC(NC(=O)CC1=CSC(C2CC2)=N1)C1=N[N-]N=N1	REAL000000005746	1	38	-1.0	-50.75	335.41	3.50	-47.25
CCCC(NC(=O)CC1=CSC(C2CC2)=N1)C1=NNN=N1	REAL000000005746	1	39	0.0	-12.89	338.85	3.52	-9.37
CCCC(NC(=O)C1=C(C)N(CC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000005747	0	46	-1.0	-51.00	380.16	7.58	-43.43
CCCC(NC(=O)C1=C(C)N(CC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000005747	1	46	-1.0	-51.01	380.11	7.58	-43.43
CCCC(NC(=O)C1=C(C)N(CC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000005747	1	47	0.0	-12.56	383.54	7.59	-4.98
C=CCNS(=O)(=O)C1=CC=C(CC(=O)NC(CCC)C2=NN=N[N-]2)S1	REAL000000005748	0	44	-1.0	-53.83	401.84	1.05	-52.78
C=CCNS(=O)(=O)C1=CC=C(CC(=O)NC(CCC)C2=N[N-]N=N2)S1	REAL000000005748	1	44	-1.0	-53.82	401.78	1.04	-52.78
C=CCNS(=O)(=O)C1=CC=C(CC(=O)NC(CCC)C2=NNN=N2)S1	REAL000000005748	1	45	0.0	-15.74	398.02	0.73	-15.01
CCCC(NC(=O)CCC1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000005749	0	45	-1.0	-45.39	361.00	6.78	-38.61
CCCC(NC(=O)CCC1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000005749	1	45	-1.0	-45.39	360.94	6.78	-38.61
CCCC(NC(=O)CCC1CCC2=CC=CC=C21)C1=NNN=N1	REAL000000005749	1	46	0.0	-8.24	357.18	6.47	-1.77
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC=N1)C1=NN=N[N-]1	REAL000000005750	0	34	-1.0	-46.07	310.62	2.93	-43.14
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC=N1)C1=N[N-]N=N1	REAL000000005750	1	34	-1.0	-46.07	310.56	2.92	-43.15
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC=N1)C1=NNN=N1	REAL000000005750	1	35	0.0	-10.70	313.99	2.94	-7.77
CCCC(NC(=O)C1=CN(C2CCOCC2)N=C1C)C1=NN=N[N-]1	REAL000000005751	0	46	-1.0	-47.79	370.07	2.84	-44.95
CCCC(NC(=O)C1=CN(C2CCOCC2)N=C1C)C1=N[N-]N=N1	REAL000000005751	1	46	-1.0	-47.79	370.01	2.84	-44.94
CCCC(NC(=O)C1=CN(C2CCOCC2)N=C1C)C1=NNN=N1	REAL000000005751	1	47	0.0	-10.13	366.24	2.52	-7.61
CCCC(NC(=O)CC(C)(C)CC(F)(F)F)C1=NN=N[N-]1	REAL000000005752	0	40	-1.0	-46.13	320.49	4.01	-42.11
CCCC(NC(=O)CC(C)(C)CC(F)(F)F)C1=N[N-]N=N1	REAL000000005752	1	40	-1.0	-46.12	320.44	4.02	-42.10
CCCC(NC(=O)CC(C)(C)CC(F)(F)F)C1=NNN=N1	REAL000000005752	1	41	0.0	-11.74	323.87	4.02	-7.71
CCCC(NC(=O)C1=CC(S(=O)(=O)F)=CN1)C1=NN=N[N-]1	REAL000000005773	0	33	-1.0	-54.03	309.48	-1.43	-55.45
CCCC(NC(=O)C1=CC(S(=O)(=O)F)=CN1)C1=N[N-]N=N1	REAL000000005773	1	33	-1.0	-54.02	309.42	-1.43	-55.46
CCCC(NC(=O)C1=CC(S(=O)(=O)F)=CN1)C1=NNN=N1	REAL000000005773	1	34	0.0	-20.42	312.86	-1.41	-21.83
CCCC(NC(=O)CCCN(C)C(=O)OCC)C1=NN=N[N-]1	REAL000000005774	0	45	-1.0	-50.86	373.60	3.40	-47.46
CCCC(NC(=O)CCCN(C)C(=O)OCC)C1=N[N-]N=N1	REAL000000005774	1	45	-1.0	-50.85	373.54	3.39	-47.46
CCCC(NC(=O)CCCN(C)C(=O)OCC)C1=NNN=N1	REAL000000005774	1	46	0.0	-17.93	376.98	3.41	-14.52
CCCC(NC(=O)CC1CCC2(CCC2)CO1)C1=NN=N[N-]1	REAL000000005775	0	46	-1.0	-49.80	357.97	4.97	-44.84
CCCC(NC(=O)CC1CCC2(CCC2)CO1)C1=N[N-]N=N1	REAL000000005775	1	46	-1.0	-49.80	357.91	4.97	-44.83
CCCC(NC(=O)CC1CCC2(CCC2)CO1)C1=NNN=N1	REAL000000005775	1	47	0.0	-11.83	362.26	5.01	-6.82
CCCC(NC(=O)CC1CCC2(CCOCC2)CO1)C1=NN=N[N-]1	REAL000000005776	0	50	-1.0	-50.57	376.01	3.58	-46.99
CCCC(NC(=O)CC1CCC2(CCOCC2)CO1)C1=N[N-]N=N1	REAL000000005776	1	50	-1.0	-50.56	375.96	3.58	-46.99
CCCC(NC(=O)CC1CCC2(CCOCC2)CO1)C1=NNN=N1	REAL000000005776	1	51	0.0	-9.12	372.28	3.23	-5.89
CCCC(NC(=O)CC1=C(C)C=C(C)C(Br)=C1C)C1=NN=N[N-]1	REAL000000005777	0	44	-1.0	-45.79	369.35	6.46	-39.34
CCCC(NC(=O)CC1=C(C)C=C(C)C(Br)=C1C)C1=N[N-]N=N1	REAL000000005777	1	44	-1.0	-45.79	369.30	6.46	-39.33
CCCC(NC(=O)CC1=C(C)C=C(C)C(Br)=C1C)C1=NNN=N1	REAL000000005777	1	45	0.0	-11.69	372.73	6.46	-5.23
CCCC(NC(=O)C1=CSC=C1C(F)F)C1=NN=N[N-]1	REAL000000005778	0	32	-1.0	-45.83	294.97	3.49	-42.34
CCCC(NC(=O)C1=CSC=C1C(F)F)C1=N[N-]N=N1	REAL000000005778	1	32	-1.0	-45.83	294.92	3.50	-42.33
CCCC(NC(=O)C1=CSC=C1C(F)F)C1=NNN=N1	REAL000000005778	1	33	0.0	-15.58	296.88	3.54	-12.04
CCCC(NC(=O)CCCC1=CC=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL000000005779	0	49	-1.0	-50.81	400.62	5.14	-45.68
CCCC(NC(=O)CCCC1=CC=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL000000005779	1	49	-1.0	-50.81	400.57	5.13	-45.68
CCCC(NC(=O)CCCC1=CC=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000005779	1	50	0.0	-16.42	404.00	5.15	-11.27
CCCC(NC(=O)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F)C1=NN=N[N-]1	REAL000000005780	0	39	-1.0	-43.44	338.95	5.77	-37.67
CCCC(NC(=O)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F)C1=N[N-]N=N1	REAL000000005780	1	39	-1.0	-43.43	338.89	5.78	-37.65
CCCC(NC(=O)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F)C1=NNN=N1	REAL000000005780	1	40	0.0	-10.12	340.31	5.73	-4.38
CCCC(NC(=O)CCCC1=CC=C(OCC)C(OCC)=C1)C1=NN=N[N-]1	REAL000000005781	0	55	-1.0	-50.71	444.33	6.98	-43.74
CCCC(NC(=O)CCCC1=CC=C(OCC)C(OCC)=C1)C1=N[N-]N=N1	REAL000000005781	1	55	-1.0	-50.71	444.28	6.97	-43.74
CCCC(NC(=O)CCCC1=CC=C(OCC)C(OCC)=C1)C1=NNN=N1	REAL000000005781	1	56	0.0	-16.40	447.71	6.99	-9.41
CCCC(NC(=O)C1=CC=CC2=C1C(=O)NC=N2)C1=NN=N[N-]1	REAL000000005782	0	37	-1.0	-58.37	318.63	3.91	-54.46
CCCC(NC(=O)C1=CC=CC2=C1C(=O)NC=N2)C1=N[N-]N=N1	REAL000000005782	1	37	-1.0	-58.37	318.57	3.90	-54.47
CCCC(NC(=O)C1=CC=CC2=C1C(=O)NC=N2)C1=NNN=N1	REAL000000005782	1	38	0.0	-20.10	322.00	3.92	-16.19
CCCC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C1=NN=N[N-]1	REAL000000005783	0	47	0.0	-67.99	375.19	6.40	-61.59
CCCC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C1=N[N-]N=N1	REAL000000005783	1	47	0.0	-68.00	375.14	6.40	-61.60
CCCC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C1=NNN=N1	REAL000000005783	1	48	1.0	-41.15	371.39	6.08	-35.08
CCCC(NC(=O)C1=CNC2=CC(=O)C=CC2=C1)C1=NN=N[N-]1	REAL000000005784	0	38	-1.0	-52.70	325.49	3.44	-49.26
CCCC(NC(=O)C1=CNC2=CC(=O)C=CC2=C1)C1=N[N-]N=N1	REAL000000005784	1	38	-1.0	-52.70	325.43	3.44	-49.26
CCCC(NC(=O)C1=CNC2=CC(=O)C=CC2=C1)C1=NNN=N1	REAL000000005784	1	39	0.0	-26.68	328.87	3.44	-23.24
CCCC(NC(=O)C1=CN(C2CN(C(=O)OC(C)(C)C)C2)N=N1)C1=NN=N[N-]1	REAL000000005785	0	52	-1.0	-49.51	428.09	2.26	-47.25
CCCC(NC(=O)C1=CN(C2CN(C(=O)OC(C)(C)C)C2)N=N1)C1=N[N-]N=N1	REAL000000005785	1	52	-1.0	-49.51	428.03	2.26	-47.25
CCCC(NC(=O)C1=CN(C2CN(C(=O)OC(C)(C)C)C2)N=N1)C1=NNN=N1	REAL000000005785	1	53	0.0	-14.18	424.28	1.93	-12.25
CCCC(NC(=O)[C@@H]1CC[C@H](CN2C=CN=C2)O1)C1=NN=N[N-]1	REAL000000005786	0	43	-1.0	-57.21	358.19	5.20	-52.02
CCCC(NC(=O)[C@@H]1CC[C@H](CN2C=CN=C2)O1)C1=N[N-]N=N1	REAL000000005786	1	43	-1.0	-57.21	358.13	5.20	-52.01
CCCC(NC(=O)C1=CC=C(C2=CC=C(C=O)C=C2)C=C1)C1=NN=N[N-]1	REAL000000005787	0	44	-1.0	-52.22	371.62	6.80	-45.42
CCCC(NC(=O)C1=CC=C(C2=CC=C(C=O)C=C2)C=C1)C1=N[N-]N=N1	REAL000000005787	1	44	-1.0	-52.22	371.57	6.79	-45.43
CCCC(NC(=O)C1=CC=C(C2=CC=C(C=O)C=C2)C=C1)C1=NNN=N1	REAL000000005787	1	45	0.0	-13.66	367.80	6.48	-7.18
CCCC(NC(=O)CCCC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000005788	0	41	-1.0	-46.79	363.17	6.52	-40.28
CCCC(NC(=O)CCCC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000005788	1	41	-1.0	-46.79	363.11	6.52	-40.27
CCCC(NC(=O)CCCC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000005788	1	42	0.0	-12.34	366.55	6.53	-5.81
CCCC(NC(=O)C1=NN(C2=CC(F)=CC(F)=C2)C=C1)C1=NN=N[N-]1	REAL000000005789	0	39	-1.0	-47.43	348.55	4.95	-42.48
CCCC(NC(=O)C1=NN(C2=CC(F)=CC(F)=C2)C=C1)C1=N[N-]N=N1	REAL000000005789	1	39	-1.0	-47.43	348.49	4.95	-42.48
CCCC(NC(=O)C1=NN(C2=CC(F)=CC(F)=C2)C=C1)C1=NNN=N1	REAL000000005789	1	40	0.0	-11.21	351.93	4.96	-6.25
CCCC(NC(=O)CCCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000005790	0	44	-1.0	-45.90	363.37	6.69	-39.21
CCCC(NC(=O)CCCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000005790	1	44	-1.0	-45.89	363.31	6.69	-39.20
CCCC(NC(=O)CCCCC1=CC=CC=C1)C1=NNN=N1	REAL000000005790	1	45	0.0	-10.83	366.75	6.70	-4.13
CCCC(NC(=O)C1=NN2CCCC2=C1Br)C1=NN=N[N-]1	REAL000000005791	0	36	-1.0	-51.64	323.00	2.90	-48.74
CCCC(NC(=O)C1=NN2CCCC2=C1Br)C1=N[N-]N=N1	REAL000000005791	1	36	-1.0	-51.64	322.95	2.90	-48.74
CCCC(NC(=O)C1=NN2CCCC2=C1Br)C1=NNN=N1	REAL000000005791	1	37	0.0	-14.06	326.38	2.91	-11.15
CCCC(NC(=O)CC1=CNC2=NC=CC(Cl)=C12)C1=NN=N[N-]1	REAL000000005792	0	38	-1.0	-48.24	338.74	4.00	-44.24
CCCC(NC(=O)CC1=CNC2=NC=CC(Cl)=C12)C1=N[N-]N=N1	REAL000000005792	1	38	-1.0	-48.24	338.69	4.00	-44.23
CCCC(NC(=O)CC1=CNC2=NC=CC(Cl)=C12)C1=NNN=N1	REAL000000005792	1	39	0.0	-16.07	342.12	4.01	-12.06
CCCC(NC(=O)C1=CC(Br)=CN(C2CC2)C1=O)C1=NN=N[N-]1	REAL000000005793	0	39	-1.0	-53.72	345.91	4.75	-48.97
CCCC(NC(=O)C1=CSC(C(=O)OC)=N1)C1=NN=N[N-]1	REAL000000005794	0	34	-1.0	-48.46	318.89	1.43	-47.03
CCCC(NC(=O)C1=CSC(C(=O)OC)=N1)C1=N[N-]N=N1	REAL000000005794	1	34	-1.0	-48.46	318.83	1.42	-47.04
CCCC(NC(=O)C1=CSC(C(=O)OC)=N1)C1=NNN=N1	REAL000000005794	1	35	0.0	-11.59	315.09	1.10	-10.48
CCCC(NC(=O)CC1=COC2=C(C)C(Cl)=CC=C12)C1=NN=N[N-]1	REAL000000005795	0	41	-1.0	-47.35	362.22	5.79	-41.56
CCCC(NC(=O)CC1=COC2=C(C)C(Cl)=CC=C12)C1=N[N-]N=N1	REAL000000005795	1	41	-1.0	-47.35	362.16	5.79	-41.55
CCCC(NC(=O)CC1=COC2=C(C)C(Cl)=CC=C12)C1=NNN=N1	REAL000000005795	1	42	0.0	-14.17	365.60	5.80	-8.37
CCCC(NC(=O)C1=C(N)C([N+](=O)[O-])=C2C=CC=CC2=C1)C1=NN=N[N-]1	REAL000000005796	0	42	-1.0	-48.41	358.13	5.08	-43.33
CCCC(NC(=O)C1=C(N)C([N+](=O)[O-])=C2C=CC=CC2=C1)C1=N[N-]N=N1	REAL000000005796	1	42	-1.0	-48.41	358.07	5.07	-43.34
CCCC(NC(=O)C1=C(N)C([N+](=O)[O-])=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000005796	1	43	0.0	-16.82	362.46	5.07	-11.75
CCCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)O1)C1=N[N-]N=N1	REAL000000005797	0	45	0.0	-67.54	364.41	4.98	-62.56
CCCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)O1)C1=NN=N[N-]1	REAL000000005797	1	45	0.0	-67.55	364.46	4.99	-62.56
CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C1=NN=N[N-]1	REAL000000005798	0	53	0.0	-65.23	424.08	5.91	-59.31
CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C1=N[N-]N=N1	REAL000000005798	1	53	0.0	-65.21	424.02	5.91	-59.30
CCCC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C1=NN=N[N-]1	REAL000000005799	0	41	0.0	-67.20	328.90	3.67	-63.53
CCCC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C1=NN=N[N-]1	REAL000000005799	1	41	0.0	-61.74	325.97	3.67	-58.07
CCCC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C1=N[N-]N=N1	REAL000000005799	1	41	0.0	-67.19	328.84	3.68	-63.51
CCCC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C1=N[N-]N=N1	REAL000000005799	1	41	0.0	-61.74	325.91	3.67	-58.07
CCCC(NC(=O)C1=NC=C(Br)C=C1[O-])C1=NN=N[N-]1	REAL000000005801	0	31	-2.0	-105.22	298.18	2.07	-103.14
CCCC(NC(=O)C1=NC=C(Br)C=C1[O-])C1=N[N-]N=N1	REAL000000005801	1	31	-2.0	-105.22	298.12	2.06	-103.16
CCCC(NC(=O)C1=NC=C(Br)C=C1[O-])C1=NNN=N1	REAL000000005801	1	32	-1.0	-47.38	301.55	2.08	-45.30
CCCC(NC(=O)CC1=NC(C2CCCC2)=CS1)C1=NN=N[N-]1	REAL000000005802	0	44	-1.0	-46.61	367.58	4.53	-42.08
CCCC(NC(=O)CC1=NC(C2CCCC2)=CS1)C1=N[N-]N=N1	REAL000000005802	1	44	-1.0	-46.61	367.52	4.53	-42.08
CCCC(NC(=O)CC1=NC(C2CCCC2)=CS1)C1=NNN=N1	REAL000000005802	1	45	0.0	-13.58	370.96	4.54	-9.05
CCCC(NC(=O)CCC1=CC=CC(OCC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000005813	0	52	-1.0	-46.83	431.65	8.40	-38.43
CCCC(NC(=O)CCC1=CC=CC(OCC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000005813	1	52	-1.0	-46.83	431.59	8.39	-38.44
CCCC(NC(=O)CCC1=CC=CC(OCC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000005813	1	53	0.0	-9.94	427.84	8.08	-1.87
CCCC(NC(=O)C1=CN(C)N=C1Br)C1=NN=N[N-]1	REAL000000005814	0	32	-1.0	-50.79	298.23	1.88	-48.91
CCCC(NC(=O)C1=CN(C)N=C1Br)C1=N[N-]N=N1	REAL000000005814	1	32	-1.0	-50.79	298.18	1.87	-48.91
CCCC(NC(=O)C1=CN(C)N=C1Br)C1=NNN=N1	REAL000000005814	1	33	0.0	-16.75	301.61	1.89	-14.86
CCCC(NC(=O)C1CC2=CC=C(Br)C=C2C(=O)O1)C1=NN=N[N-]1	REAL000000005815	0	39	-1.0	-49.33	354.75	5.95	-43.38
CCCC(NC(=O)C1CC2=CC=C(Br)C=C2C(=O)O1)C1=N[N-]N=N1	REAL000000005815	1	39	-1.0	-49.33	354.69	5.95	-43.38
CCCC(NC(=O)C1CC2=CC=C(Br)C=C2C(=O)O1)C1=NNN=N1	REAL000000005815	1	40	0.0	-16.14	350.94	5.54	-10.60
CCCC(NC(=O)[C@@H](C)N1CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL000000005816	0	43	-1.0	-67.95	356.92	5.34	-62.61
CCCC(NC(=O)[C@@H](C)N1CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL000000005816	1	43	-1.0	-67.93	356.87	5.34	-62.59
CCCC(NC(=O)[C@@H](C)N1CC2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000005816	1	44	0.0	-24.32	360.30	5.35	-18.97
CCCC(NC(=O)C1=COC2=C1C(=O)NCCC2)C1=NN=N[N-]1	REAL000000005817	0	40	-1.0	-60.77	332.88	1.51	-59.25
CCCC(NC(=O)C1=COC2=C1C(=O)NCCC2)C1=N[N-]N=N1	REAL000000005817	1	40	-1.0	-60.76	332.82	1.51	-59.25
CCCC(NC(=O)C1=COC2=C1C(=O)NCCC2)C1=NNN=N1	REAL000000005817	1	41	0.0	-23.79	336.19	1.57	-22.22
CCCC(NC(=O)C1=CC=C2C(=O)NC(C)=NC2=C1)C1=NN=N[N-]1	REAL000000005818	0	40	-1.0	-50.94	341.72	2.57	-48.38
CCCC(NC(=O)C1=CC=C2C(=O)NC(C)=NC2=C1)C1=N[N-]N=N1	REAL000000005818	1	40	-1.0	-50.94	341.66	2.56	-48.38
CCCC(NC(=O)C1=CC=C2C(=O)NC(C)=NC2=C1)C1=NNN=N1	REAL000000005818	1	41	0.0	-16.40	345.09	2.58	-13.82
CCCC(NC(=O)CC1=C(C)N=C(CC(F)(F)F)S1)C1=NN=N[N-]1	REAL000000005819	0	40	-1.0	-47.05	365.71	3.96	-43.09
CCCC(NC(=O)CC1=C(C)N=C(CC(F)(F)F)S1)C1=N[N-]N=N1	REAL000000005819	1	40	-1.0	-47.06	365.66	3.96	-43.10
CCCC(NC(=O)CC1=C(C)N=C(CC(F)(F)F)S1)C1=NNN=N1	REAL000000005819	1	41	0.0	-14.27	369.09	3.97	-10.30
CCCC(NC(=O)CCC(=O)N[C@@H](C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000005820	0	48	-1.0	-45.75	397.50	4.36	-41.39
CCCC(NC(=O)CCC(=O)N[C@@H](C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000005820	1	48	-1.0	-45.74	397.45	4.36	-41.38
CCCC(NC(=O)CCC(=O)N[C@@H](C)C1=CC=CC=C1)C1=NNN=N1	REAL000000005820	1	49	0.0	-11.92	400.88	4.37	-7.55
CCCC(NC(=O)C1=CC2=C(Cl)C=NC=C2S1)C1=NN=N[N-]1	REAL000000005821	0	34	-1.0	-43.99	324.48	3.76	-40.23
CCCC(NC(=O)C1=CC2=C(Cl)C=NC=C2S1)C1=N[N-]N=N1	REAL000000005821	1	34	-1.0	-43.99	324.42	3.76	-40.22
CCCC(NC(=O)C1=CC2=C(Cl)C=NC=C2S1)C1=NNN=N1	REAL000000005821	1	35	0.0	-10.54	327.86	3.77	-6.77
CCCC(NC(=O)C1=C(C#N)C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL000000005822	0	37	-1.0	-51.09	327.53	4.00	-47.10
CCCC(NC(=O)C1=C(C#N)C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL000000005822	1	37	-1.0	-51.09	327.47	4.00	-47.09
CCCC(NC(=O)C1=C(C#N)C2=CC=CC=C2N1)C1=NNN=N1	REAL000000005822	1	38	0.0	-17.12	330.86	4.02	-13.11
CCCC(NC(=O)CCC1=CC=C(OC)N=C1)C1=NN=N[N-]1	REAL000000005833	0	41	-1.0	-46.36	347.42	1.82	-44.54
CCCC(NC(=O)CCC1=CC=C(OC)N=C1)C1=N[N-]N=N1	REAL000000005833	1	41	-1.0	-46.35	347.37	1.82	-44.53
CCCC(NC(=O)CCC1=CC=C(OC)N=C1)C1=NNN=N1	REAL000000005833	1	42	0.0	-12.20	350.80	1.83	-10.38
CCCC(NC(=O)C1=NN(C)C(NC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000005834	0	49	-1.0	-53.92	400.59	2.38	-51.54
CCCC(NC(=O)C1=NN(C)C(NC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000005834	1	49	-1.0	-53.92	400.53	2.38	-51.54
CCCC(NC(=O)C1=NN(C)C(NC(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000005834	1	50	0.0	-13.34	396.78	2.06	-11.28
CCCC(NC(=O)C(CC1CC1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000005835	0	52	-1.0	-53.87	415.91	4.09	-49.78
CCCC(NC(=O)C(CC1CC1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000005835	1	52	-1.0	-53.87	415.85	4.09	-49.78
CCCC(NC(=O)C(CC1CC1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005835	1	53	0.0	-7.37	404.88	3.12	-4.26
CCCC(NC(=O)CC1CCC2=C(C=CS2)C1=O)C1=NN=N[N-]1	REAL000000005836	0	41	-1.0	-53.30	349.34	6.20	-47.10
CCCC(NC(=O)CC1CCC2=C(C=CS2)C1=O)C1=N[N-]N=N1	REAL000000005836	1	41	-1.0	-53.30	349.28	6.21	-47.09
CCCC(NC(=O)CC1CCC2=C(C=CS2)C1=O)C1=NNN=N1	REAL000000005836	1	42	0.0	-16.64	352.72	6.21	-10.43
CCCC(NC(=O)C1=NN(CCCNC(=O)OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000005837	0	55	-1.0	-53.49	449.30	2.84	-50.66
CCCC(NC(=O)C1=NN(CCCNC(=O)OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000005837	1	55	-1.0	-53.49	449.24	2.84	-50.66
CCCC(NC(=O)C1=NN(CCCNC(=O)OC(C)(C)C)C=C1)C1=NNN=N1	REAL000000005837	1	56	0.0	-16.66	452.68	2.85	-13.81
CCCC(NC(=O)C1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]12)C1=NN=N[N-]1	REAL000000005838	0	53	-1.0	-57.10	399.97	6.53	-50.58
CCCC(NC(=O)C1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]12)C1=N[N-]N=N1	REAL000000005838	1	53	-1.0	-57.10	399.91	6.52	-50.58
CCCC(NC(=O)C1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]12)C1=NNN=N1	REAL000000005838	1	54	0.0	-11.38	417.35	5.30	-6.08
CCCC(NC(=O)CC1CC(NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000005839	0	52	-1.0	-51.40	412.82	3.17	-48.23
CCCC(NC(=O)CC1CC(NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000005839	1	52	-1.0	-51.39	412.76	3.17	-48.22
CCCC(NC(=O)CC1CC(NC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000005839	1	53	0.0	-12.95	409.10	2.85	-10.10
CCCC(NC(=O)C1CCC2=NNC=C2C1C)C1=NN=N[N-]1	REAL000000005840	0	42	-1.0	-53.99	330.08	2.59	-51.40
CCCC(NC(=O)C1CCC2=NNC=C2C1C)C1=N[N-]N=N1	REAL000000005840	1	42	-1.0	-53.99	330.02	2.59	-51.40
CCCC(NC(=O)C1CCC2=NNC=C2C1C)C1=NNN=N1	REAL000000005840	1	43	0.0	-12.39	337.55	2.95	-9.44
CCCC(NC(=O)CCC1=C(C2=CC=CC=C2)NC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000005841	0	52	-1.0	-47.56	428.52	8.53	-39.03
CCCC(NC(=O)CCC1=C(C2=CC=CC=C2)NC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000005841	1	52	-1.0	-47.56	428.46	8.52	-39.04
CCCC(NC(=O)CCC1=C(C2=CC=CC=C2)NC2=CC=CC=C21)C1=NNN=N1	REAL000000005841	1	53	0.0	-9.33	424.66	8.20	-1.13
CCCC(NC(=O)C1=CNC(=NC(=O)OC(C)(C)C)S1)C1=NN=N[N-]1	REAL000000005842	0	45	-1.0	-46.58	383.65	0.83	-45.75
CCCC(NC(=O)C1=CNC(=NC(=O)OC(C)(C)C)S1)C1=N[N-]N=N1	REAL000000005842	1	45	-1.0	-46.59	383.59	0.84	-45.75
CCCC(NC(=O)CONC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000005843	0	43	-1.0	-54.89	357.89	1.81	-53.08
CCCC(NC(=O)CONC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000005843	1	43	-1.0	-54.89	357.84	1.81	-53.08
CCCC(NC(=O)CONC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005843	1	44	0.0	-16.36	354.11	1.39	-14.96
CCCC(NC(=O)CCCCN(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000005844	0	54	-1.0	-48.36	428.39	5.27	-43.09
CCCC(NC(=O)CCCCN(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000005844	1	54	-1.0	-48.35	428.33	5.26	-43.09
CCCC(NC(=O)CCCCN(C)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005844	1	55	0.0	-12.00	424.60	4.94	-7.05
CCCC(NC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000005845	0	52	-1.0	-43.55	421.36	3.13	-40.42
CCCC(NC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000005845	1	52	-1.0	-43.55	421.30	3.13	-40.41
CCCC(NC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005845	1	53	0.0	-7.91	417.51	2.81	-5.09
CCCC(NC(=O)C1=CC=CN(CC(=O)OC(C)(C)C)C1=O)C1=NN=N[N-]1	REAL000000005846	0	50	-1.0	-64.58	407.82	6.03	-58.55
CCCC(NC(=O)C1=C2C=CC=C(OC)N2N=C1)C1=NN=N[N-]1	REAL000000005847	0	39	-1.0	-54.04	331.15	2.14	-51.90
CCCC(NC(=O)C1=C2C=CC=C(OC)N2N=C1)C1=N[N-]N=N1	REAL000000005847	1	39	-1.0	-54.03	331.09	2.14	-51.89
CCCC(NC(=O)C1=C2C=CC=C(OC)N2N=C1)C1=NNN=N1	REAL000000005847	1	40	0.0	-14.37	327.34	1.82	-12.55
CCCC(NC(=O)C1=C(C)C=C(C(=O)OC)O1)C1=NN=N[N-]1	REAL000000005848	0	38	-1.0	-42.73	333.38	3.16	-39.57
CCCC(NC(=O)C1=C(C)C=C(C(=O)OC)O1)C1=N[N-]N=N1	REAL000000005848	1	38	-1.0	-42.73	333.33	3.16	-39.57
CCCC(NC(=O)C1=C(C)C=C(C(=O)OC)O1)C1=NNN=N1	REAL000000005848	1	39	0.0	-9.67	336.77	3.18	-6.49
CCCC(NC(=O)C1CC(C2=CC=C(C)C=C2)=NO1)C1=NN=N[N-]1	REAL000000005849	0	43	-1.0	-52.64	363.81	5.63	-47.01
CCCC(NC(=O)C1CC(C2=CC=C(C)C=C2)=NO1)C1=N[N-]N=N1	REAL000000005849	1	43	-1.0	-52.64	363.75	5.62	-47.01
CCCC(NC(=O)C1CC(C2=CC=C(C)C=C2)=NO1)C1=NNN=N1	REAL000000005849	1	44	0.0	-18.70	367.19	5.64	-13.06
CCCC(NC(=O)C1CC(C2=CC(C)=CC=C2C)=NO1)C1=NN=N[N-]1	REAL000000005850	0	46	-1.0	-54.72	378.99	6.56	-48.15
CCCC(NC(=O)C1CC(C2=CC(C)=CC=C2C)=NO1)C1=N[N-]N=N1	REAL000000005850	1	46	-1.0	-54.71	378.93	6.56	-48.15
CCCC(NC(=O)C1CC(C2=CC(C)=CC=C2C)=NO1)C1=NNN=N1	REAL000000005850	1	47	0.0	-16.74	382.59	6.52	-10.23
CCCC(NC(=O)C1=NNC2=C1CC(C)CC2)C1=NN=N[N-]1	REAL000000005851	0	42	-1.0	-50.00	339.30	3.10	-46.90
CCCC(NC(=O)C1=NNC2=C1CC(C)CC2)C1=N[N-]N=N1	REAL000000005851	1	42	-1.0	-50.01	339.24	3.10	-46.91
CCCC(NC(=O)C1=NNC2=C1CC(C)CC2)C1=NNN=N1	REAL000000005851	1	43	0.0	-11.84	342.68	3.11	-8.74
CCCC(NC(=O)C1=CC=CN2N=CC(Br)=C12)C1=NN=N[N-]1	REAL000000005852	0	35	-1.0	-47.81	324.99	3.77	-44.04
CCCC(NC(=O)C1=CC=CN2N=CC(Br)=C12)C1=N[N-]N=N1	REAL000000005852	1	35	-1.0	-47.81	324.93	3.77	-44.03
CCCC(NC(=O)C1=CC=CN2N=CC(Br)=C12)C1=NNN=N1	REAL000000005852	1	36	0.0	-13.65	328.17	3.79	-9.86
CCCC(NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)OC)C1=NN=N[N-]1	REAL000000005853	0	46	-1.0	-53.28	357.87	5.50	-47.78
CCCC(NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)OC)C1=N[N-]N=N1	REAL000000005853	1	46	-1.0	-53.28	357.81	5.49	-47.78
CCCC(NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)OC)C1=NNN=N1	REAL000000005853	1	47	0.0	-9.10	350.18	5.67	-3.43
CCCC(NC(=O)C1=CC=C(CN2C=C(Cl)C=N2)S1)C1=NN=N[N-]1	REAL000000005854	0	39	-1.0	-48.50	367.77	4.95	-43.55
CCCC(NC(=O)C1=CC=C(CN2C=C(Cl)C=N2)S1)C1=N[N-]N=N1	REAL000000005854	1	39	-1.0	-48.50	367.71	4.95	-43.55
CCCC(NC(=O)C1=CC=C(CN2C=C(Cl)C=N2)S1)C1=NNN=N1	REAL000000005854	1	40	0.0	-10.98	363.94	4.63	-6.35
CCCC(NC(=O)CC1=C(C)N=C(CC)N=C1C)C1=NN=N[N-]1	REAL000000005855	0	45	-1.0	-49.63	366.94	3.90	-45.73
CCCC(NC(=O)CC1=C(C)N=C(CC)N=C1C)C1=N[N-]N=N1	REAL000000005855	1	45	-1.0	-49.63	366.88	3.90	-45.73
CCCC(NC(=O)CC1=C(C)N=C(CC)N=C1C)C1=NNN=N1	REAL000000005855	1	46	0.0	-16.12	370.31	3.91	-12.22
CCCC(NC(=O)C1=NSC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000005856	0	34	-1.0	-47.44	305.06	3.66	-43.78
CCCC(NC(=O)C1=NSC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000005856	1	34	-1.0	-47.44	305.00	3.66	-43.78
CCCC(NC(=O)C1=NSC2=CC=CC=C21)C1=NNN=N1	REAL000000005856	1	35	0.0	-10.32	308.43	3.67	-6.65
CCCC(NC(=O)C1CCCN(C(C)(C)C)C1=O)C1=NN=N[N-]1	REAL000000005857	0	48	-1.0	-46.56	364.65	4.09	-42.47
CCCC(NC(=O)C1CCCN(C(C)(C)C)C1=O)C1=N[N-]N=N1	REAL000000005857	1	48	-1.0	-46.56	364.59	4.08	-42.48
CCCC(NC(=O)C1CCCN(C(C)(C)C)C1=O)C1=NNN=N1	REAL000000005857	1	49	0.0	-9.78	360.84	3.77	-6.01
CCCC(NC(=O)COCCC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000005858	0	42	-1.0	-47.56	376.25	6.09	-41.47
CCCC(NC(=O)COCCC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000005858	1	42	-1.0	-47.56	376.19	6.08	-41.48
CCCC(NC(=O)COCCC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000005858	1	43	0.0	-10.11	372.46	5.67	-4.45
CCCC(NC(=O)CCCC1=CC=C(C2CC2)C=C1)C1=NN=N[N-]1	REAL000000005859	0	48	-1.0	-47.48	391.10	8.01	-39.47
CCCC(NC(=O)CCCC1=CC=C(C2CC2)C=C1)C1=N[N-]N=N1	REAL000000005859	1	48	-1.0	-47.48	391.04	8.00	-39.49
CCCC(NC(=O)CCCC1=CC=C(C2CC2)C=C1)C1=NNN=N1	REAL000000005859	1	49	0.0	-12.16	394.48	8.02	-4.15
CCCC(NC(=O)C1=NC(OC)=CC(OC)=N1)C1=NN=N[N-]1	REAL000000005860	0	38	-1.0	-45.13	331.82	-1.85	-46.97
CCCC(NC(=O)C1=NC(OC)=CC(OC)=N1)C1=N[N-]N=N1	REAL000000005860	1	38	-1.0	-45.13	331.77	-1.85	-46.98
CCCC(NC(=O)C1=NC(OC)=CC(OC)=N1)C1=NNN=N1	REAL000000005860	1	39	0.0	-8.33	328.07	-2.17	-10.49
CCCC(NC(=O)C1=NOC(CC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000005861	0	41	-1.0	-46.22	356.39	5.53	-40.69
CCCC(NC(=O)C1=NOC(CC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000005861	1	41	-1.0	-46.22	356.33	5.52	-40.70
CCCC(NC(=O)C1=NOC(CC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000005861	1	42	0.0	-9.04	352.58	5.21	-3.84
CCCC(NC(=O)C1=CN=C2C=C(OC)C=CC2=C1)C1=NN=N[N-]1	REAL000000005862	0	41	-1.0	-47.37	345.09	3.33	-44.04
CCCC(NC(=O)C1=CN=C2C=C(OC)C=CC2=C1)C1=N[N-]N=N1	REAL000000005862	1	41	-1.0	-47.37	345.03	3.32	-44.05
CCCC(NC(=O)C1=CN=C2C=C(OC)C=CC2=C1)C1=NNN=N1	REAL000000005862	1	42	0.0	-11.04	341.26	3.01	-8.03
CCCC(NC(=O)[C@@H](CC(C)C)N1CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL000000005863	0	52	-1.0	-55.90	415.93	7.75	-48.15
CCCC(NC(=O)[C@@H](CC(C)C)N1CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL000000005863	1	52	-1.0	-55.90	415.88	7.74	-48.16
CCCC(NC(=O)[C@@H](CC(C)C)N1CC2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000005863	1	53	0.0	-20.12	419.68	7.13	-12.99
CCCC(NC(=O)CN1C(=O)SC(C)=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000005864	0	45	-1.0	-51.10	384.00	5.66	-45.44
CCCC(NC(=O)CN1C(=O)SC(C)=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000005864	1	45	-1.0	-51.10	383.93	5.66	-45.44
CCCC(NC(=O)CN1C(=O)SC(C)=C1C1=CC=CC=C1)C1=NNN=N1	REAL000000005864	1	46	0.0	-14.93	387.37	5.67	-9.26
CCCC(NC(=O)C1=NN2CCCC(=O)C2=C1)C1=NN=N[N-]1	REAL000000005865	0	38	-1.0	-53.39	324.77	2.14	-51.25
CCCC(NC(=O)C1=NN2CCCC(=O)C2=C1)C1=N[N-]N=N1	REAL000000005865	1	38	-1.0	-53.39	324.71	2.13	-51.26
CCCC(NC(=O)C1=NN2CCCC(=O)C2=C1)C1=NNN=N1	REAL000000005865	1	39	0.0	-16.85	328.15	2.15	-14.70
CCCC(NC(=O)C1=CC=C(C(C)=O)C(C)=C1)C1=NN=N[N-]1	REAL000000005866	0	40	-1.0	-49.62	332.96	4.82	-44.80
CCCC(NC(=O)C1=CC=C(C(C)=O)C(C)=C1)C1=N[N-]N=N1	REAL000000005866	1	40	-1.0	-49.62	332.90	4.82	-44.80
CCCC(NC(=O)C1=CC=C(C(C)=O)C(C)=C1)C1=NNN=N1	REAL000000005866	1	41	0.0	-11.63	329.12	4.51	-7.12
CCCC(NC(=O)C1CC(C2=CC=CC=N2)=NO1)C1=NN=N[N-]1	REAL000000005867	0	39	-1.0	-53.76	338.65	3.21	-50.54
CCCC(NC(=O)C1CC(C2=CC=CC=N2)=NO1)C1=N[N-]N=N1	REAL000000005867	1	39	-1.0	-53.75	338.59	3.20	-50.55
CCCC(NC(=O)C1CC(C2=CC=CC=N2)=NO1)C1=NNN=N1	REAL000000005867	1	40	0.0	-17.99	342.03	3.22	-14.77
CCCC(NC(=O)CC1=C(Br)C=C(C)S1)C1=NN=N[N-]1	REAL000000005868	0	35	-1.0	-44.42	330.54	4.80	-39.62
CCCC(NC(=O)CC1=C(Br)C=C(C)S1)C1=N[N-]N=N1	REAL000000005868	1	35	-1.0	-44.42	330.49	4.80	-39.62
CCCC(NC(=O)CC1=C(Br)C=C(C)S1)C1=NNN=N1	REAL000000005868	1	36	0.0	-10.83	333.92	4.81	-6.02
CCCC(NC(=O)C1=NN(CC)C(C2CC2)=C1)C1=NN=N[N-]1	REAL000000005869	0	42	-1.0	-50.12	352.04	4.30	-45.81
CCCC(NC(=O)C1=NN(CC)C(C2CC2)=C1)C1=N[N-]N=N1	REAL000000005869	1	42	-1.0	-50.12	351.99	4.29	-45.82
CCCC(NC(=O)C1=NN(CC)C(C2CC2)=C1)C1=NNN=N1	REAL000000005869	1	43	0.0	-12.29	355.43	4.31	-7.98
CCCC(NC(=O)C1=CC(C2=CNC3=CC=CC=C23)=NN1)C1=NN=N[N-]1	REAL000000005870	0	43	-1.0	-48.02	369.75	3.68	-44.35
CCCC(NC(=O)C1=CC(C2=CNC3=CC=CC=C23)=NN1)C1=N[N-]N=N1	REAL000000005870	1	43	-1.0	-48.02	369.70	3.68	-44.34
CCCC(NC(=O)C1=CC(C2=CNC3=CC=CC=C23)=NN1)C1=NNN=N1	REAL000000005870	1	44	0.0	-12.85	365.96	3.35	-9.50
CCCC(NC(=O)COC1=CC=C(Br)C(C)=C1)C1=NN=N[N-]1	REAL000000005871	0	39	-1.0	-47.56	347.38	5.41	-42.16
CCCC(NC(=O)COC1=CC=C(Br)C(C)=C1)C1=N[N-]N=N1	REAL000000005871	1	39	-1.0	-47.56	347.32	5.41	-42.15
CCCC(NC(=O)COC1=CC=C(Br)C(C)=C1)C1=NNN=N1	REAL000000005871	1	40	0.0	-13.77	350.76	5.43	-8.35
CCCC(NC(=O)[C@H]1CCCC[C@H]1C(=O)OC)C1=NN=N[N-]1	REAL000000005872	0	44	-1.0	-51.41	343.95	4.99	-46.42
CCCC(NC(=O)[C@H]1CCCC[C@H]1C(=O)OC)C1=N[N-]N=N1	REAL000000005872	1	44	-1.0	-51.41	343.89	4.98	-46.43
CCCC(NC(=O)[C@H]1CCCC[C@H]1C(=O)OC)C1=NNN=N1	REAL000000005872	1	45	0.0	-10.82	335.64	4.42	-6.40
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC(C)CO)C=C1)C1=NN=N[N-]1	REAL000000005873	0	47	-1.0	-49.18	400.76	-1.87	-51.06
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC(C)CO)C=C1)C1=N[N-]N=N1	REAL000000005873	1	47	-1.0	-49.17	400.71	-1.87	-51.05
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC(C)CO)C=C1)C1=NNN=N1	REAL000000005873	1	48	0.0	-18.18	404.14	-1.86	-20.05
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NCC(C)O)C=C1)C1=NN=N[N-]1	REAL000000005874	0	47	-1.0	-49.65	404.31	-1.87	-51.52
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NCC(C)O)C=C1)C1=N[N-]N=N1	REAL000000005874	1	47	-1.0	-49.64	404.25	-1.87	-51.51
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NCC(C)O)C=C1)C1=NNN=N1	REAL000000005874	1	48	0.0	-18.06	407.68	-1.86	-19.92
CCCC(NC(=O)C1=CC=CC(NCC2=CN=CS2)=C1)C1=NN=N[N-]1	REAL000000005875	0	43	-1.0	-50.28	375.50	3.50	-46.78
CCCC(NC(=O)C1=CC=CC(NCC2=CN=CS2)=C1)C1=N[N-]N=N1	REAL000000005875	1	43	-1.0	-50.28	375.44	3.49	-46.79
CCCC(NC(=O)C1=CC=CC(NCC2=CN=CS2)=C1)C1=NNN=N1	REAL000000005875	1	44	0.0	-10.29	371.68	3.18	-7.11
CCCC(NC(=O)C1=CC=C(Br)C(CC)=C1)C1=NN=N[N-]1	REAL000000005876	0	38	-1.0	-44.17	333.31	5.52	-38.65
CCCC(NC(=O)C1=CC=C(Br)C(CC)=C1)C1=N[N-]N=N1	REAL000000005876	1	38	-1.0	-44.18	333.25	5.51	-38.67
CCCC(NC(=O)C1=CC=C(Br)C(CC)=C1)C1=NNN=N1	REAL000000005876	1	39	0.0	-9.91	336.69	5.54	-4.38
CCCC(NC(=O)C(F)(F)C1=NC=CC=C1Br)C1=NN=N[N-]1	REAL000000005877	0	34	-1.0	-47.19	318.87	3.77	-43.41
CCCC(NC(=O)C(F)(F)C1=NC=CC=C1Br)C1=N[N-]N=N1	REAL000000005877	1	34	-1.0	-47.19	318.81	3.77	-43.41
CCCC(NC(=O)C(=O)NC1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000005878	0	39	-1.0	-40.71	350.54	2.90	-37.81
CCCC(NC(=O)C(=O)NC1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000005878	1	39	-1.0	-40.71	350.48	2.89	-37.81
CCCC(NC(=O)C(=O)NC1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000005878	1	40	0.0	-9.00	353.92	2.91	-6.09
CCCC(NC(=O)C(F)(F)C1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL000000005879	0	39	-1.0	-44.01	338.09	3.74	-40.27
CCCC(NC(=O)C(F)(F)C1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL000000005879	1	39	-1.0	-44.01	338.03	3.73	-40.28
CCCC(NC(=O)C(F)(F)C1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000005879	1	40	0.0	-10.17	341.46	3.75	-6.42
CCCC(NC(=O)C1=CC=CN(CC(F)(F)F)C1=O)C1=NN=N[N-]1	REAL000000005880	0	38	-1.0	-58.38	335.09	4.00	-54.38
CCCC(NC(=O)C(OC)C1=CC=C(Br)S1)C1=NN=N[N-]1	REAL000000005881	0	36	-1.0	-45.32	343.92	4.26	-41.06
CCCC(NC(=O)C(OC)C1=CC=C(Br)S1)C1=N[N-]N=N1	REAL000000005881	1	36	-1.0	-45.33	343.86	4.26	-41.07
CCCC(NC(=O)C(OC)C1=CC=C(Br)S1)C1=NNN=N1	REAL000000005881	1	37	0.0	-14.13	347.30	4.27	-9.86
CCCC(NC(=O)CC1=C(C)C=C(C#N)C=C1C)C1=NN=N[N-]1	REAL000000005882	0	42	-1.0	-46.57	353.84	5.74	-40.82
CCCC(NC(=O)CC1=C(C)C=C(C#N)C=C1C)C1=N[N-]N=N1	REAL000000005882	1	42	-1.0	-46.56	353.78	5.74	-40.82
CCCC(NC(=O)CC1=C(C)C=C(C#N)C=C1C)C1=NNN=N1	REAL000000005882	1	43	0.0	-11.23	349.89	5.43	-5.80
CCCC(NC(=O)C1=C(Br)C(OC)=NS1)C1=NN=N[N-]1	REAL000000005893	0	32	-1.0	-41.58	312.43	0.16	-41.42
CCCC(NC(=O)C1=C(Br)C(OC)=NS1)C1=N[N-]N=N1	REAL000000005893	1	32	-1.0	-41.57	312.37	0.15	-41.42
CCCC(NC(=O)C1=C(Br)C(OC)=NS1)C1=NNN=N1	REAL000000005893	1	33	0.0	-9.74	315.81	0.17	-9.58
CCCC(NC(=O)C1=CC=C2NC(C(C)(C)CO)=NC2=C1)C1=NN=N[N-]1	REAL000000005894	0	48	-1.0	-53.23	391.59	1.74	-51.49
CCCC(NC(=O)C1=CC=C2NC(C(C)(C)CO)=NC2=C1)C1=N[N-]N=N1	REAL000000005894	1	48	-1.0	-53.24	391.54	1.74	-51.50
CCCC(NC(=O)C1=CC=C2NC(C(C)(C)CO)=NC2=C1)C1=NNN=N1	REAL000000005894	1	49	0.0	-17.24	394.97	1.75	-15.49
CCCC(NC(=O)CN1N=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000005895	0	37	-1.0	-57.12	322.31	2.40	-54.72
CCCC(NC(=O)CN1N=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000005895	1	37	-1.0	-57.11	322.25	2.40	-54.72
CCCC(NC(=O)CN1N=NC2=CC=CC=C21)C1=NNN=N1	REAL000000005895	1	38	0.0	-18.87	325.69	2.41	-16.46
CCCC(NC(=O)CC1=CSC(N(CC)CC(C)C)=N1)C1=NN=N[N-]1	REAL000000005896	0	51	-1.0	-51.88	416.83	5.79	-46.09
CCCC(NC(=O)CC1=CSC(N(CC)CC(C)C)=N1)C1=N[N-]N=N1	REAL000000005896	1	51	-1.0	-51.88	416.77	5.79	-46.09
CCCC(NC(=O)CC1=CSC(N(CC)CC(C)C)=N1)C1=NNN=N1	REAL000000005896	1	52	0.0	-14.05	423.37	6.18	-7.87
CCCC(NC(=O)C1=CC=CC(C2=CC=CC(C)=C2)=C1)C1=NN=N[N-]1	REAL000000005897	0	45	-1.0	-49.95	369.93	7.76	-42.19
CCCC(NC(=O)C1=CC=CC(C2=CC=CC(C)=C2)=C1)C1=N[N-]N=N1	REAL000000005897	1	45	-1.0	-49.95	369.87	7.75	-42.20
CCCC(NC(=O)C1=CC=CC(C2=CC=CC(C)=C2)=C1)C1=NNN=N1	REAL000000005897	1	46	0.0	-13.03	373.31	7.77	-5.26
CCCC(NC(=O)C1=NN(C(C)C)C=C1Br)C1=NN=N[N-]1	REAL000000005898	0	38	-1.0	-48.86	339.24	3.43	-45.44
CCCC(NC(=O)C1=NN(C(C)C)C=C1Br)C1=N[N-]N=N1	REAL000000005898	1	38	-1.0	-48.87	339.18	3.43	-45.44
CCCC(NC(=O)C1=NN(C(C)C)C=C1Br)C1=NNN=N1	REAL000000005898	1	39	0.0	-11.77	342.61	3.43	-8.34
CCCC(NC(=O)C1=CN(C)N=C1I)C1=NN=N[N-]1	REAL000000005899	0	32	-1.0	-49.35	304.11	2.30	-47.06
CCCC(NC(=O)C1=CN(C)N=C1I)C1=N[N-]N=N1	REAL000000005899	1	32	-1.0	-49.35	304.05	2.29	-47.06
CCCC(NC(=O)C1=CN(C)N=C1I)C1=NNN=N1	REAL000000005899	1	33	0.0	-15.57	307.49	2.30	-13.27
CCCC(NC(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000005900	0	55	-1.0	-50.08	427.44	3.89	-46.19
CCCC(NC(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000005900	1	55	-1.0	-50.07	427.39	3.88	-46.19
CCCC(NC(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000005900	1	56	0.0	-11.85	423.64	3.57	-8.28
CCCC(NC(=O)C1=C(C)N=C(NCC)S1)C1=NN=N[N-]1	REAL000000005901	0	39	-1.0	-46.27	337.56	2.28	-43.99
CCCC(NC(=O)C1=C(C)N=C(NCC)S1)C1=N[N-]N=N1	REAL000000005901	1	39	-1.0	-46.27	337.50	2.28	-43.99
CCCC(NC(=O)C1=C(C)N=C(NCC)S1)C1=NNN=N1	REAL000000005901	1	40	0.0	-10.76	340.94	2.29	-8.47
CCCC(NC(=O)C1=C(C)N=C(NC2CC2)S1)C1=NN=N[N-]1	REAL000000005902	0	40	-1.0	-46.03	347.77	3.21	-42.82
CCCC(NC(=O)C1=C(C)N=C(NC2CC2)S1)C1=N[N-]N=N1	REAL000000005902	1	40	-1.0	-46.03	347.71	3.21	-42.82
CCCC(NC(=O)C1=C(C)N=C(NC2CC2)S1)C1=NNN=N1	REAL000000005902	1	41	0.0	-10.54	351.15	3.22	-7.31
C=CCNC1=NC=C(C(=O)NC(CCC)C2=NN=N[N-]2)S1	REAL000000005903	0	37	-1.0	-46.31	333.30	2.20	-44.10
C=CCNC1=NC=C(C(=O)NC(CCC)C2=N[N-]N=N2)S1	REAL000000005903	1	37	-1.0	-46.31	333.25	2.20	-44.11
C=CCNC1=NC=C(C(=O)NC(CCC)C2=NNN=N2)S1	REAL000000005903	1	38	0.0	-11.03	336.68	2.22	-8.81
CCCC(NC(=O)C1=CC2=C(OC)C=CC=C2N1)C1=NN=N[N-]1	REAL000000005904	0	40	-1.0	-49.25	337.69	2.89	-46.36
CCCC(NC(=O)C1=CC2=C(OC)C=CC=C2N1)C1=N[N-]N=N1	REAL000000005904	1	40	-1.0	-49.25	337.63	2.89	-46.36
CCCC(NC(=O)C1=CC2=C(OC)C=CC=C2N1)C1=NNN=N1	REAL000000005904	1	41	0.0	-10.66	333.88	2.57	-8.09
CCCC(NC(=O)C1CC(C2=CC=CC=C2C)=NO1)C1=NN=N[N-]1	REAL000000005905	0	43	-1.0	-50.59	357.82	5.84	-44.75
CCCC(NC(=O)C1CC(C2=CC=CC=C2C)=NO1)C1=N[N-]N=N1	REAL000000005905	1	43	-1.0	-50.58	357.77	5.83	-44.75
CCCC(NC(=O)C1CC(C2=CC=CC=C2C)=NO1)C1=NNN=N1	REAL000000005905	1	44	0.0	-16.91	361.20	5.85	-11.06
CCCC(NC(=O)CC1=CC(Br)=CC=C1Cl)C1=NN=N[N-]1	REAL000000005906	0	35	-1.0	-44.15	334.50	5.37	-38.79
CCCC(NC(=O)CC1=CC(Br)=CC=C1Cl)C1=N[N-]N=N1	REAL000000005906	1	35	-1.0	-44.15	334.45	5.35	-38.80
CCCC(NC(=O)CC1=CC(Br)=CC=C1Cl)C1=NNN=N1	REAL000000005906	1	36	0.0	-10.71	337.89	5.37	-5.34
CCCC(NC(=O)CC1=C(C)C=C(C)NC1=O)C1=NN=N[N-]1	REAL000000005907	0	41	-1.0	-62.19	342.00	2.41	-59.78
CCCC(NC(=O)CC1=C(C)C=C(C)NC1=O)C1=N[N-]N=N1	REAL000000005907	1	41	-1.0	-62.19	341.94	2.40	-59.78
CCCC(NC(=O)CC1=C(C)C=C(C)NC1=O)C1=NNN=N1	REAL000000005907	1	42	0.0	-16.43	337.46	2.06	-14.37
CCCC(NC(=O)C1=CC=CC(NC(=O)NC)=C1)C1=NN=N[N-]1	REAL000000005908	0	41	-1.0	-62.96	345.58	1.17	-61.79
CCCC(NC(=O)C1=CC=CC(NC(=O)NC)=C1)C1=N[N-]N=N1	REAL000000005908	1	41	-1.0	-62.97	345.53	1.17	-61.80
CCCC(NC(=O)C1=CC=CC(NC(=O)NC)=C1)C1=NNN=N1	REAL000000005908	1	42	0.0	-22.24	348.96	1.18	-21.05
CCCC(NC(=O)C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1N)C1=NN=N[N-]1	REAL000000005909	0	36	-1.0	-39.88	335.80	3.34	-36.54
CCCC(NC(=O)C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1N)C1=N[N-]N=N1	REAL000000005909	1	36	-1.0	-39.87	335.74	3.34	-36.53
CCCC(NC(=O)C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1N)C1=NNN=N1	REAL000000005909	1	37	0.0	-11.23	340.03	3.32	-7.91
CCCC(NC(=O)C1=CC=CC(NCC2=NC(C)=CS2)=C1)C1=NN=N[N-]1	REAL000000005910	0	46	-1.0	-51.01	397.33	3.99	-47.02
CCCC(NC(=O)C1=CC=CC(NCC2=NC(C)=CS2)=C1)C1=N[N-]N=N1	REAL000000005910	1	46	-1.0	-51.01	397.27	3.99	-47.02
CCCC(NC(=O)C1=CC=CC(NCC2=NC(C)=CS2)=C1)C1=NNN=N1	REAL000000005910	1	47	0.0	-13.76	400.71	4.00	-9.76
CCCC(NC(=O)C1=CC(C2=CC=C(OC(F)(F)F)C=C2)=NN1)C1=NN=N[N-]1	REAL000000005911	0	43	-1.0	-43.43	381.74	3.46	-39.96
CCCC(NC(=O)C1=CC(C2=CC=C(OC(F)(F)F)C=C2)=NN1)C1=N[N-]N=N1	REAL000000005911	1	43	-1.0	-43.42	381.69	3.46	-39.96
CCCC(NC(=O)C1=CC(C2=CC=C(OC(F)(F)F)C=C2)=NN1)C1=NNN=N1	REAL000000005911	1	44	0.0	-11.52	385.12	3.48	-8.04
CCCC(NC(=O)C1=CSC(C(C)NC(=O)OC(C)(C)C)=N1)C1=NN=N[N-]1	REAL000000005912	0	51	-1.0	-48.23	429.13	1.98	-46.24
CCCC(NC(=O)C1=CSC(C(C)NC(=O)OC(C)(C)C)=N1)C1=N[N-]N=N1	REAL000000005912	1	51	-1.0	-48.24	429.07	1.98	-46.25
CCCC(NC(=O)C1=CSC(C(C)NC(=O)OC(C)(C)C)=N1)C1=NNN=N1	REAL000000005912	1	52	0.0	-12.24	432.51	1.99	-10.25
CCCC(NC(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000005913	0	53	-1.0	-47.44	408.19	5.28	-42.16
CCCC(NC(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000005913	1	53	-1.0	-47.44	408.13	5.28	-42.16
CCCC(NC(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000005913	1	54	0.0	-12.25	411.60	5.30	-6.95
CCCC(NC(=O)C1=CC=NC2=C1CCN2C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000005914	0	52	-1.0	-47.60	416.86	5.91	-41.69
CCCC(NC(=O)C1=CC=NC2=C1CCN2C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000005914	1	52	-1.0	-47.59	416.80	5.91	-41.68
CCCC(NC(=O)C1=CC=NC2=C1CCN2C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005914	1	53	0.0	-15.56	420.23	5.92	-9.64
CCCC(NC(=O)C1=CC=CC2=C1CCN2C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000005915	0	53	-1.0	-46.84	419.07	6.47	-40.37
CCCC(NC(=O)C1=CC=CC2=C1CCN2C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000005915	1	53	-1.0	-46.84	419.01	6.46	-40.38
CCCC(NC(=O)C1=CC=CC2=C1CCN2C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005915	1	54	0.0	-13.08	422.44	6.48	-6.59
CCCC(NC(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000005916	0	53	-1.0	-45.86	408.50	4.99	-40.87
CCCC(NC(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000005916	1	53	-1.0	-45.86	408.44	4.98	-40.88
CCCC(NC(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005916	1	54	0.0	-10.85	412.27	5.03	-5.82
CCCC(NC(=O)C1CSCN1C(=O)OCC)C1=NN=N[N-]1	REAL000000005917	0	41	-1.0	-48.66	352.11	3.32	-45.35
CCCC(NC(=O)C1CSCN1C(=O)OCC)C1=N[N-]N=N1	REAL000000005917	1	41	-1.0	-48.66	352.05	3.32	-45.35
CCCC(NC(=O)C1CSCN1C(=O)OCC)C1=NNN=N1	REAL000000005917	1	42	0.0	-11.79	346.87	2.86	-8.93
CCCC(NC(=O)CCC(=O)C1CCC(C)CC1)C1=NN=N[N-]1	REAL000000005918	0	49	-1.0	-43.42	379.51	5.87	-37.54
CCCC(NC(=O)CCC(=O)C1CCC(C)CC1)C1=N[N-]N=N1	REAL000000005918	1	49	-1.0	-43.42	379.46	5.87	-37.54
CCCC(NC(=O)CCC(=O)C1CCC(C)CC1)C1=NNN=N1	REAL000000005918	1	50	0.0	-7.51	375.72	5.56	-1.96
CCCC(NC(=O)C1=CC=C(N2CCCCCC2)C=C1)C1=NN=N[N-]1	REAL000000005919	0	50	-1.0	-46.77	378.44	5.30	-41.47
CCCC(NC(=O)C1=CC=C(N2CCCCCC2)C=C1)C1=N[N-]N=N1	REAL000000005919	1	50	-1.0	-46.77	378.38	5.29	-41.47
CCCC(NC(=O)C1=CC=C(N2CCCCCC2)C=C1)C1=NNN=N1	REAL000000005919	1	51	0.0	-9.90	387.79	5.92	-3.98
CCCC(NC(=O)C(C)SC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000005920	0	39	-1.0	-46.01	342.53	5.31	-40.70
CCCC(NC(=O)C(C)SC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000005920	1	39	-1.0	-45.99	342.47	5.31	-40.69
CCCC(NC(=O)C(C)SC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000005920	1	40	0.0	-11.22	345.87	5.33	-5.89
CCCC(NC(=O)C1=C(C(F)F)SC=C1)C1=NN=N[N-]1	REAL000000005921	0	32	-1.0	-52.75	293.48	3.64	-49.11
CCCC(NC(=O)C1=C(C(F)F)SC=C1)C1=N[N-]N=N1	REAL000000005921	1	32	-1.0	-52.75	293.42	3.63	-49.12
CCCC(NC(=O)C1=C(C(F)F)SC=C1)C1=NNN=N1	REAL000000005921	1	33	0.0	-14.54	296.78	3.66	-10.88
CCCC(NC(=O)C[C@@H]1C[C@H]1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000005922	0	45	-1.0	-46.12	372.60	7.35	-38.77
CCCC(NC(=O)C[C@@H]1C[C@H]1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000005922	1	45	-1.0	-46.12	372.54	7.35	-38.77
CCCC(NC(=O)C[C@@H]1C[C@H]1CC1=CC=CC=C1)C1=NNN=N1	REAL000000005922	1	46	0.0	-10.69	375.98	7.35	-3.34
CCCC(NC(=O)C1=CC(Br)=C2N=CC=NC2=C1)C1=NN=N[N-]1	REAL000000005933	0	36	-1.0	-48.48	330.78	2.83	-45.65
CCCC(NC(=O)C1=CC(Br)=C2N=CC=NC2=C1)C1=N[N-]N=N1	REAL000000005933	1	36	-1.0	-48.48	330.72	2.82	-45.66
CCCC(NC(=O)C1=CC(Br)=C2N=CC=NC2=C1)C1=NNN=N1	REAL000000005933	1	37	0.0	-14.05	334.16	2.84	-11.21
CCCC(NC(=O)CCCN1N=C(C)C=C1C)C1=NN=N[N-]1	REAL000000005934	0	44	-1.0	-54.02	364.55	4.19	-49.83
CCCC(NC(=O)CCCN1N=C(C)C=C1C)C1=N[N-]N=N1	REAL000000005934	1	44	-1.0	-54.01	364.50	4.18	-49.83
CCCC(NC(=O)CCCN1N=C(C)C=C1C)C1=NNN=N1	REAL000000005934	1	45	0.0	-17.78	368.79	4.22	-13.55
CCCC(NC(=O)CC1(C)CCS(=O)(=O)N1)C1=NN=N[N-]1	REAL000000005935	0	40	-1.0	-53.39	330.08	-1.46	-54.85
CCCC(NC(=O)CC1(C)CCS(=O)(=O)N1)C1=N[N-]N=N1	REAL000000005935	1	40	-1.0	-53.38	330.02	-1.47	-54.85
CCCC(NC(=O)CC1(C)CCS(=O)(=O)N1)C1=NNN=N1	REAL000000005935	1	41	0.0	-21.11	333.45	-1.46	-22.57
CCCC(NC(=O)C1=C2C=CC(Cl)=CC2=NC=C1)C1=NN=N[N-]1	REAL000000005936	0	37	-1.0	-45.23	327.24	4.51	-40.72
CCCC(NC(=O)C1=C2C=CC(Cl)=CC2=NC=C1)C1=N[N-]N=N1	REAL000000005936	1	37	-1.0	-45.23	327.18	4.51	-40.72
CCCC(NC(=O)C1=C2C=CC(Cl)=CC2=NC=C1)C1=NNN=N1	REAL000000005936	1	38	0.0	-12.28	330.62	4.52	-7.76
CCCC(NC(=O)C1=CC=C2OCCNC(=O)C2=C1)C1=NN=N[N-]1	REAL000000005937	0	41	-1.0	-57.07	342.65	0.89	-56.18
CCCC(NC(=O)C1=CC=C2OCCNC(=O)C2=C1)C1=N[N-]N=N1	REAL000000005937	1	41	-1.0	-57.07	342.59	0.88	-56.19
CCCC(NC(=O)C1=CC=C2OCCNC(=O)C2=C1)C1=NNN=N1	REAL000000005937	1	42	0.0	-20.40	346.02	0.90	-19.50
CCCC(NC(=O)CC1C(=O)NC2=C(F)C=CC=C21)C1=NN=N[N-]1	REAL000000005938	0	40	-1.0	-51.87	342.64	4.04	-47.84
CCCC(NC(=O)CC1C(=O)NC2=C(F)C=CC=C21)C1=N[N-]N=N1	REAL000000005938	1	40	-1.0	-51.87	342.58	4.04	-47.84
CCCC(NC(=O)CC1C(=O)NC2=C(F)C=CC=C21)C1=NNN=N1	REAL000000005938	1	41	0.0	-19.46	346.01	4.05	-15.42
CCCC(NC(=O)CC(C)CC1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL000000005939	0	48	-1.0	-49.92	384.03	5.61	-44.31
CCCC(NC(=O)CC(C)CC1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL000000005939	1	48	-1.0	-49.92	383.97	5.61	-44.31
CCCC(NC(=O)CC(C)CC1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000005939	1	49	0.0	-13.03	387.41	5.61	-7.42
CCCC(NC(=O)C1=CC=CC2=C1CCOC2)C1=NN=N[N-]1	REAL000000005940	0	40	-1.0	-47.58	322.50	3.74	-43.84
CCCC(NC(=O)C1=CC=CC2=C1CCOC2)C1=N[N-]N=N1	REAL000000005940	1	40	-1.0	-47.58	322.44	3.73	-43.85
CCCC(NC(=O)C1=CC=CC2=C1CCOC2)C1=NNN=N1	REAL000000005940	1	41	0.0	-11.80	325.84	3.75	-8.05
CCCC(NC(=O)CC1CCCC(C(F)(F)F)O1)C1=NN=N[N-]1	REAL000000005941	0	42	-1.0	-47.81	352.29	4.38	-43.44
CCCC(NC(=O)CC1CCCC(C(F)(F)F)O1)C1=N[N-]N=N1	REAL000000005941	1	42	-1.0	-47.81	352.23	4.38	-43.44
CCCC(NC(=O)CC1CCCC(C(F)(F)F)O1)C1=NNN=N1	REAL000000005941	1	43	0.0	-13.97	355.66	4.38	-9.59
CCCC(NC(=O)C1(OC)CS(=O)(=O)C1)C1=NN=N[N-]1	REAL000000005942	0	36	-1.0	-46.72	312.23	-2.32	-49.04
CCCC(NC(=O)C1(OC)CS(=O)(=O)C1)C1=N[N-]N=N1	REAL000000005942	1	36	-1.0	-46.71	312.17	-2.32	-49.03
CCCC(NC(=O)C1(OC)CS(=O)(=O)C1)C1=NNN=N1	REAL000000005942	1	37	0.0	-14.40	315.44	-2.30	-16.70
CCCC(NC(=O)C1=CC(F)=CC(C(=O)OC)=C1)C1=NN=N[N-]1	REAL000000005953	0	38	-1.0	-47.25	335.53	4.37	-42.88
CCCC(NC(=O)C1=CC(F)=CC(C(=O)OC)=C1)C1=N[N-]N=N1	REAL000000005953	1	38	-1.0	-47.25	335.47	4.36	-42.89
CCCC(NC(=O)C1=CC(F)=CC(C(=O)OC)=C1)C1=NNN=N1	REAL000000005953	1	39	0.0	-13.27	338.90	4.38	-8.90
C=CC1(CC(=O)NC(CCC)C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL000000005955	0	53	-1.0	-48.07	418.08	4.53	-43.53
C=CC1(CC(=O)NC(CCC)C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL000000005955	1	53	-1.0	-48.06	418.02	4.53	-43.53
C=CC1(CC(=O)NC(CCC)C2=NNN=N2)CN(C(=O)OC(C)(C)C)C1	REAL000000005955	1	54	0.0	-15.66	421.46	4.55	-11.12
CCCC(NC(=O)C1CC[NH+](CC(C)C)CC1)C1=NN=N[N-]1	REAL000000005956	0	50	0.0	-64.93	375.60	5.83	-59.10
CCCC(NC(=O)C1CC[NH+](CC(C)C)CC1)C1=N[N-]N=N1	REAL000000005956	1	50	0.0	-64.92	375.55	5.83	-59.09
CCCC(NC(=O)C1CC[NH+](CC(C)C)CC1)C1=NNN=N1	REAL000000005956	1	51	1.0	-40.20	371.81	5.51	-34.68
CCCC(NC(=O)C1CC2(C1)CS(=O)(=O)C2)C1=NN=N[N-]1	REAL000000005957	0	39	-1.0	-50.37	333.38	0.38	-49.98
CCCC(NC(=O)C1CC2(C1)CS(=O)(=O)C2)C1=N[N-]N=N1	REAL000000005957	1	39	-1.0	-50.36	333.32	0.39	-49.98
CCCC(NC(=O)C1CC2(C1)CS(=O)(=O)C2)C1=NNN=N1	REAL000000005957	1	40	0.0	-17.46	336.75	0.39	-17.07
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=C(Cl)O1)C1=NN=N[N-]1	REAL000000005958	0	34	-1.0	-45.60	331.26	-2.85	-48.45
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=C(Cl)O1)C1=N[N-]N=N1	REAL000000005958	1	34	-1.0	-45.60	331.21	-2.86	-48.45
CCCC(NC(=O)C1=CN(C(F)(F)CO)N=N1)C1=NN=N[N-]1	REAL000000005959	0	35	-1.0	-46.73	318.96	-2.33	-49.05
CCCC(NC(=O)C1=CN(C(F)(F)CO)N=N1)C1=N[N-]N=N1	REAL000000005959	1	35	-1.0	-46.73	318.90	-2.34	-49.07
CCCC(NC(=O)C1=CN(C(F)(F)CO)N=N1)C1=NNN=N1	REAL000000005959	1	36	0.0	-10.34	315.16	-2.65	-12.99
CCCC(NC(=O)C1=C(OC)SN=C1OC)C1=NN=N[N-]1	REAL000000005960	0	36	-1.0	-49.04	327.46	-1.15	-50.18
CCCC(NC(=O)C1=C(OC)SN=C1OC)C1=N[N-]N=N1	REAL000000005960	1	36	-1.0	-49.04	327.40	-1.15	-50.19
CCCC(NC(=O)C1=C(OC)SN=C1OC)C1=NNN=N1	REAL000000005960	1	37	0.0	-13.75	330.84	-1.14	-14.89
CCCC(NC(=O)C1=CN=C2C(=C1)C(C(F)(F)F)=NN2C)C1=NN=N[N-]1	REAL000000005961	0	40	-1.0	-45.01	358.35	3.70	-41.30
CCCC(NC(=O)C1=CN=C2C(=C1)C(C(F)(F)F)=NN2C)C1=N[N-]N=N1	REAL000000005961	1	40	-1.0	-45.00	358.29	3.70	-41.29
CCCC(NC(=O)C1=CN=C2C(=C1)C(C(F)(F)F)=NN2C)C1=NNN=N1	REAL000000005961	1	41	0.0	-12.92	363.62	3.79	-9.12
CCCC(NC(=O)C(C)OC1=C(Cl)C=C(C=O)C=C1OC)C1=NN=N[N-]1	REAL000000005962	0	45	-1.0	-54.31	393.23	4.84	-49.46
CCCC(NC(=O)C(C)OC1=C(Cl)C=C(C=O)C=C1OC)C1=N[N-]N=N1	REAL000000005962	1	45	-1.0	-54.30	393.18	4.84	-49.47
CCCC(NC(=O)C(C)OC1=C(Cl)C=C(C=O)C=C1OC)C1=NNN=N1	REAL000000005962	1	46	0.0	-14.98	388.55	4.47	-10.52
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC=C2Cl)S1)C1=NN=N[N-]1	REAL000000005963	0	43	-1.0	-46.84	394.07	8.13	-38.72
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC=C2Cl)S1)C1=N[N-]N=N1	REAL000000005963	1	43	-1.0	-46.84	394.02	8.12	-38.72
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC=C2Cl)S1)C1=NNN=N1	REAL000000005963	1	44	0.0	-8.53	390.19	7.81	-0.72
CCCC(NC(=O)CC1=C(C)N=C(CS(C)(=O)=O)S1)C1=NN=N[N-]1	REAL000000005964	0	43	-1.0	-58.58	388.84	0.34	-58.24
CCCC(NC(=O)CC1=C(C)N=C(CS(C)(=O)=O)S1)C1=N[N-]N=N1	REAL000000005964	1	43	-1.0	-58.59	388.79	0.34	-58.24
CCCC(NC(=O)CC1=C(C)N=C(CS(C)(=O)=O)S1)C1=NNN=N1	REAL000000005964	1	44	0.0	-21.68	385.03	0.03	-21.66
CCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=NN=N[N-]1	REAL000000005965	0	32	-2.0	-103.21	312.37	4.23	-98.98
CCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=N[N-]N=N1	REAL000000005965	1	32	-2.0	-103.22	312.31	4.23	-98.99
CCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=NNN=N1	REAL000000005965	1	33	-1.0	-42.98	308.55	3.80	-39.18
CCCC(NC(=O)C1=CC(C)=CC(C=O)=C1O)C1=NN=N[N-]1	REAL000000005966	0	38	-1.0	-56.97	325.65	3.60	-53.36
CCCC(NC(=O)CC1=CC=CC2=NSN=C21)C1=NN=N[N-]1	REAL000000005967	0	36	-1.0	-47.89	323.25	2.63	-45.26
CCCC(NC(=O)CC1=CC=CC2=NSN=C21)C1=N[N-]N=N1	REAL000000005967	1	36	-1.0	-47.88	323.20	2.63	-45.25
CCCC(NC(=O)CC1=CC=CC2=NSN=C21)C1=NNN=N1	REAL000000005967	1	37	0.0	-14.78	326.63	2.64	-12.14
CCCC(NC(=O)C1=C(I)C(C)=NN1)C1=NN=N[N-]1	REAL000000005968	0	32	-1.0	-42.32	302.36	1.78	-40.53
CCCC(NC(=O)C1=C(I)C(C)=NN1)C1=N[N-]N=N1	REAL000000005968	1	32	-1.0	-42.32	302.30	1.78	-40.54
CCCC(NC(=O)C1=C(I)C(C)=NN1)C1=NNN=N1	REAL000000005968	1	33	0.0	-10.25	305.71	1.79	-8.46
CCCC(NC(=O)C1=CN(C)S(=O)(=O)N=C1C)C1=NN=N[N-]1	REAL000000005969	0	38	-1.0	-48.56	327.38	-0.68	-49.24
CCCC(NC(=O)C1=CN(C)S(=O)(=O)N=C1C)C1=N[N-]N=N1	REAL000000005969	1	38	-1.0	-48.55	327.33	-0.68	-49.23
CCCC(NC(=O)C1=CN(C)S(=O)(=O)N=C1C)C1=NNN=N1	REAL000000005969	1	39	0.0	-19.27	331.10	-1.39	-20.66
CCCC(NC(=O)C1=C2C=CNC2=CC=C1OC)C1=NN=N[N-]1	REAL000000005970	0	40	-1.0	-57.72	338.51	2.85	-54.88
CCCC(NC(=O)C1=C2C=CNC2=CC=C1OC)C1=N[N-]N=N1	REAL000000005970	1	40	-1.0	-57.73	338.45	2.85	-54.88
CCCC(NC(=O)C1=C2C=CNC2=CC=C1OC)C1=NNN=N1	REAL000000005970	1	41	0.0	-16.54	341.89	2.86	-13.69
CCCC(NC(=O)C1=CC=C(N(C)C)C(C=O)=C1)C1=NN=N[N-]1	REAL000000005971	0	42	-1.0	-46.13	349.54	4.03	-42.10
CCCC(NC(=O)C1=CC=C(N(C)C)C(C=O)=C1)C1=N[N-]N=N1	REAL000000005971	1	42	-1.0	-46.13	349.48	4.03	-42.10
CCCC(NC(=O)C1=CC=C(N(C)C)C(C=O)=C1)C1=NNN=N1	REAL000000005971	1	43	0.0	-13.30	353.08	4.05	-9.25
CCCC(NC(=O)C1=C2N(CCN(C)S2(=O)=O)N=C1)C1=NN=N[N-]1	REAL000000005972	0	41	-1.0	-63.24	353.62	-1.15	-64.39
CCCC(NC(=O)C1=C2N(CCN(C)S2(=O)=O)N=C1)C1=N[N-]N=N1	REAL000000005972	1	41	-1.0	-63.25	353.56	-1.16	-64.41
CCCC(NC(=O)C1=C2N(CCN(C)S2(=O)=O)N=C1)C1=NNN=N1	REAL000000005972	1	42	0.0	-24.37	356.93	-1.11	-25.48
CCCC(NC(=O)C1CCC2CC(C)C[N@@H+]2C1)C1=NN=N[N-]1	REAL000000005973	0	48	0.0	-50.08	356.87	5.60	-44.48
CCCC(NC(=O)C1CCC2CC(C)C[N@H+]2C1)C1=NN=N[N-]1	REAL000000005973	1	48	0.0	-57.17	362.55	5.44	-51.72
CCCC(NC(=O)C1CCC2CC(C)C[N@@H+]2C1)C1=N[N-]N=N1	REAL000000005973	1	48	0.0	-50.07	356.82	5.60	-44.47
CCCC(NC(=O)C1CCC2CC(C)C[N@H+]2C1)C1=N[N-]N=N1	REAL000000005973	1	48	0.0	-57.16	362.49	5.44	-51.72
CCCC(NC(=O)C1CCC2CC(C)C[N@@H+]2C1)C1=NNN=N1	REAL000000005973	1	49	1.0	-33.41	360.21	5.61	-27.81
CCCC(NC(=O)C1CCC2CC(C)C[N@H+]2C1)C1=NNN=N1	REAL000000005973	1	49	1.0	-37.68	366.01	5.40	-32.28
CCCC(NC(=O)C1=CN2C=CNC(=O)C2=N1)C1=NN=N[N-]1	REAL000000005974	0	35	-1.0	-57.91	310.18	1.13	-56.78
CCCC(NC(=O)C1=CN2C=CNC(=O)C2=N1)C1=N[N-]N=N1	REAL000000005974	1	35	-1.0	-57.90	310.13	1.12	-56.79
CCCC(NC(=O)C1=CN2C=CNC(=O)C2=N1)C1=NNN=N1	REAL000000005974	1	36	0.0	-20.63	313.56	1.14	-19.49
CCCC(NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=NN=N[N-]1	REAL000000005975	0	48	0.0	-58.92	344.95	4.85	-54.07
CCCC(NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=NN=N[N-]1	REAL000000005975	1	48	0.0	-53.85	349.29	5.54	-48.32
CCCC(NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=N[N-]N=N1	REAL000000005975	1	48	0.0	-58.91	344.89	4.85	-54.06
CCCC(NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=N[N-]N=N1	REAL000000005975	1	48	0.0	-53.84	349.23	5.53	-48.31
CCCC(NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=NNN=N1	REAL000000005975	1	49	1.0	-40.76	348.32	4.87	-35.89
CCCC(NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=NNN=N1	REAL000000005975	1	49	1.0	-31.80	345.47	5.21	-26.59
CCCC(NC(=O)C1=CC(NC(=O)OCC)=CC=C1F)C1=NN=N[N-]1	REAL000000005976	0	43	-1.0	-56.21	367.96	2.89	-53.32
CCCC(NC(=O)C1=CC(NC(=O)OCC)=CC=C1F)C1=N[N-]N=N1	REAL000000005976	1	43	-1.0	-56.21	367.91	2.89	-53.32
CCCC(NC(=O)C1=CC(NC(=O)OCC)=CC=C1F)C1=NNN=N1	REAL000000005976	1	44	0.0	-13.26	364.16	2.56	-10.70
CCCC(NC(=O)C1CCC(=O)N(C2=CN(C)N=C2)C1)C1=NN=N[N-]1	REAL000000005977	0	46	-1.0	-49.35	371.91	2.97	-46.39
CCCC(NC(=O)C1CCC(=O)N(C2=CN(C)N=C2)C1)C1=N[N-]N=N1	REAL000000005977	1	46	-1.0	-49.34	371.85	2.96	-46.39
CCCC(NC(=O)C1CCC(=O)N(C2=CN(C)N=C2)C1)C1=NNN=N1	REAL000000005977	1	47	0.0	-18.69	375.78	2.97	-15.71
CCCC(NC(=O)C1=CC=C(NC(=O)OCC)C=C1Cl)C1=NN=N[N-]1	REAL000000005978	0	43	-1.0	-52.12	375.80	3.34	-48.78
CCCC(NC(=O)C1=CC=C(NC(=O)OCC)C=C1Cl)C1=N[N-]N=N1	REAL000000005978	1	43	-1.0	-52.10	375.75	3.34	-48.77
CCCC(NC(=O)C1=CC=C(NC(=O)OCC)C=C1Cl)C1=NNN=N1	REAL000000005978	1	44	0.0	-17.77	379.18	3.35	-14.42
CCCC(NC(=O)C1=CC=C(NC(=O)OC)C=C1Cl)C1=NN=N[N-]1	REAL000000005979	0	40	-1.0	-52.49	353.94	2.41	-50.09
CCCC(NC(=O)C1=CC=C(NC(=O)OC)C=C1Cl)C1=N[N-]N=N1	REAL000000005979	1	40	-1.0	-52.50	353.88	2.41	-50.09
CCCC(NC(=O)C1=CC=C(NC(=O)OC)C=C1Cl)C1=NNN=N1	REAL000000005979	1	41	0.0	-14.10	350.13	2.09	-12.01
CCCC(NC(=O)C1=CC=C(NC(C)=O)C(Cl)=C1)C1=NN=N[N-]1	REAL000000005980	0	39	-1.0	-48.63	344.08	3.18	-45.45
CCCC(NC(=O)C1=CC=C(NC(C)=O)C(Cl)=C1)C1=N[N-]N=N1	REAL000000005980	1	39	-1.0	-48.63	344.02	3.17	-45.46
CCCC(NC(=O)C1=CC=C(NC(C)=O)C(Cl)=C1)C1=NNN=N1	REAL000000005980	1	40	0.0	-14.31	347.73	3.18	-11.13
CCCC(NC(=O)CC1CC(=O)NC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000005981	0	43	-1.0	-46.57	352.75	3.29	-43.28
CCCC(NC(=O)CC1CC(=O)NC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000005981	1	43	-1.0	-46.57	352.69	3.29	-43.28
CCCC(NC(=O)CC1CC(=O)NC2=CC=CC=C21)C1=NNN=N1	REAL000000005981	1	44	0.0	-14.63	356.12	3.30	-11.33
CCCC(NC(=O)C1=CC=C(F)C(NC(=O)OC)=C1)C1=NN=N[N-]1	REAL000000005982	0	40	-1.0	-53.45	347.17	2.01	-51.44
CCCC(NC(=O)C1=CC=C(F)C(NC(=O)OC)=C1)C1=N[N-]N=N1	REAL000000005982	1	40	-1.0	-53.45	347.11	2.00	-51.45
CCCC(NC(=O)C1=CC=C(F)C(NC(=O)OC)=C1)C1=NNN=N1	REAL000000005982	1	41	0.0	-16.91	350.55	2.02	-14.89
CCCC(NC(=O)C1=NC(Br)=C2C=CC=CN12)C1=NN=N[N-]1	REAL000000005993	0	35	-1.0	-49.18	323.40	4.63	-44.55
CCCC(NC(=O)C1=NC(Br)=C2C=CC=CN12)C1=N[N-]N=N1	REAL000000005993	1	35	-1.0	-49.17	323.34	4.62	-44.55
CCCC(NC(=O)C1=NC(Br)=C2C=CC=CN12)C1=NNN=N1	REAL000000005993	1	36	0.0	-12.45	326.77	4.64	-7.81
CCCC(NC(=O)C1=C2C=C(C)C=CC2=NC(C2=CC=CS2)=C1)C1=NN=N[N-]1	REAL000000005994	0	47	-1.0	-47.97	402.02	7.42	-40.55
CCCC(NC(=O)C1=C2C=C(C)C=CC2=NC(C2=CC=CS2)=C1)C1=N[N-]N=N1	REAL000000005994	1	47	-1.0	-47.97	401.96	7.41	-40.56
CCCC(NC(=O)C1=C2C=C(C)C=CC2=NC(C2=CC=CS2)=C1)C1=NNN=N1	REAL000000005994	1	48	0.0	-12.27	405.40	7.42	-4.85
CCCC(NC(=O)CN1N=C(C(F)(F)F)C2=C1CCOC2)C1=NN=N[N-]1	REAL000000005995	0	43	-1.0	-55.33	374.57	2.64	-52.69
CCCC(NC(=O)CN1N=C(C(F)(F)F)C2=C1CCOC2)C1=N[N-]N=N1	REAL000000005995	1	43	-1.0	-55.31	374.51	2.64	-52.68
CCCC(NC(=O)CN1N=C(C(F)(F)F)C2=C1CCOC2)C1=NNN=N1	REAL000000005995	1	44	0.0	-19.79	377.94	2.65	-17.14
CCCC(NC(=O)C1=C2N[C@H](C)C[C@H](C(F)F)N2N=C1)C1=NN=N[N-]1	REAL000000005996	0	44	-1.0	-52.21	365.33	2.97	-49.24
CCCC(NC(=O)C1=C2N[C@H](C)C[C@H](C(F)F)N2N=C1)C1=N[N-]N=N1	REAL000000005996	1	44	-1.0	-52.21	365.27	2.97	-49.24
CCCC(NC(=O)C1=C2N[C@H](C)C[C@H](C(F)F)N2N=C1)C1=NNN=N1	REAL000000005996	1	45	0.0	-14.27	362.76	2.64	-11.63
CCCC(NC(=O)C1=CC2=C(CCC(CC)C2)NC1=O)C1=NN=N[N-]1	REAL000000005997	0	48	-1.0	-55.62	379.02	4.55	-51.07
CCCC(NC(=O)C1=CC2=C(CCC(CC)C2)NC1=O)C1=N[N-]N=N1	REAL000000005997	1	48	-1.0	-55.63	378.97	4.54	-51.09
CCCC(NC(=O)C1=CC2=C(CCC(CC)C2)NC1=O)C1=NNN=N1	REAL000000005997	1	49	0.0	-14.33	382.40	4.56	-9.77
CCCC(NC(=O)C1=CC(S(=O)(=O)CC)=CNC1=O)C1=NN=N[N-]1	REAL000000005998	0	41	-1.0	-58.76	359.18	-0.75	-59.51
CCCC(NC(=O)C1=CC(S(=O)(=O)CC)=CNC1=O)C1=N[N-]N=N1	REAL000000005998	1	41	-1.0	-58.76	359.12	-0.76	-59.52
CCCC(NC(=O)C1=CC(S(=O)(=O)CC)=CNC1=O)C1=NNN=N1	REAL000000005998	1	42	0.0	-19.36	354.98	-1.05	-20.42
CCCC(NC(=O)C1=CC=C(Br)NC1=O)C1=NN=N[N-]1	REAL000000005999	0	32	-1.0	-50.91	297.93	1.35	-49.55
CCCC(NC(=O)C1=CC=C(Br)NC1=O)C1=N[N-]N=N1	REAL000000005999	1	32	-1.0	-50.91	297.87	1.34	-49.57
CCCC(NC(=O)C1=CC=C(Br)NC1=O)C1=NNN=N1	REAL000000005999	1	33	0.0	-11.69	301.16	1.37	-10.33
CCCC(NC(=O)C1=CC=C(C2CC2)NC1=O)C1=NN=N[N-]1	REAL000000006000	0	39	-1.0	-55.63	326.24	3.11	-52.52
CCCC(NC(=O)C1=CC=C(C2CC2)NC1=O)C1=N[N-]N=N1	REAL000000006000	1	39	-1.0	-55.64	326.18	3.10	-52.53
CCCC(NC(=O)C1=CC=C(C2CC2)NC1=O)C1=NNN=N1	REAL000000006000	1	40	0.0	-13.21	322.03	2.80	-10.41
CCCC(NC(=O)C1=CC=C(C2=CC=C(C=O)S2)C=C1)C1=NN=N[N-]1	REAL000000006001	0	41	-1.0	-48.67	365.12	6.11	-42.57
CCCC(NC(=O)C1=CC=C(C2=CC=C(C=O)S2)C=C1)C1=N[N-]N=N1	REAL000000006001	1	41	-1.0	-48.66	365.06	6.10	-42.56
CCCC(NC(=O)C1=CC=C(C2=CC=C(C=O)S2)C=C1)C1=NNN=N1	REAL000000006001	1	42	0.0	-11.35	361.32	5.78	-5.57
CCCC(NC(=O)C1=CC2=C(Br)C=CC(C)=C2N1)C1=NN=N[N-]1	REAL000000006002	0	39	-1.0	-46.71	350.31	4.84	-41.88
CCCC(NC(=O)C1=CC2=C(Br)C=CC(C)=C2N1)C1=N[N-]N=N1	REAL000000006002	1	39	-1.0	-46.71	350.25	4.83	-41.89
CCCC(NC(=O)C1=CC2=C(Br)C=CC(C)=C2N1)C1=NNN=N1	REAL000000006002	1	40	0.0	-9.21	346.51	4.51	-4.69
CCCC(NC(=O)C1=CC2=CC(C(C)(C)C)=CC=C2N1)C1=NN=N[N-]1	REAL000000006003	0	48	-1.0	-45.70	384.03	5.91	-39.79
CCCC(NC(=O)C1=CC2=CC(C(C)(C)C)=CC=C2N1)C1=N[N-]N=N1	REAL000000006003	1	48	-1.0	-45.69	383.97	5.90	-39.80
CCCC(NC(=O)C1=CC2=CC(C(C)(C)C)=CC=C2N1)C1=NNN=N1	REAL000000006003	1	49	0.0	-11.04	387.41	5.92	-5.13
CCCC(NC(=O)C1=CC2=C(Br)C(C)=CC=C2N1)C1=NN=N[N-]1	REAL000000006004	0	39	-1.0	-47.34	347.16	4.74	-42.59
CCCC(NC(=O)C1=CC2=C(Br)C(C)=CC=C2N1)C1=N[N-]N=N1	REAL000000006004	1	39	-1.0	-47.34	347.10	4.75	-42.59
CCCC(NC(=O)C1=CC2=C(Br)C(C)=CC=C2N1)C1=NNN=N1	REAL000000006004	1	40	0.0	-13.01	350.53	4.75	-8.25
CCCC(NC(=O)CC1=CNC2=CN=C(Cl)C=C12)C1=NN=N[N-]1	REAL000000006005	0	38	-1.0	-48.35	342.47	3.05	-45.30
CCCC(NC(=O)CC1=CNC2=CN=C(Cl)C=C12)C1=N[N-]N=N1	REAL000000006005	1	38	-1.0	-48.35	342.42	3.04	-45.31
CCCC(NC(=O)CC1=CNC2=CN=C(Cl)C=C12)C1=NNN=N1	REAL000000006005	1	39	0.0	-14.43	338.68	2.72	-11.70
CCCC(NC(=O)C1=CC2=C(C)C=CC(F)=C2O1)C1=NN=N[N-]1	REAL000000006006	0	38	-1.0	-46.46	332.97	4.75	-41.71
CCCC(NC(=O)C1=CC2=C(C)C=CC(F)=C2O1)C1=N[N-]N=N1	REAL000000006006	1	38	-1.0	-46.46	332.91	4.75	-41.71
CCCC(NC(=O)C1=CC2=C(C)C=CC(F)=C2O1)C1=NNN=N1	REAL000000006006	1	39	0.0	-9.30	329.17	4.42	-4.88
CCCC(NC(=O)CCSCCCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006007	0	55	-1.0	-47.90	453.18	4.04	-43.86
CCCC(NC(=O)CCSCCCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006007	1	55	-1.0	-47.89	453.12	4.05	-43.85
CCCC(NC(=O)CCSCCCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006007	1	56	0.0	-13.74	456.56	4.05	-9.68
CCCC(NC(=O)C[C@H](CCSC)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006008	0	55	-1.0	-51.15	443.40	4.15	-47.01
CCCC(NC(=O)C[C@H](CCSC)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006008	1	55	-1.0	-51.15	443.34	4.14	-47.01
CCCC(NC(=O)C[C@H](CCSC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006008	1	56	0.0	-15.06	446.78	4.16	-10.90
CCCC(NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000006009	0	55	-1.0	-46.32	425.79	3.72	-42.60
CCCC(NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000006009	1	55	-1.0	-46.32	425.73	3.71	-42.60
CCCC(NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006009	1	56	0.0	-12.94	429.17	3.72	-9.22
CCCC(NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C1=NN=N[N-]1	REAL000000006010	0	55	-1.0	-47.49	417.39	5.02	-42.47
CCCC(NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C1=N[N-]N=N1	REAL000000006010	1	55	-1.0	-47.49	417.33	5.02	-42.47
CCCC(NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C1=NNN=N1	REAL000000006010	1	56	0.0	-11.06	413.63	4.71	-6.35
CCCC(NC(=O)[C@@H]1CC[C@H](C(F)(F)F)O1)C1=NN=N[N-]1	REAL000000006011	0	36	-1.0	-51.21	314.61	3.02	-48.18
CCCC(NC(=O)[C@@H]1CC[C@H](C(F)(F)F)O1)C1=N[N-]N=N1	REAL000000006011	1	36	-1.0	-51.20	314.55	3.01	-48.19
CCCC(NC(=O)[C@@H]1CC[C@H](C(F)(F)F)O1)C1=NNN=N1	REAL000000006011	1	37	0.0	-16.51	317.98	3.03	-13.48
CCCC(NC(=O)C1=C2C=CC(C)=C(C)N2N=C1)C1=NN=N[N-]1	REAL000000006012	0	41	-1.0	-52.33	340.85	4.53	-47.80
CCCC(NC(=O)C1=C2C=CC(C)=C(C)N2N=C1)C1=N[N-]N=N1	REAL000000006012	1	41	-1.0	-52.33	340.79	4.53	-47.79
CCCC(NC(=O)C1=C2C=CC(C)=C(C)N2N=C1)C1=NNN=N1	REAL000000006012	1	42	0.0	-11.80	336.77	4.19	-7.61
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000006013	0	53	-1.0	-50.42	418.82	6.50	-43.92
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000006013	1	53	-1.0	-50.42	418.76	6.49	-43.93
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)C2=CC=CC=C21)C1=NNN=N1	REAL000000006013	1	54	0.0	-16.03	422.20	6.51	-9.52
CCCC(NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)C1=NN=N[N-]1	REAL000000006014	0	55	-1.0	-50.71	429.62	5.00	-45.70
CCCC(NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)C1=N[N-]N=N1	REAL000000006014	1	55	-1.0	-50.70	429.57	5.01	-45.69
CCCC(NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)C1=NNN=N1	REAL000000006014	1	56	0.0	-17.20	432.44	5.02	-12.18
CCCC(NC(=O)CSCC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000006015	0	51	-1.0	-47.96	419.61	8.02	-39.94
CCCC(NC(=O)CSCC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000006015	1	51	-1.0	-47.95	419.55	8.02	-39.93
CCCC(NC(=O)CSCC1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000006015	1	52	0.0	-12.94	422.99	8.03	-4.90
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=CC=N1)C1=NN=N[N-]1	REAL000000006016	0	41	-1.0	-49.63	346.18	5.37	-44.25
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=CC=N1)C1=N[N-]N=N1	REAL000000006016	1	41	-1.0	-49.63	346.12	5.36	-44.27
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=CC=N1)C1=NNN=N1	REAL000000006016	1	42	0.0	-11.82	349.56	5.38	-6.44
CCCC(NC(=O)C1=C2N=CC=CC2=C(C)C=C1)C1=NN=N[N-]1	REAL000000006017	0	40	-1.0	-57.85	331.15	5.00	-52.85
CCCC(NC(=O)C1=C2N=CC=CC2=C(C)C=C1)C1=N[N-]N=N1	REAL000000006017	1	40	-1.0	-57.85	331.10	5.00	-52.85
CCCC(NC(=O)C1=C2N=CC=CC2=C(C)C=C1)C1=NNN=N1	REAL000000006017	1	41	0.0	-17.96	334.53	5.01	-12.95
CCCC(NC(=O)C1=C2C=COC2=C(F)C=C1)C1=NN=N[N-]1	REAL000000006018	0	35	-1.0	-48.03	305.88	4.04	-43.99
CCCC(NC(=O)C1=C2C=COC2=C(F)C=C1)C1=N[N-]N=N1	REAL000000006018	1	35	-1.0	-48.02	305.83	4.03	-43.99
CCCC(NC(=O)C1=C2C=COC2=C(F)C=C1)C1=NNN=N1	REAL000000006018	1	36	0.0	-10.63	302.07	3.71	-6.92
CCCC(NC(=O)C1=C2C=COC2=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000006019	0	35	-1.0	-47.69	316.21	4.48	-43.21
CCCC(NC(=O)C1=C2C=COC2=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000006019	1	35	-1.0	-47.68	316.15	4.47	-43.21
CCCC(NC(=O)C1=C2C=COC2=C(Cl)C=C1)C1=NNN=N1	REAL000000006019	1	36	0.0	-13.44	319.59	4.49	-8.95
CCCC(NC(=O)C1=CC(C)=CC(I)=C1)C1=NN=N[N-]1	REAL000000006020	0	35	-1.0	-43.95	323.54	5.41	-38.53
CCCC(NC(=O)C1=CC(C)=CC(I)=C1)C1=N[N-]N=N1	REAL000000006020	1	35	-1.0	-43.94	323.48	5.40	-38.54
CCCC(NC(=O)C1=CC(C)=CC(I)=C1)C1=NNN=N1	REAL000000006020	1	36	0.0	-8.85	326.92	5.42	-3.43
CCCC(NC(=O)C1=C2OC=CC2=CC(F)=C1)C1=NN=N[N-]1	REAL000000006021	0	35	-1.0	-49.63	307.67	4.65	-44.98
CCCC(NC(=O)C1=C2OC=CC2=CC(F)=C1)C1=N[N-]N=N1	REAL000000006021	1	35	-1.0	-49.62	307.61	4.64	-44.98
CCCC(NC(=O)C1=C2OC=CC2=CC(F)=C1)C1=NNN=N1	REAL000000006021	1	36	0.0	-13.55	311.05	4.65	-8.90
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1SC)C1=NN=N[N-]1	REAL000000006022	0	38	-1.0	-46.27	338.22	5.33	-40.94
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1SC)C1=N[N-]N=N1	REAL000000006022	1	38	-1.0	-46.27	338.17	5.33	-40.95
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1SC)C1=NNN=N1	REAL000000006022	1	39	0.0	-11.73	341.60	5.35	-6.38
CCCC(NC(=O)C1=NN(C)C(C2=CC=C(OC)C(OC)=C2)=C1)C1=NN=N[N-]1	REAL000000006023	0	50	-1.0	-52.79	411.62	3.89	-48.90
CCCC(NC(=O)C1=NN(C)C(C2=CC=C(OC)C(OC)=C2)=C1)C1=N[N-]N=N1	REAL000000006023	1	50	-1.0	-52.79	411.56	3.88	-48.91
CCCC(NC(=O)C1=NN(C)C(C2=CC=C(OC)C(OC)=C2)=C1)C1=NNN=N1	REAL000000006023	1	51	0.0	-13.85	407.81	3.56	-10.29
CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C1=NN=N[N-]1	REAL000000006024	0	51	0.0	-68.56	398.18	7.05	-61.51
CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C1=NN=N[N-]1	REAL000000006024	1	51	0.0	-61.59	395.66	7.18	-54.41
CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C1=N[N-]N=N1	REAL000000006024	1	51	0.0	-68.55	398.13	7.06	-61.50
CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C1=N[N-]N=N1	REAL000000006024	1	51	0.0	-61.58	395.59	7.17	-54.41
CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C1=NNN=N1	REAL000000006024	1	52	1.0	-45.91	402.26	7.17	-38.74
CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C1=NNN=N1	REAL000000006024	1	52	1.0	-42.80	398.51	7.09	-35.71
CCCC(NC(=O)C1=CC=C2CCN(C(=O)OC(C)(C)C)C2=C1)C1=NN=N[N-]1	REAL000000006025	0	53	-1.0	-60.52	421.10	6.48	-54.03
CCCC(NC(=O)C1=CC=C2CCN(C(=O)OC(C)(C)C)C2=C1)C1=N[N-]N=N1	REAL000000006025	1	53	-1.0	-60.53	421.04	6.49	-54.04
CCCC(NC(=O)C1=CC=C2CCN(C(=O)OC(C)(C)C)C2=C1)C1=NNN=N1	REAL000000006025	1	54	0.0	-21.18	424.48	6.49	-14.69
CCCC(NC(=O)C1=CC=CC(OCCCOC)=C1C)C1=NN=N[N-]1	REAL000000006026	0	49	-1.0	-50.36	395.44	4.53	-45.83
CCCC(NC(=O)C1=CC=CC(OCCCOC)=C1C)C1=N[N-]N=N1	REAL000000006026	1	49	-1.0	-50.36	395.38	4.53	-45.83
CCCC(NC(=O)C1=CC=CC(OCCCOC)=C1C)C1=NNN=N1	REAL000000006026	1	50	0.0	-13.57	398.82	4.53	-9.03
C=CCCCC(NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=NN=N[N-]1	REAL000000006027	0	55	-1.0	-56.44	433.20	4.81	-51.62
C=CCCCC(NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=N[N-]N=N1	REAL000000006027	1	55	-1.0	-56.43	433.14	4.80	-51.63
C=CCCCC(NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=NNN=N1	REAL000000006027	1	56	0.0	-10.04	435.75	3.99	-6.04
CCCC(NC(=O)CC(C)(C)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006028	0	54	-1.0	-45.93	413.55	3.33	-42.60
CCCC(NC(=O)CC(C)(C)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006028	1	54	-1.0	-45.93	413.49	3.32	-42.61
CCCC(NC(=O)CC(C)(C)CNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006028	1	55	0.0	-11.71	416.93	3.34	-8.37
CCCC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=NN1C)C1=NN=N[N-]1	REAL000000006029	0	49	-1.0	-44.34	397.07	2.37	-41.97
CCCC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=NN1C)C1=N[N-]N=N1	REAL000000006029	1	49	-1.0	-44.32	397.01	2.37	-41.96
CCCC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=NN1C)C1=NNN=N1	REAL000000006029	1	50	0.0	-10.32	400.28	2.38	-7.94
CCCC(NC(=O)CCC1=C(NC(=O)OC(C)(C)C)C=NN1C)C1=NN=N[N-]1	REAL000000006030	0	55	-1.0	-47.13	442.05	2.91	-44.22
CCCC(NC(=O)CCC1=C(NC(=O)OC(C)(C)C)C=NN1C)C1=N[N-]N=N1	REAL000000006030	1	55	-1.0	-47.13	441.99	2.91	-44.22
CCCC(NC(=O)CCC1=C(NC(=O)OC(C)(C)C)C=NN1C)C1=NNN=N1	REAL000000006030	1	56	0.0	-13.07	438.24	2.59	-10.48
CCCC(NC(=O)C(OC)C1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL000000006031	0	42	-1.0	-45.13	358.07	5.39	-39.75
CCCC(NC(=O)C(OC)C1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL000000006031	1	42	-1.0	-45.14	358.02	5.38	-39.76
CCCC(NC(=O)C(OC)C1=CC=CC=C1C(F)(F)F)C1=NNN=N1	REAL000000006031	1	43	0.0	-10.21	361.31	5.37	-4.84
CCCC(NC(=O)C1=C2C=C(C)C=CC2=NC(C2=CC=CO2)=C1)C1=NN=N[N-]1	REAL000000006032	0	47	-1.0	-48.94	394.21	6.46	-42.47
CCCC(NC(=O)C1=C2C=C(C)C=CC2=NC(C2=CC=CO2)=C1)C1=N[N-]N=N1	REAL000000006032	1	47	-1.0	-48.94	394.15	6.46	-42.47
CCCC(NC(=O)C1=C2C=C(C)C=CC2=NC(C2=CC=CO2)=C1)C1=NNN=N1	REAL000000006032	1	48	0.0	-10.61	390.39	6.15	-4.46
CCCC(NC(=O)C(CC(C)CC)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006033	0	57	-1.0	-43.13	436.36	4.30	-38.82
CCCC(NC(=O)C(CC(C)CC)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006033	1	57	-1.0	-43.13	436.30	4.30	-38.82
CCCC(NC(=O)C(CC(C)CC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006033	1	58	0.0	-9.05	437.68	4.54	-4.50
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C(C)(C)C)C1=NN=N[N-]1	REAL000000006034	0	57	-1.0	-49.96	430.77	4.21	-45.75
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C(C)(C)C)C1=N[N-]N=N1	REAL000000006034	1	57	-1.0	-49.96	430.71	4.21	-45.75
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C(C)(C)C)C1=NNN=N1	REAL000000006034	1	58	0.0	-12.42	426.99	3.89	-8.53
CCCC(NC(=O)C=CC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000006035	0	36	-1.0	-45.02	325.61	5.35	-39.66
CCCC(NC(=O)C=CC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000006035	1	36	-1.0	-45.02	325.56	5.35	-39.67
CCCC(NC(=O)C=CC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000006035	1	37	0.0	-10.74	328.99	5.36	-5.38
CCCC(NC(=O)C=CC1=CC2=C(C=C1OCC)CC(C)O2)C1=NN=N[N-]1	REAL000000006036	0	51	-1.0	-50.95	416.09	5.75	-45.20
CCCC(NC(=O)C=CC1=CC2=C(C=C1OCC)CC(C)O2)C1=N[N-]N=N1	REAL000000006036	1	51	-1.0	-50.96	416.03	5.75	-45.21
CCCC(NC(=O)C=CC1=CC2=C(C=C1OCC)CC(C)O2)C1=NNN=N1	REAL000000006036	1	52	0.0	-10.75	412.22	5.44	-5.31
CCCC(NC(=O)C=CC1=CN=C(C(C)(C)C)S1)C1=NN=N[N-]1	REAL000000006037	0	44	-1.0	-46.52	375.36	4.61	-41.91
CCCC(NC(=O)C=CC1=CN=C(C(C)(C)C)S1)C1=N[N-]N=N1	REAL000000006037	1	44	-1.0	-46.52	375.30	4.61	-41.91
CCCC(NC(=O)C=CC1=CN=C(C(C)(C)C)S1)C1=NNN=N1	REAL000000006037	1	45	0.0	-11.28	378.73	4.62	-6.66
CCCC(NC(=O)C=CC1=CC=C(C2=CC=C(F)C=C2)S1)C1=NN=N[N-]1	REAL000000006038	0	43	-1.0	-46.92	383.53	7.68	-39.23
CCCC(NC(=O)C=CC1=CC=C(C2=CC=C(F)C=C2)S1)C1=N[N-]N=N1	REAL000000006038	1	43	-1.0	-46.92	383.47	7.69	-39.23
CCCC(NC(=O)C=CC1=CC=C(C2=CC=C(F)C=C2)S1)C1=NNN=N1	REAL000000006038	1	44	0.0	-8.76	379.66	7.36	-1.40
CCCC(NC(=O)C=CC1=CC=C(NS(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL000000006039	0	44	-1.0	-52.25	382.24	1.55	-50.71
CCCC(NC(=O)C=CC1=CC=C(NS(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL000000006039	1	44	-1.0	-52.25	382.18	1.55	-50.70
CCCC(NC(=O)C=CC1=CC=C(NS(C)(=O)=O)C=C1)C1=NNN=N1	REAL000000006039	1	45	0.0	-17.88	385.61	1.56	-16.32
CCCC(NC(=O)C=CC1=CC=CC=C1OC(C)CC)C1=NN=N[N-]1	REAL000000006040	0	49	-1.0	-50.99	397.80	6.59	-44.40
CCCC(NC(=O)C=CC1=CC=CC=C1OC(C)CC)C1=N[N-]N=N1	REAL000000006040	1	49	-1.0	-50.99	397.74	6.58	-44.41
CCCC(NC(=O)C=CC1=CC=CC=C1OC(C)CC)C1=NNN=N1	REAL000000006040	1	50	0.0	-13.37	401.16	6.60	-6.77
CCCC(NC(=O)C=CC1=CC=C2C=CC(Cl)=CC2=N1)C1=NN=N[N-]1	REAL000000006041	0	41	-1.0	-48.20	369.36	5.96	-42.24
CCCC(NC(=O)C=CC1=CC=C2C=CC(Cl)=CC2=N1)C1=N[N-]N=N1	REAL000000006041	1	41	-1.0	-48.21	369.30	5.96	-42.25
CCCC(NC(=O)C=CC1=CC=C2C=CC(Cl)=CC2=N1)C1=NNN=N1	REAL000000006041	1	42	0.0	-10.28	365.49	5.65	-4.63
CCCC(NC(=O)C=CC1=CC=CC(OC2CCCC2)=C1)C1=NN=N[N-]1	REAL000000006042	0	50	-1.0	-48.03	403.58	7.05	-40.98
CCCC(NC(=O)C=CC1=CC=CC(OC2CCCC2)=C1)C1=N[N-]N=N1	REAL000000006042	1	50	-1.0	-48.02	403.52	7.05	-40.97
CCCC(NC(=O)C=CC1=CC=CC(OC2CCCC2)=C1)C1=NNN=N1	REAL000000006042	1	51	0.0	-11.80	406.34	7.05	-4.74
CCCC(NC(=O)C1=CN2N=CC(Br)=C2C=C1)C1=NN=N[N-]1	REAL000000006043	0	35	-1.0	-45.01	323.17	4.04	-40.97
CCCC(NC(=O)C1=CN2N=CC(Br)=C2C=C1)C1=N[N-]N=N1	REAL000000006043	1	35	-1.0	-45.01	323.11	4.04	-40.97
CCCC(NC(=O)C1=CN2N=CC(Br)=C2C=C1)C1=NNN=N1	REAL000000006043	1	36	0.0	-13.00	326.55	4.05	-8.95
CCCC(NC(=O)C1=CC(Br)=CC=C1CC)C1=NN=N[N-]1	REAL000000006044	0	38	-1.0	-43.94	329.62	5.65	-38.29
CCCC(NC(=O)C1=CC(Br)=CC=C1CC)C1=N[N-]N=N1	REAL000000006044	1	38	-1.0	-43.94	329.57	5.64	-38.30
CCCC(NC(=O)C1=CC(Br)=CC=C1CC)C1=NNN=N1	REAL000000006044	1	39	0.0	-8.18	333.00	5.66	-2.52
CCCC(NC(=O)C1=CC(Br)=CC(OC)=C1)C1=NN=N[N-]1	REAL000000006045	0	36	-1.0	-45.26	325.12	3.58	-41.69
CCCC(NC(=O)C1=CC(Br)=CC(OC)=C1)C1=N[N-]N=N1	REAL000000006045	1	36	-1.0	-45.25	325.06	3.58	-41.68
CCCC(NC(=O)C1=CC(Br)=CC(OC)=C1)C1=NNN=N1	REAL000000006045	1	37	0.0	-10.42	328.50	3.58	-6.83
CCCC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL000000006046	0	52	0.0	-73.27	417.05	6.53	-66.73
CCCC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL000000006046	1	52	0.0	-73.26	416.99	6.52	-66.73
CCCC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C1=NNN=N1	REAL000000006046	1	53	1.0	-42.24	413.20	6.23	-36.02
CCCC(NC(=O)CC1=NN(CC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000006047	0	38	-1.0	-57.95	340.41	3.43	-54.51
CCCC(NC(=O)CC1=NN(CC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000006047	1	38	-1.0	-57.95	340.36	3.43	-54.53
CCCC(NC(=O)CC1=NN(CC(F)(F)F)C=C1)C1=NNN=N1	REAL000000006047	1	39	0.0	-18.02	343.79	3.44	-14.58
CCCC(NC(=O)C1=C2C(Br)=CC=CN2N=C1)C1=NN=N[N-]1	REAL000000006048	0	35	-1.0	-51.43	319.52	3.87	-47.56
CCCC(NC(=O)C1=C2C(Br)=CC=CN2N=C1)C1=N[N-]N=N1	REAL000000006048	1	35	-1.0	-51.43	319.46	3.87	-47.56
CCCC(NC(=O)C1=C2C(Br)=CC=CN2N=C1)C1=NNN=N1	REAL000000006048	1	36	0.0	-12.37	315.73	3.56	-8.81
CCCC(NC(=O)C1=CC2=CC(Br)=CN=C2N1C)C1=NN=N[N-]1	REAL000000006049	0	38	-1.0	-44.89	342.48	4.95	-39.94
CCCC(NC(=O)C1=CC2=CC(Br)=CN=C2N1C)C1=N[N-]N=N1	REAL000000006049	1	38	-1.0	-44.88	342.42	4.95	-39.93
CCCC(NC(=O)C1=CC2=CC(Br)=CN=C2N1C)C1=NNN=N1	REAL000000006049	1	39	0.0	-8.62	337.78	4.66	-3.96
CCCC(NC(=O)C1=CC(Br)=C(N)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000006050	0	36	-1.0	-45.34	331.65	3.10	-42.24
CCCC(NC(=O)C1=CC(Br)=C(N)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000006050	1	36	-1.0	-45.33	331.60	3.09	-42.24
CCCC(NC(=O)C1=CC(Br)=C(N)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000006050	1	37	0.0	-12.65	335.03	3.11	-9.54
CCCC(NC(=O)CC1=CC(=O)N(CC(C)C)[N-]1)C1=NN=N[N-]1	REAL000000006051	0	44	-2.0	-104.24	367.39	2.60	-101.64
CCCC(NC(=O)CC1=CC(=O)N(CC(C)C)[N-]1)C1=N[N-]N=N1	REAL000000006051	1	44	-2.0	-104.24	367.33	2.61	-101.64
CCCC(NC(=O)C1=CC(=O)N(C)C=C1Br)C1=NN=N[N-]1	REAL000000006052	0	35	-1.0	-48.26	316.05	3.06	-45.20
CCCC(NC(=O)C1=CC(=O)N(C)C=C1Br)C1=N[N-]N=N1	REAL000000006052	1	35	-1.0	-48.25	315.99	3.05	-45.20
CCCC(NC(=O)C1=CC(=O)N(C)C=C1Br)C1=NNN=N1	REAL000000006052	1	36	0.0	-13.75	319.43	3.07	-10.68
CCCC(NC(=O)COC1=C(C)OC=CC1=O)C1=NN=N[N-]1	REAL000000006053	0	38	-1.0	-60.81	331.03	3.56	-57.24
CCCC(NC(=O)COC1=C(C)OC=CC1=O)C1=N[N-]N=N1	REAL000000006053	1	38	-1.0	-60.80	330.97	3.55	-57.25
CCCC(NC(=O)COC1=C(C)OC=CC1=O)C1=NNN=N1	REAL000000006053	1	39	0.0	-19.72	334.40	3.57	-16.15
CCCC(NC(=O)C1=NC(C(C)C)=NC=C1Br)C1=NN=N[N-]1	REAL000000006054	0	39	-1.0	-42.53	346.45	3.53	-39.00
CCCC(NC(=O)C1=NC(C(C)C)=NC=C1Br)C1=N[N-]N=N1	REAL000000006054	1	39	-1.0	-42.53	346.39	3.52	-39.01
CCCC(NC(=O)C1=NC(C(C)C)=NC=C1Br)C1=NNN=N1	REAL000000006054	1	40	0.0	-8.30	349.83	3.53	-4.78
CCCC(NC(=O)CCC1=CC(F)=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000006055	0	40	-1.0	-52.63	346.29	5.57	-47.07
CCCC(NC(=O)CCC1=CC(F)=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000006055	1	40	-1.0	-52.62	346.23	5.56	-47.07
CCCC(NC(=O)CCC1=CC(F)=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000006055	1	41	0.0	-12.17	349.66	5.57	-6.60
CCCC(NC(=O)CCC1=C(Cl)C=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000006056	0	40	-1.0	-55.25	356.79	6.04	-49.21
CCCC(NC(=O)CCC1=C(Cl)C=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000006056	1	40	-1.0	-55.24	356.74	6.04	-49.20
CCCC(NC(=O)CCC1=C(Cl)C=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000006056	1	41	0.0	-14.29	360.17	6.05	-8.25
CCCC(NC(=O)C1=NC(C2CC2)=NC=C1Br)C1=NN=N[N-]1	REAL000000006057	0	37	-1.0	-42.89	335.47	4.00	-38.89
CCCC(NC(=O)C1=NC(C2CC2)=NC=C1Br)C1=N[N-]N=N1	REAL000000006057	1	37	-1.0	-42.90	335.41	3.99	-38.91
CCCC(NC(=O)C1=NC(C2CC2)=NC=C1Br)C1=NNN=N1	REAL000000006057	1	38	0.0	-8.54	338.85	4.00	-4.54
CCCC(NC(=O)CN1N=C(C(F)F)C=C1C(F)F)C1=NN=N[N-]1	REAL000000006058	0	38	-1.0	-44.88	345.01	3.19	-41.69
CCCC(NC(=O)CN1N=C(C(F)F)C=C1C(F)F)C1=N[N-]N=N1	REAL000000006058	1	38	-1.0	-44.89	344.95	3.18	-41.70
CCCC(NC(=O)CN1N=C(C(F)F)C=C1C(F)F)C1=NNN=N1	REAL000000006058	1	39	0.0	-14.62	348.39	3.20	-11.42
CCCC(NC(=O)C1=CC=CC(C(C)(C)C)=C1N)C1=NN=N[N-]1	REAL000000006059	0	46	-1.0	-44.94	351.03	4.61	-40.33
CCCC(NC(=O)C1=CC=CC(C(C)(C)C)=C1N)C1=N[N-]N=N1	REAL000000006059	1	46	-1.0	-44.94	350.97	4.60	-40.35
CCCC(NC(=O)C1=CC=CC(C(C)(C)C)=C1N)C1=NNN=N1	REAL000000006059	1	47	0.0	-8.94	354.41	4.62	-4.32
CCCC(NC(=O)[C@H]1CC[C@@H](NC2=CC=CC=N2)CC1)C1=NN=N[N-]1	REAL000000006060	0	49	-1.0	-53.71	383.09	5.13	-48.58
CCCC(NC(=O)[C@H]1CC[C@@H](NC2=CC=CC=N2)CC1)C1=N[N-]N=N1	REAL000000006060	1	49	-1.0	-53.69	383.03	5.12	-48.58
CCCC(NC(=O)[C@H]1CC[C@@H](NC2=CC=CC=N2)CC1)C1=NNN=N1	REAL000000006060	1	50	0.0	-10.90	379.31	4.80	-6.10
CCCC(NC(=O)C1=CC=C(C(F)(F)F)O1)C1=NN=N[N-]1	REAL000000006061	0	32	-1.0	-41.31	299.74	2.87	-38.44
CCCC(NC(=O)C1=CC=C(C(F)(F)F)O1)C1=N[N-]N=N1	REAL000000006061	1	32	-1.0	-41.31	299.69	2.87	-38.43
CCCC(NC(=O)C1=CC=C(C(F)(F)F)O1)C1=NNN=N1	REAL000000006061	1	33	0.0	-8.17	303.12	2.88	-5.29
CCCC(NC(=O)CCCN(C)C(=O)C1=CC=NC=C1)C1=NN=N[N-]1	REAL000000006062	0	47	-1.0	-53.48	386.23	3.52	-49.95
CCCC(NC(=O)CCCN(C)C(=O)C1=CC=NC=C1)C1=N[N-]N=N1	REAL000000006062	1	47	-1.0	-53.48	386.17	3.52	-49.96
CCCC(NC(=O)CCCN(C)C(=O)C1=CC=NC=C1)C1=NNN=N1	REAL000000006062	1	48	0.0	-18.84	391.21	3.57	-15.28
CCCC(NC(=O)COCC1=NC(CC)=NO1)C1=NN=N[N-]1	REAL000000006063	0	40	-1.0	-54.54	346.52	0.91	-53.63
CCCC(NC(=O)COCC1=NC(CC)=NO1)C1=N[N-]N=N1	REAL000000006063	1	40	-1.0	-54.53	346.46	0.90	-53.63
CCCC(NC(=O)COCC1=NC(CC)=NO1)C1=NNN=N1	REAL000000006063	1	41	0.0	-19.49	349.89	0.92	-18.57
CCCC(NC(=O)CC1CCC(C(F)(F)F)O1)C1=NN=N[N-]1	REAL000000006064	0	39	-1.0	-53.58	334.55	3.44	-50.14
CCCC(NC(=O)CC1CCC(C(F)(F)F)O1)C1=N[N-]N=N1	REAL000000006064	1	39	-1.0	-53.58	334.49	3.44	-50.14
CCCC(NC(=O)CC1CCC(C(F)(F)F)O1)C1=NNN=N1	REAL000000006064	1	40	0.0	-15.08	337.93	3.45	-11.63
CCCC(NC(=O)C1=C(C)N=C2C=CC(OC)=CC2=C1)C1=NN=N[N-]1	REAL000000006065	0	44	-1.0	-46.87	361.27	3.98	-42.89
CCCC(NC(=O)C1=C(C)N=C2C=CC(OC)=CC2=C1)C1=N[N-]N=N1	REAL000000006065	1	44	-1.0	-46.87	361.21	3.97	-42.90
CCCC(NC(=O)C1=C(C)N=C2C=CC(OC)=CC2=C1)C1=NNN=N1	REAL000000006065	1	45	0.0	-12.66	364.66	3.99	-8.67
CCCC(NC(=O)C1=NC(C)=CC=C1Br)C1=NN=N[N-]1	REAL000000006066	0	34	-1.0	-47.75	309.47	3.16	-44.59
CCCC(NC(=O)C1=NC(C)=CC=C1Br)C1=N[N-]N=N1	REAL000000006066	1	34	-1.0	-47.75	309.41	3.16	-44.58
CCCC(NC(=O)C1=NC(C)=CC=C1Br)C1=NNN=N1	REAL000000006066	1	35	0.0	-10.70	312.85	3.17	-7.53
CCCC(NC(=O)C1=CC=C(OC(F)F)C=C1F)C1=NN=N[N-]1	REAL000000006067	0	36	-1.0	-50.25	318.05	3.31	-46.94
CCCC(NC(=O)C1=CC=C(OC(F)F)C=C1F)C1=N[N-]N=N1	REAL000000006067	1	36	-1.0	-50.25	317.99	3.32	-46.93
CCCC(NC(=O)C1=CC=C(OC(F)F)C=C1F)C1=NNN=N1	REAL000000006067	1	37	0.0	-11.07	314.23	2.99	-8.08
CCCC(NC(=O)C1=CN=NN1C1=CC=CC(Cl)=C1Cl)C1=NN=N[N-]1	REAL000000006068	0	38	-1.0	-41.78	356.55	4.44	-37.35
CCCC(NC(=O)C1=CN=NN1C1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL000000006068	1	38	-1.0	-41.78	356.50	4.44	-37.35
CCCC(NC(=O)C1=CN=NN1C1=CC=CC(Cl)=C1Cl)C1=NNN=N1	REAL000000006068	1	39	0.0	-12.17	354.79	4.12	-8.04
CCCC(NC(=O)CN1CC2=C(C=NN2C2=CC=CC=C2)C1=O)C1=NN=N[N-]1	REAL000000006069	0	47	-1.0	-52.74	402.66	5.25	-47.49
CCCC(NC(=O)CN1CC2=C(C=NN2C2=CC=CC=C2)C1=O)C1=N[N-]N=N1	REAL000000006069	1	47	-1.0	-52.74	402.61	5.25	-47.50
CCCC(NC(=O)CN1CC2=C(C=NN2C2=CC=CC=C2)C1=O)C1=NNN=N1	REAL000000006069	1	48	0.0	-24.44	406.04	5.26	-19.18
CCCC(NC(=O)C1CC(C2=CN(C)N=C2C)=NO1)C1=NN=N[N-]1	REAL000000006070	0	43	-1.0	-54.32	365.44	3.52	-50.80
CCCC(NC(=O)C1CC(C2=CN(C)N=C2C)=NO1)C1=N[N-]N=N1	REAL000000006070	1	43	-1.0	-54.31	365.39	3.51	-50.80
CCCC(NC(=O)C1CC(C2=CN(C)N=C2C)=NO1)C1=NNN=N1	REAL000000006070	1	44	0.0	-22.54	368.81	3.54	-19.00
CCCC(NC(=O)C1=CC=NC(C2=CC=CO2)=C1)C1=NN=N[N-]1	REAL000000006071	0	38	-1.0	-49.80	331.29	3.64	-46.16
CCCC(NC(=O)C1=CC=NC(C2=CC=CO2)=C1)C1=N[N-]N=N1	REAL000000006071	1	38	-1.0	-49.80	331.24	3.64	-46.16
CCCC(NC(=O)C1=CC=NC(C2=CC=CO2)=C1)C1=NNN=N1	REAL000000006071	1	39	0.0	-15.63	334.67	3.65	-11.98
CCCC(NC(=O)CN1N=C(C(F)(F)F)C2=C1CCCC2)C1=NN=N[N-]1	REAL000000006072	0	45	-1.0	-48.00	380.25	4.91	-43.09
CCCC(NC(=O)CN1N=C(C(F)(F)F)C2=C1CCCC2)C1=N[N-]N=N1	REAL000000006072	1	45	-1.0	-47.99	380.19	4.90	-43.09
CCCC(NC(=O)CN1N=C(C(F)(F)F)C2=C1CCCC2)C1=NNN=N1	REAL000000006072	1	46	0.0	-18.34	383.63	4.92	-13.42
CCCC(NC(=O)C1=CC=NC(C2=CC=CC=N2)=N1)C1=NN=N[N-]1	REAL000000006073	0	39	-1.0	-50.12	341.96	3.10	-47.01
CCCC(NC(=O)C1=CC=NC(C2=CC=CC=N2)=N1)C1=N[N-]N=N1	REAL000000006073	1	39	-1.0	-50.12	341.90	3.10	-47.02
CCCC(NC(=O)C1=CC=NC(C2=CC=CC=N2)=N1)C1=NNN=N1	REAL000000006073	1	40	0.0	-12.31	338.15	2.79	-9.52
CCCC(NC(=O)C1=CC=C2CCC(=O)N(C)C2=C1)C1=NN=N[N-]1	REAL000000006074	0	43	-1.0	-51.67	351.03	4.58	-47.09
CCCC(NC(=O)C1=CC=C2CCC(=O)N(C)C2=C1)C1=N[N-]N=N1	REAL000000006074	1	43	-1.0	-51.67	350.97	4.58	-47.09
CCCC(NC(=O)C1=CC=C2CCC(=O)N(C)C2=C1)C1=NNN=N1	REAL000000006074	1	44	0.0	-16.88	354.40	4.59	-12.29
CCCC(NC(=O)CCNC(=O)C=CCl)C1=NN=N[N-]1	REAL000000006075	0	36	-1.0	-51.75	328.80	0.81	-50.94
CCCC(NC(=O)CCNC(=O)C=CCl)C1=N[N-]N=N1	REAL000000006075	1	36	-1.0	-51.75	328.74	0.81	-50.94
CCCC(NC(=O)CCNC(=O)C=CCl)C1=NNN=N1	REAL000000006075	1	37	0.0	-17.40	332.17	0.82	-16.59
CCCC(NC(=O)C1=CN=C(Br)C(C)=C1)C1=NN=N[N-]1	REAL000000006076	0	34	-1.0	-42.80	309.01	2.94	-39.86
CCCC(NC(=O)C1=CN=C(Br)C(C)=C1)C1=N[N-]N=N1	REAL000000006076	1	34	-1.0	-42.80	308.96	2.94	-39.86
CCCC(NC(=O)C1=CN=C(Br)C(C)=C1)C1=NNN=N1	REAL000000006076	1	35	0.0	-10.07	312.39	2.95	-7.11
CCCC(NC(=O)C1=CC(=O)NC2=C1CCCC2)C1=NN=N[N-]1	REAL000000006077	0	42	-1.0	-48.24	336.59	2.99	-45.25
CCCC(NC(=O)C1=CC(=O)NC2=C1CCCC2)C1=N[N-]N=N1	REAL000000006077	1	42	-1.0	-48.23	336.53	2.98	-45.25
CCCC(NC(=O)C1=CC(=O)NC2=C1CCCC2)C1=NNN=N1	REAL000000006077	1	43	0.0	-11.11	332.86	2.65	-8.47
CCCC(NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C1=NN=N[N-]1	REAL000000006078	0	49	-1.0	-52.12	384.50	1.20	-50.92
CCCC(NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C1=N[N-]N=N1	REAL000000006078	1	49	-1.0	-52.12	384.45	1.20	-50.92
CCCC(NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C1=NNN=N1	REAL000000006078	1	50	0.0	-15.53	387.89	1.21	-14.33
CCCC(NC(=O)C1=CC=CC(NC2=NC=CS2)=C1)C1=NN=N[N-]1	REAL000000006079	0	40	-1.0	-50.48	349.55	4.07	-46.41
CCCC(NC(=O)C1=CC=CC(NC2=NC=CS2)=C1)C1=N[N-]N=N1	REAL000000006079	1	40	-1.0	-50.48	349.49	4.06	-46.41
CCCC(NC(=O)C1=CC=CC(NC2=NC=CS2)=C1)C1=NNN=N1	REAL000000006079	1	41	0.0	-11.33	345.75	3.75	-7.58
CCCC1=CC(C(=O)NC(CCC)C2=NN=N[N-]2)=CC(=O)N1	REAL000000006080	0	41	-1.0	-51.36	343.70	2.67	-48.69
CCCC1=CC(C(=O)NC(CCC)C2=N[N-]N=N2)=CC(=O)N1	REAL000000006080	1	41	-1.0	-51.36	343.64	2.67	-48.69
CCCC1=CC(C(=O)NC(CCC)C2=NNN=N2)=CC(=O)N1	REAL000000006080	1	42	0.0	-14.32	339.89	2.36	-11.96
CCCC(NC(=O)C1=CNC(=O)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000006081	0	35	-1.0	-45.32	315.92	1.63	-43.69
CCCC(NC(=O)C1=CNC(=O)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000006081	1	35	-1.0	-45.31	315.86	1.62	-43.69
CCCC(NC(=O)C1=CNC(=O)C(C(F)(F)F)=C1)C1=NNN=N1	REAL000000006081	1	36	0.0	-15.99	319.29	1.64	-14.35
CCCC(NC(=O)C1=CC(SCC)=CNC1=O)C1=NN=N[N-]1	REAL000000006082	0	39	-1.0	-55.66	338.01	2.71	-52.95
CCCC(NC(=O)C1=CC(SCC)=CNC1=O)C1=N[N-]N=N1	REAL000000006082	1	39	-1.0	-55.66	337.96	2.71	-52.96
CCCC(NC(=O)C1=CC(SCC)=CNC1=O)C1=NNN=N1	REAL000000006082	1	40	0.0	-16.00	341.54	2.71	-13.29
CCCC(NC(=O)C1=C2N=C(C(F)F)NC2=CC=C1)C1=NN=N[N-]1	REAL000000006083	0	38	-1.0	-59.95	334.45	3.50	-56.45
CCCC(NC(=O)C1=C2N=C(C(F)F)NC2=CC=C1)C1=N[N-]N=N1	REAL000000006083	1	38	-1.0	-59.95	334.40	3.50	-56.45
CCCC(NC(=O)C1=C2N=C(C(F)F)NC2=CC=C1)C1=NNN=N1	REAL000000006083	1	39	0.0	-17.27	330.62	3.19	-14.08
CCCC(NC(=O)C1=CC2=CC=CC=C2OC1C(F)F)C1=NN=N[N-]1	REAL000000006084	0	41	-1.0	-47.66	351.67	5.16	-42.50
CCCC(NC(=O)C1=CC2=CC=CC=C2OC1C(F)F)C1=N[N-]N=N1	REAL000000006084	1	41	-1.0	-47.66	351.61	5.16	-42.50
CCCC(NC(=O)C1=CC2=CC=CC=C2OC1C(F)F)C1=NNN=N1	REAL000000006084	1	42	0.0	-13.58	351.61	5.04	-8.54
CCCC(NC(=O)CC1=CC=CC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL000000006085	0	37	-1.0	-58.47	332.18	3.70	-54.77
CCCC(NC(=O)CC1=CC=CC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL000000006085	1	37	-1.0	-58.46	332.12	3.70	-54.76
CCCC(NC(=O)CC1=CC=CC(C(F)(F)F)=N1)C1=NNN=N1	REAL000000006085	1	38	0.0	-14.30	328.38	3.38	-10.92
CCCC(NC(=O)CC1=CC=CC(OCC)=N1)C1=NN=N[N-]1	REAL000000006086	0	41	-1.0	-54.50	346.49	2.24	-52.26
CCCC(NC(=O)CC1=CC=CC(OCC)=N1)C1=N[N-]N=N1	REAL000000006086	1	41	-1.0	-54.50	346.43	2.23	-52.27
CCCC(NC(=O)CC1=CC=CC(OCC)=N1)C1=NNN=N1	REAL000000006086	1	42	0.0	-15.25	349.87	2.25	-13.00
CCCC(NC(=O)C1=CC(=O)NC=C1Br)C1=NN=N[N-]1	REAL000000006088	0	32	-1.0	-48.00	295.87	1.18	-46.81
CCCC(NC(=O)C1=CC(=O)NC=C1Br)C1=N[N-]N=N1	REAL000000006088	1	32	-1.0	-47.99	295.81	1.18	-46.81
CCCC(NC(=O)C1=CC(=O)NC=C1Br)C1=NNN=N1	REAL000000006088	1	33	0.0	-13.84	299.24	1.19	-12.65
CCCC(NC(=O)C1=C(C)NN=C1Br)C1=NN=N[N-]1	REAL000000006089	0	32	-1.0	-48.88	301.34	1.05	-47.82
CCCC(NC(=O)C1=C(C)NN=C1Br)C1=N[N-]N=N1	REAL000000006089	1	32	-1.0	-48.87	301.28	1.05	-47.82
CCCC(NC(=O)C1=C(C)NN=C1Br)C1=NNN=N1	REAL000000006089	1	33	0.0	-13.33	304.71	1.06	-12.27
CCCC(NC(=O)[C@@H](C)NC(=O)CN1C=NN=N1)C1=NN=N[N-]1	REAL000000006090	0	40	-1.0	-52.98	346.31	0.22	-52.76
CCCC(NC(=O)[C@@H](C)NC(=O)CN1C=NN=N1)C1=N[N-]N=N1	REAL000000006090	1	40	-1.0	-52.98	346.25	0.22	-52.76
CCCC(NC(=O)[C@@H](C)NC(=O)CN1C=NN=N1)C1=NNN=N1	REAL000000006090	1	41	0.0	-23.06	342.49	-0.10	-23.16
CCCC(NC(=O)C(F)(F)C1=CN=C(Cl)C(C)=C1)C1=NN=N[N-]1	REAL000000006091	0	37	-1.0	-40.59	339.23	3.65	-36.95
CCCC(NC(=O)C(F)(F)C1=CN=C(Cl)C(C)=C1)C1=N[N-]N=N1	REAL000000006091	1	37	-1.0	-40.60	339.17	3.65	-36.95
CCCC(NC(=O)C1=C2N=C(C)NC2=NC=C1)C1=NN=N[N-]1	REAL000000006092	0	37	-1.0	-56.98	316.74	2.53	-54.45
CCCC(NC(=O)C1=C2N=C(C)NC2=NC=C1)C1=N[N-]N=N1	REAL000000006092	1	37	-1.0	-56.98	316.68	2.54	-54.45
CCCC(NC(=O)C1=C2N=C(C)NC2=NC=C1)C1=NNN=N1	REAL000000006092	1	38	0.0	-20.15	320.12	2.54	-17.61
CCCC(NC(=O)C1=CC2=C(CCC(C(C)C)C2)NC1=O)C1=NN=N[N-]1	REAL000000006093	0	51	-1.0	-55.59	395.64	5.02	-50.56
CCCC(NC(=O)C1=CC2=C(CCC(C(C)C)C2)NC1=O)C1=N[N-]N=N1	REAL000000006093	1	51	-1.0	-55.60	395.58	5.01	-50.58
CCCC(NC(=O)C1=CC2=C(CCC(C(C)C)C2)NC1=O)C1=NNN=N1	REAL000000006093	1	52	0.0	-14.32	399.02	5.04	-9.29
CCCC(NC(=O)CN1N=C(C)C2=CC=CN=C21)C1=NN=N[N-]1	REAL000000006094	0	40	-1.0	-56.36	344.52	3.69	-52.67
CCCC(NC(=O)CN1N=C(C)C2=CC=CN=C21)C1=N[N-]N=N1	REAL000000006094	1	40	-1.0	-56.35	344.47	3.69	-52.66
CCCC(NC(=O)CN1N=C(C)C2=CC=CN=C21)C1=NNN=N1	REAL000000006094	1	41	0.0	-18.69	347.90	3.70	-14.98
CCCC(NC(=O)C1=CC2=CC=C(C(F)(F)F)C=C2NC1=O)C1=NN=N[N-]1	REAL000000006095	0	41	-1.0	-50.60	362.16	3.97	-46.63
CCCC(NC(=O)C1=CC2=CC=C(C(F)(F)F)C=C2NC1=O)C1=N[N-]N=N1	REAL000000006095	1	41	-1.0	-50.61	362.10	3.97	-46.64
CCCC(NC(=O)C1=CC2=CC=C(C(F)(F)F)C=C2NC1=O)C1=NNN=N1	REAL000000006095	1	42	0.0	-12.08	358.67	3.63	-8.44
CCCOC(C(=O)NC(CCC)C1=NN=N[N-]1)C1=CC=C(F)C=C1C	REAL000000006096	0	48	-1.0	-44.22	391.69	7.06	-37.17
CCCOC(C(=O)NC(CCC)C1=N[N-]N=N1)C1=CC=C(F)C=C1C	REAL000000006096	1	48	-1.0	-44.22	391.64	7.05	-37.17
CCCOC(C(=O)NC(CCC)C1=NNN=N1)C1=CC=C(F)C=C1C	REAL000000006096	1	49	0.0	-12.99	396.65	6.98	-6.01
CCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1=N[N-]N=N1	REAL000000006097	0	48	0.0	-68.04	380.64	5.77	-62.27
CCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1=NN=N[N-]1	REAL000000006097	1	48	0.0	-68.04	380.70	5.77	-62.27
CCCC(NC(=O)C1=CC=C(CN2C=CC(C(F)(F)F)=N2)C=C1)C1=NN=N[N-]1	REAL000000006098	0	45	-1.0	-54.67	399.50	6.28	-48.39
CCCC(NC(=O)C1=CC=C(CN2C=CC(C(F)(F)F)=N2)C=C1)C1=N[N-]N=N1	REAL000000006098	1	45	-1.0	-54.67	399.44	6.27	-48.41
CCCC(NC(=O)C1=CC=C(CN2C=CC(C(F)(F)F)=N2)C=C1)C1=NNN=N1	REAL000000006098	1	46	0.0	-18.89	402.88	6.28	-12.61
CCCC(NC(=O)[C@H](C)NC(=O)CN1C=NN=N1)C1=NN=N[N-]1	REAL000000006099	0	40	-1.0	-53.00	346.29	0.22	-52.78
CCCC(NC(=O)[C@H](C)NC(=O)CN1C=NN=N1)C1=N[N-]N=N1	REAL000000006099	1	40	-1.0	-52.99	346.24	0.22	-52.77
CCCC(NC(=O)[C@H](C)NC(=O)CN1C=NN=N1)C1=NNN=N1	REAL000000006099	1	41	0.0	-23.68	349.68	0.23	-23.46
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(N(C)C)C=C1)C1=NN=N[N-]1	REAL000000006100	0	47	-1.0	-48.62	378.39	6.08	-42.54
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(N(C)C)C=C1)C1=N[N-]N=N1	REAL000000006100	1	47	-1.0	-48.62	378.33	6.07	-42.56
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(N(C)C)C=C1)C1=NNN=N1	REAL000000006100	1	48	0.0	-11.84	381.77	6.08	-5.75
CCCC(NC(=O)CC1C(=O)NC2=CC=C(Br)C=C21)C1=NN=N[N-]1	REAL000000006101	0	40	-1.0	-50.73	357.53	4.59	-46.14
CCCC(NC(=O)CC1C(=O)NC2=CC=C(Br)C=C21)C1=N[N-]N=N1	REAL000000006101	1	40	-1.0	-50.72	357.47	4.59	-46.14
CCCC(NC(=O)CC1C(=O)NC2=CC=C(Br)C=C21)C1=NNN=N1	REAL000000006101	1	41	0.0	-14.69	360.90	4.60	-10.10
CCCC(NC(=O)C1=CC=C(CC2CC2)S1)C1=NN=N[N-]1	REAL000000006102	0	39	-1.0	-45.25	341.42	5.78	-39.47
CCCC(NC(=O)C1=CC=C(CC2CC2)S1)C1=N[N-]N=N1	REAL000000006102	1	39	-1.0	-45.26	341.36	5.78	-39.48
CCCC(NC(=O)C1=CC=C(CC2CC2)S1)C1=NNN=N1	REAL000000006102	1	40	0.0	-9.45	344.80	5.79	-3.65
CCCC(NC(=O)C1=CC=C2C(=C1)CCS2(=O)=O)C1=NN=N[N-]1	REAL000000006113	0	39	-1.0	-53.72	338.74	1.53	-52.19
CCCC(NC(=O)C1=CC=C2C(=C1)CCS2(=O)=O)C1=N[N-]N=N1	REAL000000006113	1	39	-1.0	-53.73	338.68	1.52	-52.20
CCCC(NC(=O)C1=CC=C2C(=C1)CCS2(=O)=O)C1=NNN=N1	REAL000000006113	1	40	0.0	-19.15	342.11	1.54	-17.61
CCCC(NC(=O)C1=CC2=CC=C(Cl)C=C2S1)C1=NN=N[N-]1	REAL000000006114	0	35	-1.0	-43.77	330.18	5.57	-38.20
CCCC(NC(=O)C1=CC2=CC=C(Cl)C=C2S1)C1=N[N-]N=N1	REAL000000006114	1	35	-1.0	-43.77	330.12	5.56	-38.21
CCCC(NC(=O)C1=CC2=CC=C(Cl)C=C2S1)C1=NNN=N1	REAL000000006114	1	36	0.0	-9.13	333.55	5.57	-3.56
CCCC(NC(=O)CCC(C)C1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000006115	0	44	-1.0	-46.59	377.45	6.88	-39.71
CCCC(NC(=O)CCC(C)C1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000006115	1	44	-1.0	-46.59	377.39	6.87	-39.72
CCCC(NC(=O)CCC(C)C1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000006115	1	45	0.0	-8.92	373.65	6.56	-2.36
CCCC(NC(=O)COCC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000006116	0	42	-1.0	-49.51	372.19	5.69	-43.81
CCCC(NC(=O)COCC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000006116	1	42	-1.0	-49.51	372.13	5.69	-43.82
CCCC(NC(=O)COCC1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000006116	1	43	0.0	-12.10	368.39	5.28	-6.82
CCCC(NC(=O)C1=NN(C2=CC=CC(OC)=C2)C=C1)C1=NN=N[N-]1	REAL000000006117	0	43	-1.0	-53.10	365.22	4.12	-48.98
CCCC(NC(=O)C1=NN(C2=CC=CC(OC)=C2)C=C1)C1=N[N-]N=N1	REAL000000006117	1	43	-1.0	-53.10	365.16	4.12	-48.98
CCCC(NC(=O)C1=NN(C2=CC=CC(OC)=C2)C=C1)C1=NNN=N1	REAL000000006117	1	44	0.0	-12.98	361.47	3.80	-9.18
CCCC(NC(=O)C(OC)C1=CC(F)=CC(F)=C1)C1=NN=N[N-]1	REAL000000006118	0	39	-1.0	-44.22	344.13	4.59	-39.62
CCCC(NC(=O)C(OC)C1=CC(F)=CC(F)=C1)C1=N[N-]N=N1	REAL000000006118	1	39	-1.0	-44.21	344.07	4.59	-39.62
CCCC(NC(=O)C(OC)C1=CC(F)=CC(F)=C1)C1=NNN=N1	REAL000000006118	1	40	0.0	-13.47	347.51	4.60	-8.87
CCCC(NC(=O)C1=NC(C)=C(Br)S1)C1=NN=N[N-]1	REAL000000006119	0	31	-1.0	-44.94	303.14	1.98	-42.96
CCCC(NC(=O)C1=NC(C)=C(Br)S1)C1=N[N-]N=N1	REAL000000006119	1	31	-1.0	-44.94	303.08	1.97	-42.97
CCCC(NC(=O)C1=NC(C)=C(Br)S1)C1=NNN=N1	REAL000000006119	1	32	0.0	-11.26	306.51	1.99	-9.27
CCCC(NC(=O)C1=CC2=C(OC)C=C(Cl)C=C2N1)C1=NN=N[N-]1	REAL000000006120	0	40	-1.0	-45.84	354.40	3.40	-42.44
CCCC(NC(=O)C1=CC2=C(OC)C=C(Cl)C=C2N1)C1=N[N-]N=N1	REAL000000006120	1	40	-1.0	-45.84	354.34	3.40	-42.44
CCCC(NC(=O)C1=CC2=C(OC)C=C(Cl)C=C2N1)C1=NNN=N1	REAL000000006120	1	41	0.0	-12.07	357.77	3.41	-8.66
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL000000006121	0	41	-1.0	-47.02	345.91	5.35	-41.67
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL000000006121	1	41	-1.0	-47.03	345.85	5.34	-41.68
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)C=N1)C1=NNN=N1	REAL000000006121	1	42	0.0	-10.51	349.29	5.36	-5.15
CCCC(NC(=O)C1=CN(CC2CCCO2)N=N1)C1=NN=N[N-]1	REAL000000006122	0	42	-1.0	-48.51	353.85	1.08	-47.43
CCCC(NC(=O)C1=CN(CC2CCCO2)N=N1)C1=N[N-]N=N1	REAL000000006122	1	42	-1.0	-48.51	353.79	1.07	-47.44
CCCC(NC(=O)C1=CN(CC2CCCO2)N=N1)C1=NNN=N1	REAL000000006122	1	43	0.0	-13.37	357.22	1.09	-12.28
CCCC(NC(=O)C1=NN2C=CC(C(F)(F)F)=NC2=N1)C1=NN=N[N-]1	REAL000000006123	0	36	-1.0	-51.76	335.86	4.90	-46.86
CCCC(NC(=O)C1=NN2C=CC(C(F)(F)F)=NC2=N1)C1=N[N-]N=N1	REAL000000006123	1	36	-1.0	-51.77	335.80	4.89	-46.88
CCCC(NC(=O)C1=NN2C=CC(C(F)(F)F)=NC2=N1)C1=NNN=N1	REAL000000006123	1	37	0.0	-14.94	332.06	4.57	-10.36
CCCC(NC(=O)C1=CC=C(OC)N=C1OC)C1=NN=N[N-]1	REAL000000006124	0	39	-1.0	-49.41	331.48	0.39	-49.02
CCCC(NC(=O)C1=CC=C(OC)N=C1OC)C1=N[N-]N=N1	REAL000000006124	1	39	-1.0	-49.41	331.42	0.38	-49.03
CCCC(NC(=O)C1=CC=C(OC)N=C1OC)C1=NNN=N1	REAL000000006124	1	40	0.0	-14.21	334.86	0.40	-13.81
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C1CCOCC1)C1=NN=N[N-]1	REAL000000006125	0	59	-1.0	-54.32	447.99	2.87	-51.45
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C1CCOCC1)C1=N[N-]N=N1	REAL000000006125	1	59	-1.0	-54.32	447.93	2.86	-51.46
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C1CCOCC1)C1=NNN=N1	REAL000000006125	1	60	0.0	-18.25	451.36	2.88	-15.36
CCCC(NC(=O)CC1=CC=CC(C(N)=O)=C1)C1=NN=N[N-]1	REAL000000006126	0	39	-1.0	-51.26	333.52	1.11	-50.15
CCCC(NC(=O)CC1=CC=CC(C(N)=O)=C1)C1=N[N-]N=N1	REAL000000006126	1	39	-1.0	-51.27	333.47	1.10	-50.16
CCCC(NC(=O)CC1=CC=CC(C(N)=O)=C1)C1=NNN=N1	REAL000000006126	1	40	0.0	-19.20	336.90	1.11	-18.09
CCCC(NC(=O)C1=CN=CC(NC(=O)CC)=C1)C1=NN=N[N-]1	REAL000000006127	0	41	-1.0	-57.74	346.08	1.58	-56.16
CCCC(NC(=O)C1=CN=CC(NC(=O)CC)=C1)C1=N[N-]N=N1	REAL000000006127	1	41	-1.0	-57.75	346.03	1.59	-56.16
CCCC(NC(=O)C1=CN=CC(NC(=O)CC)=C1)C1=NNN=N1	REAL000000006127	1	42	0.0	-18.97	349.23	1.61	-17.36
CCCC(NC(=O)C[C@@H](CCC)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006128	0	54	-1.0	-50.45	420.17	3.67	-46.78
CCCC(NC(=O)C[C@@H](CCC)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006128	1	54	-1.0	-50.45	420.11	3.66	-46.79
CCCC(NC(=O)C[C@@H](CCC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006128	1	55	0.0	-16.22	423.55	3.68	-12.54
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C1CCCCC1)C1=NN=N[N-]1	REAL000000006129	0	61	-1.0	-52.58	456.82	5.27	-47.31
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C1CCCCC1)C1=N[N-]N=N1	REAL000000006129	1	61	-1.0	-52.57	456.76	5.27	-47.30
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C1CCCCC1)C1=NNN=N1	REAL000000006129	1	62	0.0	-15.56	460.18	5.28	-10.28
CCCC(NC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006130	0	52	-1.0	-44.89	405.60	4.49	-40.41
CCCC(NC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006130	1	52	-1.0	-44.89	405.54	4.48	-40.41
CCCC(NC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006130	1	53	0.0	-11.03	406.61	4.32	-6.72
CCCC(NC(=O)C[C@H](CCC)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006131	0	54	-1.0	-52.37	420.17	3.67	-48.69
CCCC(NC(=O)C[C@H](CCC)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006131	1	54	-1.0	-52.36	420.11	3.66	-48.69
CCCC(NC(=O)C[C@H](CCC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006131	1	55	0.0	-15.57	423.54	3.68	-11.89
CCCC(NC(=O)C1CC2CC(NC(=O)OC(C)(C)C)C2C1)C1=NN=N[N-]1	REAL000000006132	0	56	-1.0	-52.83	423.80	5.21	-47.62
CCCC(NC(=O)C1CC2CC(NC(=O)OC(C)(C)C)C2C1)C1=N[N-]N=N1	REAL000000006132	1	56	-1.0	-52.83	423.74	5.21	-47.62
CCCC(NC(=O)C1CC2CC(NC(=O)OC(C)(C)C)C2C1)C1=NNN=N1	REAL000000006132	1	57	0.0	-13.41	431.75	4.34	-9.07
CCCC(NC(=O)C1=CC(Cl)=C(N)C=C1F)C1=NN=N[N-]1	REAL000000006133	0	34	-1.0	-48.85	308.19	2.18	-46.67
CCCC(NC(=O)C1=CC(Cl)=C(N)C=C1F)C1=N[N-]N=N1	REAL000000006133	1	34	-1.0	-48.85	308.13	2.18	-46.67
CCCC(NC(=O)C1=CC(Cl)=C(N)C=C1F)C1=NNN=N1	REAL000000006133	1	35	0.0	-12.45	311.57	2.20	-10.26
CCCC(NC(=O)CC1=CSC(NC(C)C(C)CC)=N1)C1=NN=N[N-]1	REAL000000006134	0	51	-1.0	-52.77	411.14	4.84	-47.93
CCCC(NC(=O)CC1=CSC(NC(C)C(C)CC)=N1)C1=N[N-]N=N1	REAL000000006134	1	51	-1.0	-52.77	411.08	4.84	-47.93
CCCC(NC(=O)CC1=CSC(NC(C)C(C)CC)=N1)C1=NNN=N1	REAL000000006134	1	52	0.0	-14.43	414.53	4.84	-9.58
CCCC(NC(=O)C=CC1=CC=C2OCC(=O)NC2=C1)C1=NN=N[N-]1	REAL000000006135	0	42	-1.0	-49.73	359.60	2.07	-47.66
CCCC(NC(=O)C=CC1=CC=C2OCC(=O)NC2=C1)C1=N[N-]N=N1	REAL000000006135	1	42	-1.0	-49.73	359.55	2.07	-47.66
CCCC(NC(=O)C=CC1=CC=C2OCC(=O)NC2=C1)C1=NNN=N1	REAL000000006135	1	43	0.0	-15.73	362.98	2.08	-13.65
CCCC(NC(=O)C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006136	0	55	-1.0	-50.74	409.46	5.55	-45.18
CCCC(NC(=O)C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006136	1	55	-1.0	-50.74	409.41	5.55	-45.19
CCCC(NC(=O)C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006136	1	56	0.0	-10.91	412.77	5.56	-5.35
CCCC(NC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@@H]21)C1=NN=N[N-]1	REAL000000006137	0	53	-1.0	-46.76	418.55	3.76	-43.00
CCCC(NC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@@H]21)C1=N[N-]N=N1	REAL000000006137	1	53	-1.0	-46.76	418.49	3.75	-43.02
CCCC(NC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@@H]21)C1=NNN=N1	REAL000000006137	1	54	0.0	-9.45	414.86	3.45	-6.00
CCCC(NC(=O)C1CC2(CC2C(=O)OCC)C1)C1=NN=N[N-]1	REAL000000006138	0	45	-1.0	-44.81	373.06	5.56	-39.25
CCCC(NC(=O)C1CC2(CC2C(=O)OCC)C1)C1=N[N-]N=N1	REAL000000006138	1	45	-1.0	-44.81	373.00	5.56	-39.25
CCCC(NC(=O)C1CC2(CC2C(=O)OCC)C1)C1=NNN=N1	REAL000000006138	1	46	0.0	-10.56	376.44	5.57	-4.99
CCCC(NC(=O)CCC1=CC=C(C(=O)OC)N1)C1=NN=N[N-]1	REAL000000006139	0	42	-1.0	-46.35	362.07	3.42	-42.94
CCCC(NC(=O)CCC1=CC=C(C(=O)OC)N1)C1=N[N-]N=N1	REAL000000006139	1	42	-1.0	-46.35	362.02	3.41	-42.94
CCCC(NC(=O)CCC1=CC=C(C(=O)OC)N1)C1=NNN=N1	REAL000000006139	1	43	0.0	-14.01	365.45	3.43	-10.59
CCCC(NC(=O)C(F)(F)C1=CC=C(Cl)N=C1)C1=NN=N[N-]1	REAL000000006140	0	34	-1.0	-43.00	320.43	3.05	-39.95
CCCC(NC(=O)C(F)(F)C1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL000000006140	1	34	-1.0	-42.99	320.37	3.05	-39.94
CC#CCC(NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=NN=N[N-]1	REAL000000006141	0	50	-1.0	-43.61	401.91	3.23	-40.38
CC#CCC(NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=N[N-]N=N1	REAL000000006141	1	50	-1.0	-43.61	401.86	3.23	-40.38
CC#CCC(NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=NNN=N1	REAL000000006141	1	51	0.0	-11.61	404.68	3.22	-8.39
CCCC(NC(=O)CCCC1CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000006142	0	55	-1.0	-50.97	437.40	5.28	-45.69
CCCC(NC(=O)CCCC1CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000006142	1	55	-1.0	-50.97	437.34	5.27	-45.69
CCCC(NC(=O)CCCC1CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006142	1	56	0.0	-17.18	440.78	5.29	-11.89
CCCC(NC(=O)C1=C(C)N(C)C(CNC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000006143	0	56	-1.0	-49.91	446.29	3.96	-45.95
CCCC(NC(=O)C1=C(C)N(C)C(CNC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000006143	1	56	-1.0	-49.91	446.24	3.95	-45.96
CCCC(NC(=O)C1=C(C)N(C)C(CNC(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000006143	1	57	0.0	-10.72	442.48	3.64	-7.08
CCCC(NC(=O)C(CCCNC(=O)OC(C)(C)C)NC(N)=O)C1=NN=N[N-]1	REAL000000006144	0	57	-1.0	-66.98	452.62	-0.61	-67.59
CCCC(NC(=O)C(CCCNC(=O)OC(C)(C)C)NC(N)=O)C1=N[N-]N=N1	REAL000000006144	1	57	-1.0	-66.97	452.56	-0.61	-67.59
CCCC(NC(=O)C(CCCNC(=O)OC(C)(C)C)NC(N)=O)C1=NNN=N1	REAL000000006144	1	58	0.0	-25.89	456.00	-0.60	-26.50
CCCC(NC(=O)C1=C(OC)C(Cl)=C(Cl)S1)C1=NN=N[N-]1	REAL000000006145	0	33	-1.0	-44.24	329.29	4.12	-40.12
CCCC(NC(=O)C1=C(OC)C(Cl)=C(Cl)S1)C1=N[N-]N=N1	REAL000000006145	1	33	-1.0	-44.24	329.23	4.11	-40.13
CCCC(NC(=O)C1=C(OC)C(Cl)=C(Cl)S1)C1=NNN=N1	REAL000000006145	1	34	0.0	-10.24	332.67	4.13	-6.11
CCCC(NC(=O)C1=CC=C(N2CCC(COC)C2)C=C1)C1=NN=N[N-]1	REAL000000006146	0	51	-1.0	-46.20	405.66	3.84	-42.36
CCCC(NC(=O)C1=CC=C(N2CCC(COC)C2)C=C1)C1=N[N-]N=N1	REAL000000006146	1	51	-1.0	-46.20	405.60	3.83	-42.37
CCCC(NC(=O)C1=CC=C(N2CCC(COC)C2)C=C1)C1=NNN=N1	REAL000000006146	1	52	0.0	-11.07	409.04	3.85	-7.23
CCCC(NC(=O)C1CC12CCC(NC(=O)OC(C)(C)C)CC2)C1=NN=N[N-]1	REAL000000006147	0	59	-1.0	-54.38	453.78	5.05	-49.33
CCCC(NC(=O)C1CC12CCC(NC(=O)OC(C)(C)C)CC2)C1=N[N-]N=N1	REAL000000006147	1	59	-1.0	-54.38	453.72	5.04	-49.34
CCCC(NC(=O)C1CC12CCC(NC(=O)OC(C)(C)C)CC2)C1=NNN=N1	REAL000000006147	1	60	0.0	-15.63	457.16	5.06	-10.57
CCCC(NC(=O)CC(C(F)F)N1C=CC=N1)C1=NN=N[N-]1	REAL000000006148	0	38	-1.0	-48.55	325.46	3.25	-45.31
CCCC(NC(=O)CC(C(F)F)N1C=CC=N1)C1=N[N-]N=N1	REAL000000006148	1	38	-1.0	-48.55	325.41	3.24	-45.31
CCCC(NC(=O)CC(C(F)F)N1C=CC=N1)C1=NNN=N1	REAL000000006148	1	39	0.0	-10.95	328.60	2.93	-8.02
CCCC(NC(=O)CN1C=NC2=C1N=C(N)NC2=O)C1=NN=N[N-]1	REAL000000006149	0	39	-1.0	-60.85	341.33	2.51	-58.34
CCCC(NC(=O)CN1C=NC2=C1N=C(N)NC2=O)C1=N[N-]N=N1	REAL000000006149	1	39	-1.0	-60.85	341.27	2.51	-58.33
CCCC(NC(=O)CN1C=NC2=C1N=C(N)NC2=O)C1=NNN=N1	REAL000000006149	1	40	0.0	-28.86	344.71	2.52	-26.33
CCCC(NC(=O)C1=CC(NCC2=CC=CC=C2)=CC=N1)C1=NN=N[N-]1	REAL000000006150	0	46	-1.0	-48.34	388.20	4.54	-43.80
CCCC(NC(=O)C1=CC(NCC2=CC=CC=C2)=CC=N1)C1=N[N-]N=N1	REAL000000006150	1	46	-1.0	-48.34	388.15	4.53	-43.81
CCCC(NC(=O)C1=CC(NCC2=CC=CC=C2)=CC=N1)C1=NNN=N1	REAL000000006150	1	47	0.0	-8.91	384.40	4.21	-4.70
C=CCCC(NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=NN=N[N-]1	REAL000000006151	0	52	-1.0	-42.29	410.88	3.21	-39.08
C=CCCC(NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=N[N-]N=N1	REAL000000006151	1	52	-1.0	-42.29	410.82	3.20	-39.09
C=CCCC(NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=NNN=N1	REAL000000006151	1	53	0.0	-9.69	414.25	3.21	-6.47
CCCC(NC(=O)C(CC1=NC=CS1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006152	0	51	-1.0	-46.15	412.74	1.60	-44.56
CCCC(NC(=O)C(CC1=NC=CS1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006152	1	51	-1.0	-46.15	412.68	1.60	-44.55
CCCC(NC(=O)C(CC1=NC=CS1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006152	1	52	0.0	-11.06	416.35	1.62	-9.44
CCCC[C@H](CC(=O)NC(CCC)C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL000000006153	0	57	-1.0	-50.44	441.67	4.46	-45.98
CCCC[C@H](CC(=O)NC(CCC)C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL000000006153	1	57	-1.0	-50.44	441.61	4.46	-45.98
CCCC[C@H](CC(=O)NC(CCC)C1=NNN=N1)NC(=O)OC(C)(C)C	REAL000000006153	1	58	0.0	-15.49	445.04	4.46	-11.02
CCCC(NC(=O)C[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006154	0	57	-1.0	-51.71	454.13	3.68	-48.03
CCCC(NC(=O)C[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006154	1	57	-1.0	-51.71	454.07	3.68	-48.03
CCCC(NC(=O)C[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006154	1	58	0.0	-12.58	449.97	3.57	-9.01
CCCC(NC(=O)C1=CSC(C2=C(Cl)C=CC=C2Cl)=N1)C1=NN=N[N-]1	REAL000000006155	0	38	-1.0	-49.97	364.32	5.64	-44.34
CCCC(NC(=O)C1=CSC(C2=C(Cl)C=CC=C2Cl)=N1)C1=N[N-]N=N1	REAL000000006155	1	38	-1.0	-49.97	364.26	5.64	-44.33
CCCC(NC(=O)C1=CSC(C2=C(Cl)C=CC=C2Cl)=N1)C1=NNN=N1	REAL000000006155	1	39	0.0	-9.97	360.52	5.32	-4.65
CCCC(NC(=O)C1=NN2CC(C)NC(=O)C2=C1)C1=NN=N[N-]1	REAL000000006156	0	40	-1.0	-55.15	338.78	-0.23	-55.38
CCCC(NC(=O)C1=NN2CC(C)NC(=O)C2=C1)C1=N[N-]N=N1	REAL000000006156	1	40	-1.0	-55.15	338.72	-0.23	-55.38
CCCC(NC(=O)C1=NN2CC(C)NC(=O)C2=C1)C1=NNN=N1	REAL000000006156	1	41	0.0	-16.89	343.21	-0.30	-17.19
CCCC(NC(=O)C1=CC=C(CNC(=O)OC(C)(C)C)S1)C1=NN=N[N-]1	REAL000000006157	0	49	-1.0	-47.11	414.83	3.22	-43.89
CCCC(NC(=O)C1=CC=C(CNC(=O)OC(C)(C)C)S1)C1=N[N-]N=N1	REAL000000006157	1	49	-1.0	-47.12	414.77	3.22	-43.90
CCCC(NC(=O)C1=CC=C(CNC(=O)OC(C)(C)C)S1)C1=NNN=N1	REAL000000006157	1	50	0.0	-9.80	411.02	2.89	-6.91
CCCC[C@@H](CC(=O)NC(CCC)C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL000000006158	0	57	-1.0	-52.35	441.67	4.45	-47.90
CCCC[C@@H](CC(=O)NC(CCC)C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL000000006158	1	57	-1.0	-52.35	441.61	4.45	-47.90
CCCC[C@@H](CC(=O)NC(CCC)C1=NNN=N1)NC(=O)OC(C)(C)C	REAL000000006158	1	58	0.0	-15.49	445.04	4.46	-11.03
CCCC(NC(=O)C(C#N)C1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000006159	0	56	-1.0	-47.90	438.82	5.40	-42.50
CCCC(NC(=O)C(C#N)C1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000006159	1	56	-1.0	-47.89	438.76	5.40	-42.49
CCCC(NC(=O)C(C#N)C1CCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000006159	1	57	0.0	-12.86	442.24	5.42	-7.45
CCCC(NC(=O)C1=CC=C2C(=C1)C=CS2(=O)=O)C1=NN=N[N-]1	REAL000000006160	0	37	-1.0	-49.60	330.29	1.28	-48.32
CCCC(NC(=O)C1=CC=C2C(=C1)C=CS2(=O)=O)C1=N[N-]N=N1	REAL000000006160	1	37	-1.0	-49.60	330.23	1.27	-48.33
CCCC(NC(=O)C1=CC=C2C(=C1)C=CS2(=O)=O)C1=NNN=N1	REAL000000006160	1	38	0.0	-17.24	333.66	1.29	-15.95
CCCC(NC(=O)C1=NC(Br)=C2CCCCN12)C1=NN=N[N-]1	REAL000000006161	0	39	-1.0	-45.37	339.95	4.22	-41.14
CCCC(NC(=O)C1=NC(Br)=C2CCCCN12)C1=N[N-]N=N1	REAL000000006161	1	39	-1.0	-45.37	339.89	4.22	-41.14
CCCC(NC(=O)C1=NC(Br)=C2CCCCN12)C1=NNN=N1	REAL000000006161	1	40	0.0	-8.60	336.13	3.90	-4.69
CCCC(NC(=O)C1=CC(OC)=C(Cl)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000006162	0	38	-1.0	-41.38	343.71	4.06	-37.32
CCCC(NC(=O)C1=CC(OC)=C(Cl)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000006162	1	38	-1.0	-41.38	343.65	4.05	-37.33
CCCC(NC(=O)C1=CC(OC)=C(Cl)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000006162	1	39	0.0	-11.44	347.09	4.06	-7.39
CCCC(NC(=O)CC(C(F)F)N1C=CN=C1)C1=NN=N[N-]1	REAL000000006163	0	38	-1.0	-49.04	326.73	4.40	-44.64
CCCC(NC(=O)CC(C(F)F)N1C=CN=C1)C1=N[N-]N=N1	REAL000000006163	1	38	-1.0	-49.03	326.68	4.39	-44.64
CCCC(NC(=O)C1=CC=C2N=C(C3CCCO3)OC2=C1)C1=NN=N[N-]1	REAL000000006164	0	45	-1.0	-49.59	374.81	1.57	-48.01
CCCC(NC(=O)C1=CC=C2N=C(C3CCCO3)OC2=C1)C1=N[N-]N=N1	REAL000000006164	1	45	-1.0	-49.58	374.75	1.57	-48.02
CCCC(NC(=O)C1=CC=C2N=C(C3CCCO3)OC2=C1)C1=NNN=N1	REAL000000006164	1	46	0.0	-12.47	371.00	1.25	-11.22
CCCC(NC(=O)C(O)CC1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000006165	0	39	-1.0	-45.55	363.58	4.05	-41.49
CCCC(NC(=O)C(O)CC1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000006165	1	39	-1.0	-45.54	363.52	4.05	-41.50
CCCC(NC(=O)C(O)CC1=CC(Cl)=CC(Cl)=C1)C1=NNN=N1	REAL000000006165	1	40	0.0	-11.59	366.95	4.07	-7.52
CCCC(NC(=O)C(O)C1=CC=CC2=C1OCC2)C1=NN=N[N-]1	REAL000000006166	0	41	-1.0	-46.08	338.47	2.50	-43.58
CCCC(NC(=O)C(O)C1=CC=CC2=C1OCC2)C1=N[N-]N=N1	REAL000000006166	1	41	-1.0	-46.09	338.41	2.50	-43.59
CCCC(NC(=O)C(O)C1=CC=CC2=C1OCC2)C1=NNN=N1	REAL000000006166	1	42	0.0	-11.29	341.85	2.51	-8.78
CCCC(NC(=O)C1=C2N=CC=CC2=C(F)C=C1)C1=NN=N[N-]1	REAL000000006167	0	37	-1.0	-52.88	319.04	4.49	-48.38
CCCC(NC(=O)C1=C2N=CC=CC2=C(F)C=C1)C1=N[N-]N=N1	REAL000000006167	1	37	-1.0	-52.87	318.98	4.49	-48.38
CCCC(NC(=O)C1=C2N=CC=CC2=C(F)C=C1)C1=NNN=N1	REAL000000006167	1	38	0.0	-15.94	322.42	4.50	-11.44
CCCC(NC(=O)C1=NN(CC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000006168	0	35	-1.0	-53.80	319.26	2.79	-51.00
CCCC(NC(=O)C1=NN(CC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000006168	1	35	-1.0	-53.79	319.20	2.78	-51.01
CCCC(NC(=O)C1=NN(CC(F)(F)F)C=C1)C1=NNN=N1	REAL000000006168	1	36	0.0	-15.72	322.64	2.80	-12.92
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(OC(F)F)C=C1)C1=NN=N[N-]1	REAL000000006169	0	43	-1.0	-48.65	366.13	5.24	-43.41
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(OC(F)F)C=C1)C1=N[N-]N=N1	REAL000000006169	1	43	-1.0	-48.65	366.08	5.24	-43.41
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(OC(F)F)C=C1)C1=NNN=N1	REAL000000006169	1	44	0.0	-12.69	369.52	5.25	-7.43
CCCC(NC(=O)C1=CC=C(NC(=O)CC2=CC=CN=C2)C=C1)C1=NN=N[N-]1	REAL000000006170	0	48	-1.0	-54.70	405.77	4.55	-50.14
CCCC(NC(=O)C1=CC=C(NC(=O)CC2=CC=CN=C2)C=C1)C1=N[N-]N=N1	REAL000000006170	1	48	-1.0	-54.69	405.71	4.55	-50.14
CCCC(NC(=O)C1=CC=C(NC(=O)CC2=CC=CN=C2)C=C1)C1=NNN=N1	REAL000000006170	1	49	0.0	-22.38	409.13	4.56	-17.82
CCCC(NC(=O)C1=NN2C=CC=C(Br)C2=C1)C1=NN=N[N-]1	REAL000000006171	0	35	-1.0	-51.32	326.65	3.89	-47.43
CCCC(NC(=O)C1=NN2C=CC=C(Br)C2=C1)C1=N[N-]N=N1	REAL000000006171	1	35	-1.0	-51.32	326.59	3.88	-47.44
CCCC(NC(=O)C1=NN2C=CC=C(Br)C2=C1)C1=NNN=N1	REAL000000006171	1	36	0.0	-11.69	322.85	3.57	-8.12
CCCC(NC(=O)C1=NC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL000000006172	0	31	-1.0	-43.41	300.87	2.94	-40.46
CCCC(NC(=O)C1=NC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL000000006172	1	31	-1.0	-43.40	300.81	2.94	-40.46
CCCC(NC(=O)C1=NC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000006172	1	32	0.0	-8.50	304.25	2.95	-5.55
CCCC(NC(=O)C1=CN=C(C2=CC=CC=C2OC)S1)C1=NN=N[N-]1	REAL000000006183	0	42	-1.0	-49.63	368.40	4.29	-45.33
CCCC(NC(=O)C1=CN=C(C2=CC=CC=C2OC)S1)C1=N[N-]N=N1	REAL000000006183	1	42	-1.0	-49.63	368.34	4.28	-45.35
CCCC(NC(=O)C1=CN=C(C2=CC=CC=C2OC)S1)C1=NNN=N1	REAL000000006183	1	43	0.0	-14.21	371.77	4.30	-9.91
CCCC(NC(=O)CC1CCCC2=C1N=C(C)O2)C1=NN=N[N-]1	REAL000000006184	0	44	-1.0	-54.61	353.20	3.13	-51.49
CCCC(NC(=O)CC1CCCC2=C1N=C(C)O2)C1=N[N-]N=N1	REAL000000006184	1	44	-1.0	-54.61	353.15	3.12	-51.49
CCCC(NC(=O)CC1CCCC2=C1N=C(C)O2)C1=NNN=N1	REAL000000006184	1	45	0.0	-15.56	356.59	3.13	-12.43
CCCC(NC(=O)CNC(=O)C1=C2C=CNC2=CC=C1)C1=NN=N[N-]1	REAL000000006185	0	43	-1.0	-49.83	362.42	2.16	-47.68
CCCC(NC(=O)CNC(=O)C1=C2C=CNC2=CC=C1)C1=N[N-]N=N1	REAL000000006185	1	43	-1.0	-49.83	362.36	2.16	-47.68
CCCC(NC(=O)CNC(=O)C1=C2C=CNC2=CC=C1)C1=NNN=N1	REAL000000006185	1	44	0.0	-16.25	365.80	2.17	-14.08
CCCCCC1=CC=CC(CC(=O)NC(CCC)C2=NN=N[N-]2)=C1	REAL000000006186	0	50	-1.0	-46.16	406.36	8.09	-38.06
CCCCCC1=CC=CC(CC(=O)NC(CCC)C2=N[N-]N=N2)=C1	REAL000000006186	1	50	-1.0	-46.16	406.31	8.10	-38.06
CCCCCC1=CC=CC(CC(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000006186	1	51	0.0	-11.11	409.74	8.11	-3.01
CCCC(NC(=O)C1COC2=C(F)C=C(F)C=C2C1)C1=NN=N[N-]1	REAL000000006187	0	40	-1.0	-42.68	341.49	4.31	-38.36
CCCC(NC(=O)C1COC2=C(F)C=C(F)C=C2C1)C1=N[N-]N=N1	REAL000000006187	1	40	-1.0	-42.67	341.43	4.31	-38.36
CCCC(NC(=O)C1COC2=C(F)C=C(F)C=C2C1)C1=NNN=N1	REAL000000006187	1	41	0.0	-10.51	344.80	4.33	-6.18
CCCC(NC(=O)[C@H]1C[C@]1(C(=O)OCC)C(C)C)C1=NN=N[N-]1	REAL000000006188	0	47	-1.0	-51.33	384.50	5.55	-45.78
CCCC(NC(=O)[C@H]1C[C@]1(C(=O)OCC)C(C)C)C1=N[N-]N=N1	REAL000000006188	1	47	-1.0	-51.33	384.44	5.54	-45.79
CCCC(NC(=O)[C@H]1C[C@]1(C(=O)OCC)C(C)C)C1=NNN=N1	REAL000000006188	1	48	0.0	-13.00	380.70	5.22	-7.78
CCCCC1=NC=C(C(=O)NC(CCC)C2=NN=N[N-]2)S1	REAL000000006189	0	40	-1.0	-44.99	347.19	3.86	-41.13
CCCCC1=NC=C(C(=O)NC(CCC)C2=N[N-]N=N2)S1	REAL000000006189	1	40	-1.0	-44.98	347.13	3.85	-41.14
CCCCC1=NC=C(C(=O)NC(CCC)C2=NNN=N2)S1	REAL000000006189	1	41	0.0	-10.63	350.56	3.86	-6.77
CCCC(NC(=O)C1=CN=C(COC(C)(C)C)S1)C1=NN=N[N-]1	REAL000000006190	0	44	-1.0	-46.12	373.28	2.69	-43.43
CCCC(NC(=O)C1=CN=C(COC(C)(C)C)S1)C1=N[N-]N=N1	REAL000000006190	1	44	-1.0	-46.12	373.22	2.70	-43.42
CCCC(NC(=O)C1=CN=C(COC(C)(C)C)S1)C1=NNN=N1	REAL000000006190	1	45	0.0	-11.60	376.65	2.70	-8.90
CCCC(NC(=O)C1=CC2=CC=C([N+](=O)[O-])C(C)=C2N1)C1=NN=N[N-]1	REAL000000006191	0	41	-1.0	-43.69	354.20	4.87	-38.82
CCCC(NC(=O)C1=CC2=CC=C([N+](=O)[O-])C(C)=C2N1)C1=N[N-]N=N1	REAL000000006191	1	41	-1.0	-43.68	354.14	4.87	-38.81
CCCC(NC(=O)C1=CC2=CC=C([N+](=O)[O-])C(C)=C2N1)C1=NNN=N1	REAL000000006191	1	42	0.0	-10.44	350.33	4.54	-5.89
CCCC(NC(=O)C1=NN(C2=CC(F)=CC(OC)=C2)C=C1)C1=NN=N[N-]1	REAL000000006192	0	43	-1.0	-48.95	371.68	4.19	-44.76
CCCC(NC(=O)C1=NN(C2=CC(F)=CC(OC)=C2)C=C1)C1=N[N-]N=N1	REAL000000006192	1	43	-1.0	-48.96	371.62	4.19	-44.77
CCCC(NC(=O)C1=NN(C2=CC(F)=CC(OC)=C2)C=C1)C1=NNN=N1	REAL000000006192	1	44	0.0	-12.12	375.05	4.20	-7.92
CCCC(NC(=O)C(CCC1=CC=CC=C1)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000006193	0	54	-1.0	-49.31	429.63	9.64	-39.67
CCCC(NC(=O)C(CCC1=CC=CC=C1)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000006193	1	54	-1.0	-49.30	429.57	9.65	-39.65
CCCC(NC(=O)C(CCC1=CC=CC=C1)CC1=CC=CC=C1)C1=NNN=N1	REAL000000006193	1	55	0.0	-10.25	424.52	9.69	-0.55
CCCC(NC(=O)C1=CC2=C(N(C)C)C=CC=C2S1)C1=NN=N[N-]1	REAL000000006194	0	43	-1.0	-48.44	367.77	4.54	-43.90
CCCC(NC(=O)C1=CC2=C(N(C)C)C=CC=C2S1)C1=N[N-]N=N1	REAL000000006194	1	43	-1.0	-48.44	367.71	4.54	-43.90
CCCC(NC(=O)C1=CC2=C(N(C)C)C=CC=C2S1)C1=NNN=N1	REAL000000006194	1	44	0.0	-11.28	371.15	4.55	-6.72
CCCC(NC(=O)C1C2CC1(C1=CC=NC=C1)CC2)C1=NN=N[N-]1	REAL000000006195	0	45	-1.0	-47.81	355.26	5.26	-42.55
CCCC(NC(=O)C1C2CC1(C1=CC=NC=C1)CC2)C1=N[N-]N=N1	REAL000000006195	1	45	-1.0	-47.81	355.20	5.26	-42.55
CCCC(NC(=O)C1C2CC1(C1=CC=NC=C1)CC2)C1=NNN=N1	REAL000000006195	1	46	0.0	-11.64	357.91	5.27	-6.37
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL000000006196	0	39	-1.0	-51.35	338.83	5.78	-45.57
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL000000006196	1	39	-1.0	-51.34	338.77	5.77	-45.57
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F)C1=NNN=N1	REAL000000006196	1	40	0.0	-14.47	342.20	5.78	-8.69
CCCC(NC(=O)C1=CC=C(OC)N=C1Cl)C1=NN=N[N-]1	REAL000000006197	0	35	-1.0	-46.65	314.12	0.82	-45.83
CCCC(NC(=O)C1=CC=C(OC)N=C1Cl)C1=N[N-]N=N1	REAL000000006197	1	35	-1.0	-46.65	314.06	0.81	-45.83
CCCC(NC(=O)C1=CC=C(OC)N=C1Cl)C1=NNN=N1	REAL000000006197	1	36	0.0	-9.73	310.30	0.50	-9.22
CCCC(NC(=O)C1=C2N=C(CC)NC2=NC=C1)C1=NN=N[N-]1	REAL000000006198	0	40	-1.0	-57.05	338.16	3.18	-53.87
CCCC(NC(=O)C1=C2N=C(CC)NC2=NC=C1)C1=N[N-]N=N1	REAL000000006198	1	40	-1.0	-57.06	338.10	3.17	-53.89
CCCC(NC(=O)C1=C2N=C(CC)NC2=NC=C1)C1=NNN=N1	REAL000000006198	1	41	0.0	-19.76	341.54	3.18	-16.57
CCCC(NC(=O)C1=C2N=C(CC3CC3)NC2=NC=C1)C1=NN=N[N-]1	REAL000000006199	0	44	-1.0	-57.89	369.47	4.76	-53.13
CCCC(NC(=O)C1=C2N=C(CC3CC3)NC2=NC=C1)C1=N[N-]N=N1	REAL000000006199	1	44	-1.0	-57.89	369.42	4.76	-53.13
CCCC(NC(=O)C1=C2N=C(CC3CC3)NC2=NC=C1)C1=NNN=N1	REAL000000006199	1	45	0.0	-19.71	372.85	4.77	-14.94
CCCC(NC(=O)C(O)C1CCCCCCC1)C1=NN=N[N-]1	REAL000000006200	0	48	-1.0	-44.57	347.80	3.25	-41.32
CCCC(NC(=O)C(O)C1CCCCCCC1)C1=N[N-]N=N1	REAL000000006200	1	48	-1.0	-44.56	347.74	3.24	-41.33
CCCC(NC(=O)C(O)C1CCCCCCC1)C1=NNN=N1	REAL000000006200	1	49	0.0	-6.88	343.85	2.94	-3.95
CCCC(NC(=O)C1=C(Cl)OC(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL000000006201	0	34	-1.0	-47.83	329.32	-2.79	-50.62
CCCC(NC(=O)C1=CC(C)=NC2=C1CCCC2)C1=NN=N[N-]1	REAL000000006202	0	44	-1.0	-45.25	348.37	4.96	-40.29
CCCC(NC(=O)C1=CC(C)=NC2=C1CCCC2)C1=N[N-]N=N1	REAL000000006202	1	44	-1.0	-45.24	348.32	4.95	-40.30
CCCC(NC(=O)C1=CC(C)=NC2=C1CCCC2)C1=NNN=N1	REAL000000006202	1	45	0.0	-10.82	351.75	4.96	-5.86
CCCC(NC(=O)C1CC12C(=O)NC1=CC=CC=C12)C1=NN=N[N-]1	REAL000000006213	0	41	-1.0	-43.12	346.54	3.13	-39.99
CCCC(NC(=O)C1CC12C(=O)NC1=CC=CC=C12)C1=N[N-]N=N1	REAL000000006213	1	41	-1.0	-43.12	346.49	3.12	-40.00
CCCC(NC(=O)C1CC12C(=O)NC1=CC=CC=C12)C1=NNN=N1	REAL000000006213	1	42	0.0	-9.17	343.86	2.78	-6.38
CCCC(NC(=O)C1=CN(C2=CC=C(OC)C=C2)N=N1)C1=NN=N[N-]1	REAL000000006214	0	42	-1.0	-46.33	361.13	2.65	-43.68
CCCC(NC(=O)C1=CN(C2=CC=C(OC)C=C2)N=N1)C1=N[N-]N=N1	REAL000000006214	1	42	-1.0	-46.33	361.07	2.64	-43.69
CCCC(NC(=O)C1=CN(C2=CC=C(OC)C=C2)N=N1)C1=NNN=N1	REAL000000006214	1	43	0.0	-12.20	364.50	2.66	-9.54
CCCC(NC(=O)CN1N=NN=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000006215	0	40	-1.0	-55.14	342.47	3.19	-51.95
CCCC(NC(=O)CN1N=NN=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000006215	1	40	-1.0	-55.13	342.42	3.19	-51.94
CCCC(NC(=O)CN1N=NN=C1C1=CC=CC=C1)C1=NNN=N1	REAL000000006215	1	41	0.0	-18.31	345.81	3.19	-15.11
CCCC(NC(=O)C1=CN=C(C2=CC=CC=N2)N=C1)C1=NN=N[N-]1	REAL000000006216	0	39	-1.0	-49.16	339.58	3.07	-46.09
CCCC(NC(=O)C1=CN=C(C2=CC=CC=N2)N=C1)C1=N[N-]N=N1	REAL000000006216	1	39	-1.0	-49.15	339.52	3.07	-46.08
CCCC(NC(=O)C1=CN=C(C2=CC=CC=N2)N=C1)C1=NNN=N1	REAL000000006216	1	40	0.0	-16.18	342.96	3.08	-13.10
CCCC(NC(=O)CC1CC2=CC(C(F)(F)F)=CC=C2O1)C1=NN=N[N-]1	REAL000000006217	0	43	-1.0	-51.28	373.00	5.49	-45.79
CCCC(NC(=O)CC1CC2=CC(C(F)(F)F)=CC=C2O1)C1=N[N-]N=N1	REAL000000006217	1	43	-1.0	-51.26	372.94	5.49	-45.77
CCCC(NC(=O)CC1CC2=CC(C(F)(F)F)=CC=C2O1)C1=NNN=N1	REAL000000006217	1	44	0.0	-14.86	376.37	5.49	-9.37
CCCC(NC(=O)C1=CC2=C(C=C(C(=O)OC)N2)O1)C1=NN=N[N-]1	REAL000000006218	0	39	-1.0	-44.62	346.66	2.31	-42.31
CCCC(NC(=O)CC1=CC=C(OC)C=C1C)C1=NN=N[N-]1	REAL000000006219	0	42	-1.0	-47.43	345.24	4.11	-43.32
CCCC(NC(=O)CC1=CC=C(OC)C=C1C)C1=N[N-]N=N1	REAL000000006219	1	42	-1.0	-47.43	345.18	4.10	-43.33
CCCC(NC(=O)CC1=CC=C(OC)C=C1C)C1=NNN=N1	REAL000000006219	1	43	0.0	-13.14	348.60	4.11	-9.03
CCCC(NC(=O)C1CC1C1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000006220	0	41	-1.0	-51.28	355.11	6.34	-44.95
CCCC(NC(=O)C1CC1C1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000006220	1	41	-1.0	-51.28	355.05	6.34	-44.94
CCCC(NC(=O)C1CC1C1=CC=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000006220	1	42	0.0	-18.45	358.49	6.35	-12.10
CCCC(NC(=O)C1=CC=C(F)C(C(F)F)=C1)C1=NN=N[N-]1	REAL000000006221	0	35	-1.0	-46.46	310.98	4.54	-41.92
CCCC(NC(=O)C1=CC=C(F)C(C(F)F)=C1)C1=N[N-]N=N1	REAL000000006221	1	35	-1.0	-46.45	310.93	4.53	-41.91
CCCC(NC(=O)C1=CC=C(F)C(C(F)F)=C1)C1=NNN=N1	REAL000000006221	1	36	0.0	-9.49	309.69	4.28	-5.21
CCCC(NC(=O)CCC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL000000006222	0	44	-1.0	-52.23	381.07	2.65	-49.58
CCCC(NC(=O)CCC1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL000000006222	1	44	-1.0	-52.22	381.02	2.65	-49.57
CCCC(NC(=O)CCC1=CC=C(S(C)(=O)=O)C=C1)C1=NNN=N1	REAL000000006222	1	45	0.0	-18.03	384.44	2.66	-15.37
CCCC(NC(=O)C1=CN=C(CC(C)C)S1)C1=NN=N[N-]1	REAL000000006223	0	40	-1.0	-45.01	343.84	3.74	-41.27
CCCC(NC(=O)C1=CN=C(CC(C)C)S1)C1=N[N-]N=N1	REAL000000006223	1	40	-1.0	-45.01	343.79	3.75	-41.27
CCCC(NC(=O)C1=CN=C(CC(C)C)S1)C1=NNN=N1	REAL000000006223	1	41	0.0	-10.61	345.77	3.54	-7.07
CCCC(NC(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006224	0	47	-1.0	-51.71	366.01	5.86	-45.86
CCCC(NC(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006224	1	47	-1.0	-51.71	365.94	5.86	-45.85
CCCC(NC(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006224	1	48	0.0	-11.98	362.44	5.71	-6.27
CCCC(NC(=O)C1=CN=C2CCCC(=O)C2=C1)C1=NN=N[N-]1	REAL000000006225	0	40	-1.0	-52.16	334.60	3.43	-48.73
CCCC(NC(=O)C1=CN=C2CCCC(=O)C2=C1)C1=N[N-]N=N1	REAL000000006225	1	40	-1.0	-52.16	334.54	3.42	-48.74
CCCC(NC(=O)C1=CN=C2CCCC(=O)C2=C1)C1=NNN=N1	REAL000000006225	1	41	0.0	-16.21	337.98	3.44	-12.77
CCCC(NC(=O)C1=CC=C(C(F)F)C(F)=C1)C1=NN=N[N-]1	REAL000000006226	0	35	-1.0	-42.83	313.52	4.60	-38.24
CCCC(NC(=O)C1=CC=C(C(F)F)C(F)=C1)C1=N[N-]N=N1	REAL000000006226	1	35	-1.0	-42.83	313.46	4.60	-38.23
CCCC(NC(=O)C1=CC=C(C(F)F)C(F)=C1)C1=NNN=N1	REAL000000006226	1	36	0.0	-10.57	309.90	4.30	-6.27
CCCC(NC(=O)C1=CSC(C2CCCCC2)=C1)C1=NN=N[N-]1	REAL000000006227	0	45	-1.0	-46.64	370.47	6.67	-39.97
CCCC(NC(=O)C1=CSC(C2CCCCC2)=C1)C1=N[N-]N=N1	REAL000000006227	1	45	-1.0	-46.63	370.41	6.66	-39.98
CCCC(NC(=O)C1=CSC(C2CCCCC2)=C1)C1=NNN=N1	REAL000000006227	1	46	0.0	-10.45	373.86	6.68	-3.77
CCCC(NC(=O)C1=CN=C(CC(C)(C)C)S1)C1=NN=N[N-]1	REAL000000006228	0	43	-1.0	-45.71	359.10	4.10	-41.61
CCCC(NC(=O)C1=CN=C(CC(C)(C)C)S1)C1=N[N-]N=N1	REAL000000006228	1	43	-1.0	-45.71	359.04	4.09	-41.62
CCCC(NC(=O)C1=CN=C(CC(C)(C)C)S1)C1=NNN=N1	REAL000000006228	1	44	0.0	-7.71	355.28	3.77	-3.94
CCCC(NC(=O)C1=CC(C(=O)OC)=CC=C1C)C1=NN=N[N-]1	REAL000000006229	0	41	-1.0	-47.23	345.16	4.98	-42.25
CCCC(NC(=O)C1=CC(C(=O)OC)=CC=C1C)C1=N[N-]N=N1	REAL000000006229	1	41	-1.0	-47.24	345.10	4.98	-42.25
CCCC(NC(=O)C1=CC(C(=O)OC)=CC=C1C)C1=NNN=N1	REAL000000006229	1	42	0.0	-9.46	341.36	4.67	-4.80
CCCC(NC(=O)C1=CC=C2SC=NC2=C1)C1=NN=N[N-]1	REAL000000006230	0	34	-1.0	-50.17	305.36	3.03	-47.13
CCCC(NC(=O)C1=CC=C2SC=NC2=C1)C1=N[N-]N=N1	REAL000000006230	1	34	-1.0	-50.16	305.30	3.03	-47.12
CCCC(NC(=O)C1=CC=C2SC=NC2=C1)C1=NNN=N1	REAL000000006230	1	35	0.0	-14.85	308.74	3.04	-11.81
CCCC(NC(=O)C1=CC(F)=CC(Br)=C1F)C1=NN=N[N-]1	REAL000000006231	0	32	-1.0	-45.27	305.90	4.39	-40.88
CCCC(NC(=O)C1=CC(F)=CC(Br)=C1F)C1=N[N-]N=N1	REAL000000006231	1	32	-1.0	-45.26	305.84	4.39	-40.87
CCCC(NC(=O)C1=CC(F)=CC(Br)=C1F)C1=NNN=N1	REAL000000006231	1	33	0.0	-11.52	309.27	4.40	-7.12
CCCC(NC(=O)C=CC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL000000006232	0	36	-1.0	-48.69	323.14	5.27	-43.42
CCCC(NC(=O)C=CC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL000000006232	1	36	-1.0	-48.69	323.09	5.26	-43.43
CCCC(NC(=O)C=CC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000006232	1	37	0.0	-9.45	319.28	4.95	-4.50
CCCC(NC(=O)C1=CC2=C(C)C=CC(Br)=C2N1)C1=NN=N[N-]1	REAL000000006243	0	39	-1.0	-44.55	350.23	4.81	-39.74
CCCC(NC(=O)C1=CC2=C(C)C=CC(Br)=C2N1)C1=N[N-]N=N1	REAL000000006243	1	39	-1.0	-44.55	350.17	4.81	-39.73
CCCC(NC(=O)C1=CC2=C(C)C=CC(Br)=C2N1)C1=NNN=N1	REAL000000006243	1	40	0.0	-7.50	346.41	4.50	-3.00
CCCC(NC(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006244	0	57	-1.0	-52.83	441.31	4.28	-48.55
CCCC(NC(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006244	1	57	-1.0	-52.83	441.25	4.27	-48.56
CCCC(NC(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006244	1	58	0.0	-14.47	436.98	4.08	-10.38
CCCC(NC(=O)C1=CC(CNC(=O)OC(C)(C)C)=NN1C)C1=NN=N[N-]1	REAL000000006245	0	52	-1.0	-44.83	423.19	1.73	-43.09
CCCC(NC(=O)C1=CC(CNC(=O)OC(C)(C)C)=NN1C)C1=N[N-]N=N1	REAL000000006245	1	52	-1.0	-44.82	423.13	1.72	-43.10
CCCC(NC(=O)C1=CC(CNC(=O)OC(C)(C)C)=NN1C)C1=NNN=N1	REAL000000006245	1	53	0.0	-13.23	426.47	1.74	-11.49
CCCC(NC(=O)C1=NN2CCCCC(=O)C2=C1)C1=NN=N[N-]1	REAL000000006246	0	41	-1.0	-52.13	342.85	2.86	-49.27
CCCC(NC(=O)C1=NN2CCCCC(=O)C2=C1)C1=N[N-]N=N1	REAL000000006246	1	41	-1.0	-52.13	342.79	2.87	-49.27
CCCC(NC(=O)C1=NN2CCCCC(=O)C2=C1)C1=NNN=N1	REAL000000006246	1	42	0.0	-14.92	346.22	2.87	-12.05
CCCC(NC(=O)C1=CC(N2C=CC=C2)=CC=C1Cl)C1=NN=N[N-]1	REAL000000006247	0	40	-1.0	-46.88	347.71	6.96	-39.92
CCCC(NC(=O)C1=CC(N2C=CC=C2)=CC=C1Cl)C1=N[N-]N=N1	REAL000000006247	1	40	-1.0	-46.89	347.66	6.95	-39.94
CCCC(NC(=O)C1=CC(N2C=CC=C2)=CC=C1Cl)C1=NNN=N1	REAL000000006247	1	41	0.0	-11.89	351.09	6.97	-4.92
CCCC(NC(=O)C1=NN(C2=CC=C(F)C(F)=C2)C=C1)C1=NN=N[N-]1	REAL000000006248	0	39	-1.0	-51.33	348.43	4.95	-46.37
CCCC(NC(=O)C1=NN(C2=CC=C(F)C(F)=C2)C=C1)C1=N[N-]N=N1	REAL000000006248	1	39	-1.0	-51.33	348.37	4.94	-46.39
CCCC(NC(=O)C1=NN(C2=CC=C(F)C(F)=C2)C=C1)C1=NNN=N1	REAL000000006248	1	40	0.0	-14.48	351.81	4.97	-9.51
CCCCS(=O)(=O)CC(=O)NC(CCC)C1=NN=N[N-]1	REAL000000006249	0	40	-1.0	-61.66	344.96	0.82	-60.85
CCCCS(=O)(=O)CC(=O)NC(CCC)C1=N[N-]N=N1	REAL000000006249	1	40	-1.0	-61.66	344.90	0.82	-60.85
CCCCS(=O)(=O)CC(=O)NC(CCC)C1=NNN=N1	REAL000000006249	1	41	0.0	-25.27	348.34	0.83	-24.45
CCCC(NC(=O)CC1=CSC(CNC(=O)OC(C)(C)C)=N1)C1=NN=N[N-]1	REAL000000006250	0	51	-1.0	-50.13	430.90	1.97	-48.16
CCCC(NC(=O)CC1=CSC(CNC(=O)OC(C)(C)C)=N1)C1=N[N-]N=N1	REAL000000006250	1	51	-1.0	-50.12	430.85	1.97	-48.16
CCCC(NC(=O)CC1=CSC(CNC(=O)OC(C)(C)C)=N1)C1=NNN=N1	REAL000000006250	1	52	0.0	-17.19	434.29	1.98	-15.21
CCCC(NC(=O)[C@H]1CC=C[C@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000006251	0	53	-1.0	-46.67	415.62	3.70	-42.98
CCCC(NC(=O)[C@H]1CC=C[C@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000006251	1	53	-1.0	-46.67	415.57	3.69	-42.98
CCCC(NC(=O)[C@H]1CC=C[C@H](NC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006251	1	54	0.0	-12.99	419.17	3.69	-9.30
CCCC(NC(=O)C(C)C1=CC=C(I)C=C1)C1=NN=N[N-]1	REAL000000006252	0	38	-1.0	-44.11	342.69	5.96	-38.15
CCCC(NC(=O)C(C)C1=CC=C(I)C=C1)C1=N[N-]N=N1	REAL000000006252	1	38	-1.0	-44.11	342.63	5.96	-38.15
CCCC(NC(=O)C(C)C1=CC=C(I)C=C1)C1=NNN=N1	REAL000000006252	1	39	0.0	-10.92	346.07	5.97	-4.95
CCCC(NC(=O)C1=CC=CC2=C1CCCCC2)C1=NN=N[N-]1	REAL000000006253	0	45	-1.0	-47.05	346.69	6.47	-40.58
CCCC(NC(=O)C1=CC=CC2=C1CCCCC2)C1=N[N-]N=N1	REAL000000006253	1	45	-1.0	-47.05	346.63	6.46	-40.59
CCCC(NC(=O)C1=CC=CC2=C1CCCCC2)C1=NNN=N1	REAL000000006253	1	46	0.0	-7.07	340.75	6.07	-0.99
CCCC(NC(=O)C1=C2C=CC=C(Br)C2=CC=N1)C1=NN=N[N-]1	REAL000000006254	0	37	-1.0	-44.27	331.12	4.67	-39.60
CCCC(NC(=O)C1=C2C=CC=C(Br)C2=CC=N1)C1=N[N-]N=N1	REAL000000006254	1	37	-1.0	-44.27	331.06	4.67	-39.60
CCCC(NC(=O)C1=C2C=CC=C(Br)C2=CC=N1)C1=NNN=N1	REAL000000006254	1	38	0.0	-8.96	334.49	4.68	-4.28
CCCC(NC(=O)C1CCCN(CC(=O)OC(C)(C)C)C1=O)C1=NN=N[N-]1	REAL000000006255	0	54	-1.0	-52.42	425.18	5.62	-46.80
CCCC(NC(=O)C1CCCN(CC(=O)OC(C)(C)C)C1=O)C1=N[N-]N=N1	REAL000000006255	1	54	-1.0	-52.42	425.12	5.62	-46.80
CCCC(NC(=O)C1CCCN(CC(=O)OC(C)(C)C)C1=O)C1=NNN=N1	REAL000000006255	1	55	0.0	-15.46	421.18	5.30	-10.17
CCCC(NC(=O)[C@H](COC)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006256	0	49	-1.0	-46.23	396.07	0.47	-45.76
CCCC(NC(=O)[C@H](COC)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006256	1	49	-1.0	-46.22	396.01	0.46	-45.76
CCCC(NC(=O)[C@H](COC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006256	1	50	0.0	-11.65	399.44	0.48	-11.17
CCCC(NC(=O)C1=CC=C(CC(C)C)S1)C1=NN=N[N-]1	REAL000000006257	0	41	-1.0	-45.39	348.07	5.50	-39.90
CCCC(NC(=O)C1=CC=C(CC(C)C)S1)C1=N[N-]N=N1	REAL000000006257	1	41	-1.0	-45.39	348.01	5.49	-39.91
CCCC(NC(=O)C1=CC=C(CC(C)C)S1)C1=NNN=N1	REAL000000006257	1	42	0.0	-6.66	344.67	5.17	-1.50
CCCC(NC(=O)CCC1=CC=C2OCCCC2=C1)C1=NN=N[N-]1	REAL000000006258	0	46	-1.0	-46.73	374.08	5.74	-40.99
CCCC(NC(=O)CCC1=CC=C2OCCCC2=C1)C1=N[N-]N=N1	REAL000000006258	1	46	-1.0	-46.73	374.03	5.73	-40.99
CCCC(NC(=O)CCC1=CC=C2OCCCC2=C1)C1=NNN=N1	REAL000000006258	1	47	0.0	-11.82	377.46	5.75	-6.07
CCCC(NC(=O)C1=CC(C(=O)C2=CC=CC=C2)=CN1)C1=NN=N[N-]1	REAL000000006259	0	42	-1.0	-56.35	359.39	4.67	-51.68
CCCC(NC(=O)C1=CC(C(=O)C2=CC=CC=C2)=CN1)C1=N[N-]N=N1	REAL000000006259	1	42	-1.0	-56.34	359.34	4.67	-51.67
CCCC(NC(=O)C1=CC(C(=O)C2=CC=CC=C2)=CN1)C1=NNN=N1	REAL000000006259	1	43	0.0	-21.57	362.77	4.68	-16.90
CCCC(NC(=O)C1=CC(=O)C(OCC2=CC=C(F)C=C2)=CO1)C1=NN=N[N-]1	REAL000000006260	0	45	-1.0	-50.21	395.19	5.70	-44.51
CCCC(NC(=O)C1=CC(=O)C(OCC2=CC=C(F)C=C2)=CO1)C1=N[N-]N=N1	REAL000000006260	1	45	-1.0	-50.20	395.13	5.70	-44.50
CCCC(NC(=O)C1=CC(=O)C(OCC2=CC=C(F)C=C2)=CO1)C1=NNN=N1	REAL000000006260	1	46	0.0	-17.47	391.36	5.38	-12.09
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=NN1C)C1=NN=N[N-]1	REAL000000006261	0	42	-1.0	-44.13	360.93	5.01	-39.12
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=NN1C)C1=N[N-]N=N1	REAL000000006261	1	42	-1.0	-44.13	360.87	5.01	-39.12
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=NN1C)C1=NNN=N1	REAL000000006261	1	43	0.0	-9.20	356.22	4.70	-4.50
CCCC(NC(=O)CC(C)(C)NC(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000006262	0	52	-1.0	-48.89	416.87	4.16	-44.73
CCCC(NC(=O)CC(C)(C)NC(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000006262	1	52	-1.0	-48.89	416.81	4.16	-44.73
CCCC(NC(=O)CC(C)(C)NC(=O)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000006262	1	53	0.0	-15.14	420.25	4.17	-10.97
CCCC(NC(=O)C1=CN=C(CNC(=O)OC(C)(C)C)S1)C1=NN=N[N-]1	REAL000000006263	0	48	-1.0	-45.50	409.96	1.28	-44.22
CCCC(NC(=O)C1=CN=C(CNC(=O)OC(C)(C)C)S1)C1=N[N-]N=N1	REAL000000006263	1	48	-1.0	-45.50	409.90	1.27	-44.22
CCCC(NC(=O)C1=CN=C(CNC(=O)OC(C)(C)C)S1)C1=NNN=N1	REAL000000006263	1	49	0.0	-10.06	406.13	0.96	-9.11
CCCC(NC(=O)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006264	0	57	-1.0	-49.47	433.60	4.07	-45.39
CCCC(NC(=O)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006264	1	57	-1.0	-49.47	433.54	4.07	-45.39
CCCC(NC(=O)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006264	1	58	0.0	-11.63	429.79	3.76	-7.87
CCCC(NC(=O)C1=C(C)SC(CNC(=O)OC(C)(C)C)=N1)C1=NN=N[N-]1	REAL000000006265	0	51	-1.0	-47.73	427.08	1.92	-45.81
CCCC(NC(=O)C1=C(C)SC(CNC(=O)OC(C)(C)C)=N1)C1=N[N-]N=N1	REAL000000006265	1	51	-1.0	-47.73	427.02	1.92	-45.81
CCCC(NC(=O)C1=C(C)SC(CNC(=O)OC(C)(C)C)=N1)C1=NNN=N1	REAL000000006265	1	52	0.0	-9.94	423.27	1.61	-8.34
CCCC(NC(=O)C1=C2CN(C(=O)OC(C)(C)C)CCN2N=C1)C1=NN=N[N-]1	REAL000000006266	0	53	-1.0	-54.21	421.91	3.71	-50.49
CCCC(NC(=O)C1=C2CN(C(=O)OC(C)(C)C)CCN2N=C1)C1=N[N-]N=N1	REAL000000006266	1	53	-1.0	-54.21	421.86	3.71	-50.50
CCCC(NC(=O)C1=C2CN(C(=O)OC(C)(C)C)CCN2N=C1)C1=NNN=N1	REAL000000006266	1	54	0.0	-13.04	418.10	3.39	-9.65
CCCC(NC(=O)C1=CCN(C(=O)OC(C)(C)C)CCC1)C1=NN=N[N-]1	REAL000000006267	0	53	-1.0	-53.71	408.81	5.34	-48.37
CCCC(NC(=O)C1=CCN(C(=O)OC(C)(C)C)CCC1)C1=N[N-]N=N1	REAL000000006267	1	53	-1.0	-53.71	408.75	5.33	-48.38
CCCC(NC(=O)C1=CCN(C(=O)OC(C)(C)C)CCC1)C1=NNN=N1	REAL000000006267	1	54	0.0	-15.83	412.16	5.34	-10.49
CCCC(NC(=O)CC1=C(Br)SC=C1)C1=NN=N[N-]1	REAL000000006268	0	32	-1.0	-47.24	308.91	3.94	-43.30
CCCC(NC(=O)CC1=C(Br)SC=C1)C1=N[N-]N=N1	REAL000000006268	1	32	-1.0	-47.23	308.86	3.93	-43.30
CCCC(NC(=O)CC1=C(Br)SC=C1)C1=NNN=N1	REAL000000006268	1	33	0.0	-10.49	312.29	3.95	-6.54
CCCC(NC(=O)C1=CC=C(OC2CC2)C=C1)C1=NN=N[N-]1	REAL000000006269	0	40	-1.0	-46.41	334.81	4.64	-41.77
CCCC(NC(=O)C1=CC=C(OC2CC2)C=C1)C1=N[N-]N=N1	REAL000000006269	1	40	-1.0	-46.41	334.75	4.64	-41.78
CCCC(NC(=O)C1=CC=C(OC2CC2)C=C1)C1=NNN=N1	REAL000000006269	1	41	0.0	-11.24	338.18	4.64	-6.59
CCCC(NC(=O)C(F)(F)C1(O)CCCCCC1)C1=NN=N[N-]1	REAL000000006270	0	45	-1.0	-41.94	345.23	3.39	-38.55
CCCC(NC(=O)C(F)(F)C1(O)CCCCCC1)C1=N[N-]N=N1	REAL000000006270	1	45	-1.0	-41.93	345.17	3.38	-38.55
CCCC(NC(=O)C(F)(F)C1(O)CCCCCC1)C1=NNN=N1	REAL000000006270	1	46	0.0	-6.81	346.13	2.20	-4.60
CCCC(NC(=O)C1=CC=C(C2CC(=O)C2)C=C1)C1=NN=N[N-]1	REAL000000006271	0	41	-1.0	-50.04	342.80	5.35	-44.69
CCCC(NC(=O)C1=CC=C(C2CC(=O)C2)C=C1)C1=N[N-]N=N1	REAL000000006271	1	41	-1.0	-50.04	342.74	5.34	-44.70
CCCC(NC(=O)C1=CC=C(C2CC(=O)C2)C=C1)C1=NNN=N1	REAL000000006271	1	42	0.0	-11.70	338.99	5.02	-6.68
CCCC(NC(=O)CCC1=C2C=CC=CC2=NN1)C1=NN=N[N-]1	REAL000000006272	0	41	-1.0	-46.49	347.27	3.70	-42.78
CCCC(NC(=O)CCC1=C2C=CC=CC2=NN1)C1=N[N-]N=N1	REAL000000006272	1	41	-1.0	-46.48	347.21	3.70	-42.78
CCCC(NC(=O)C1=C(Cl)C([N+](=O)[O-])=NN1)C1=NN=N[N-]1	REAL000000006273	0	31	-1.0	-41.99	299.52	2.27	-39.72
CCCC(NC(=O)C1=C(Cl)C([N+](=O)[O-])=NN1)C1=N[N-]N=N1	REAL000000006273	1	31	-1.0	-41.98	299.47	2.26	-39.72
CCCC(NC(=O)C1=C(Cl)C([N+](=O)[O-])=NN1)C1=NNN=N1	REAL000000006273	1	32	0.0	-10.69	295.72	1.94	-8.75
CCCC(NC(=O)C1=CC=CC(Cl)=C1OC)C1=NN=N[N-]1	REAL000000006274	0	36	-1.0	-48.14	319.55	4.78	-43.36
CCCC(NC(=O)C1=CC=CC(Cl)=C1OC)C1=N[N-]N=N1	REAL000000006274	1	36	-1.0	-48.14	319.49	4.78	-43.36
CCCC(NC(=O)C1=CC=CC(Cl)=C1OC)C1=NNN=N1	REAL000000006274	1	37	0.0	-13.54	322.92	4.79	-8.75
CCCC(NC(=O)C(=O)NC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL000000006275	0	39	-1.0	-42.10	333.21	2.57	-39.53
CCCC(NC(=O)C(=O)NC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL000000006275	1	39	-1.0	-42.10	333.16	2.56	-39.54
CCCC(NC(=O)C(=O)NC1=CC=CC(C)=C1)C1=NNN=N1	REAL000000006275	1	40	0.0	-9.22	336.61	2.58	-6.64
CCCC(NC(=O)C1=C(C(C)C)NC(C(C)C)=C1)C1=NN=N[N-]1	REAL000000006276	0	48	-1.0	-48.75	383.22	5.26	-43.49
CCCC(NC(=O)C1=C(C(C)C)NC(C(C)C)=C1)C1=N[N-]N=N1	REAL000000006276	1	48	-1.0	-48.76	383.16	5.25	-43.50
CCCC(NC(=O)C1=C(C(C)C)NC(C(C)C)=C1)C1=NNN=N1	REAL000000006276	1	49	0.0	-10.28	386.60	5.27	-5.01
CCCC(NC(=O)C1=C2CCCCN2C(C)=N1)C1=NN=N[N-]1	REAL000000006277	0	42	-1.0	-52.50	340.16	4.37	-48.13
CCCC(NC(=O)C1=C2CCCCN2C(C)=N1)C1=N[N-]N=N1	REAL000000006277	1	42	-1.0	-52.50	340.10	4.37	-48.13
CCCC(NC(=O)C1=C2CCCCN2C(C)=N1)C1=NNN=N1	REAL000000006277	1	43	0.0	-13.18	343.54	4.38	-8.80
CCCOC1=CC=C2NC=C(CC(=O)NC(CCC)C3=NN=N[N-]3)C2=C1	REAL000000006278	0	49	-1.0	-50.04	403.79	5.42	-44.62
CCCOC1=CC=C2NC=C(CC(=O)NC(CCC)C3=N[N-]N=N3)C2=C1	REAL000000006278	1	49	-1.0	-50.03	403.73	5.41	-44.62
CCCOC1=CC=C2NC=C(CC(=O)NC(CCC)C3=NNN=N3)C2=C1	REAL000000006278	1	50	0.0	-13.38	400.00	5.10	-8.29
CCCC(NC(=O)C1=CC(C#N)=C2CCCCN12)C1=NN=N[N-]1	REAL000000006279	0	41	-1.0	-48.86	340.17	5.30	-43.56
CCCC(NC(=O)C1=CC(C#N)=C2CCCCN12)C1=N[N-]N=N1	REAL000000006279	1	41	-1.0	-48.86	340.11	5.30	-43.56
CCCC(NC(=O)C1=CC(C#N)=C2CCCCN12)C1=NNN=N1	REAL000000006279	1	42	0.0	-15.06	343.55	5.31	-9.75
CCCC(NC(=O)C1=CC=C(NS(C)(=O)=O)C=C1Cl)C1=NN=N[N-]1	REAL000000006280	0	40	-1.0	-56.26	363.94	0.78	-55.47
CCCC(NC(=O)C1=CC=C(NS(C)(=O)=O)C=C1Cl)C1=N[N-]N=N1	REAL000000006280	1	40	-1.0	-56.27	363.88	0.79	-55.48
CCCC(NC(=O)C1=CC=C(NS(C)(=O)=O)C=C1Cl)C1=NNN=N1	REAL000000006280	1	41	0.0	-18.30	360.13	0.46	-17.84
CCCC(NC(=O)C1=CC(C(=O)OC)=C2CCCCN12)C1=NN=N[N-]1	REAL000000006281	0	46	-1.0	-49.69	373.07	5.47	-44.22
CCCC(NC(=O)C1=CC(C(=O)OC)=C2CCCCN12)C1=N[N-]N=N1	REAL000000006281	1	46	-1.0	-49.69	373.01	5.47	-44.22
CCCC(NC(=O)C1=CC(C(=O)OC)=C2CCCCN12)C1=NNN=N1	REAL000000006281	1	47	0.0	-15.29	376.44	5.48	-9.81
CCCC(NC(=O)C1CCC2=NNC(=O)N2C1)C1=NN=N[N-]1	REAL000000006282	0	39	-1.0	-50.00	324.01	1.47	-48.52
CCCC(NC(=O)C1CCC2=NNC(=O)N2C1)C1=N[N-]N=N1	REAL000000006282	1	39	-1.0	-49.99	323.95	1.47	-48.52
CCCC(NC(=O)C1CCC2=NNC(=O)N2C1)C1=NNN=N1	REAL000000006282	1	40	0.0	-13.59	320.21	1.15	-12.45
CCCC(NC(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2)C1=NN=N[N-]1	REAL000000006293	0	38	-1.0	-46.59	337.51	1.39	-45.20
CCCC(NC(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2)C1=N[N-]N=N1	REAL000000006293	1	38	-1.0	-46.59	337.45	1.39	-45.20
CCCC(NC(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2)C1=NNN=N1	REAL000000006293	1	39	0.0	-13.77	340.88	1.40	-12.37
CCCC(NC(=O)C1=CC=C(OC(F)(F)F)C=C1F)C1=NN=N[N-]1	REAL000000006294	0	36	-1.0	-46.06	324.79	3.53	-42.54
CCCC(NC(=O)C1=CC=C(OC(F)(F)F)C=C1F)C1=N[N-]N=N1	REAL000000006294	1	36	-1.0	-46.06	324.73	3.53	-42.54
CCCC(NC(=O)C1=CC=C(OC(F)(F)F)C=C1F)C1=NNN=N1	REAL000000006294	1	37	0.0	-11.93	328.16	3.53	-8.40
CCCC(NC(=O)C1=CC(N2C=CC=C2)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000006295	0	43	-1.0	-43.96	374.24	7.45	-36.51
CCCC(NC(=O)C1=CC(N2C=CC=C2)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000006295	1	43	-1.0	-43.95	374.18	7.45	-36.50
CCCC(NC(=O)C1=CC(N2C=CC=C2)=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000006295	1	44	0.0	-10.64	377.62	7.46	-3.19
CCCC(NC(=O)C(=O)C1=CC=C(F)C(F)=C1F)C1=NN=N[N-]1	REAL000000006296	0	34	-1.0	-38.12	312.01	3.68	-34.44
CCCC(NC(=O)C(=O)C1=CC=C(F)C(F)=C1F)C1=N[N-]N=N1	REAL000000006296	1	34	-1.0	-38.11	311.95	3.68	-34.43
CCCC(NC(=O)C(=O)C1=CC=C(F)C(F)=C1F)C1=NNN=N1	REAL000000006296	1	35	0.0	-8.65	308.19	3.37	-5.28
CCCC(NC(=O)CCC1=CC=C(CO)C=C1)C1=NN=N[N-]1	REAL000000006297	0	42	-1.0	-47.58	353.19	2.44	-45.14
CCCC(NC(=O)CCC1=CC=C(CO)C=C1)C1=N[N-]N=N1	REAL000000006297	1	42	-1.0	-47.58	353.13	2.43	-45.15
CCCC(NC(=O)CCC1=CC=C(CO)C=C1)C1=NNN=N1	REAL000000006297	1	43	0.0	-9.93	349.38	2.12	-7.81
CCCC(NC(=O)C1=NN2C=C(CCO)C=NC2=N1)C1=NN=N[N-]1	REAL000000006298	0	40	-1.0	-55.03	349.62	1.86	-53.17
CCCC(NC(=O)C1=NN2C=C(CCO)C=NC2=N1)C1=N[N-]N=N1	REAL000000006298	1	40	-1.0	-55.03	349.57	1.86	-53.17
CCCC(NC(=O)C1=NN2C=C(CCO)C=NC2=N1)C1=NNN=N1	REAL000000006298	1	41	0.0	-18.55	353.00	1.87	-16.68
CCCC(NC(=O)C1=NN2C(=C1)N=CC=C2C(F)(F)F)C1=NN=N[N-]1	REAL000000006299	0	37	-1.0	-52.30	339.77	3.32	-48.98
CCCC(NC(=O)C1=NN2C(=C1)N=CC=C2C(F)(F)F)C1=N[N-]N=N1	REAL000000006299	1	37	-1.0	-52.30	339.71	3.32	-48.98
CCCC(NC(=O)C1=NN2C(=C1)N=CC=C2C(F)(F)F)C1=NNN=N1	REAL000000006299	1	38	0.0	-15.43	343.15	3.33	-12.10
CCCC(NC(=O)C1=C(Br)C=NS1)C1=NN=N[N-]1	REAL000000006300	0	28	-1.0	-42.00	280.17	1.90	-40.10
CCCC(NC(=O)C1=C(Br)C=NS1)C1=N[N-]N=N1	REAL000000006300	1	28	-1.0	-41.99	280.11	1.89	-40.10
CCCC(NC(=O)C1=C(Br)C=NS1)C1=NNN=N1	REAL000000006300	1	29	0.0	-6.79	276.34	1.58	-5.21
CCCC(NC(=O)C1=C2C=NC=CN2C(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL000000006301	0	37	-1.0	-45.87	337.50	3.20	-42.67
CCCC(NC(=O)C1=C2C=NC=CN2C(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL000000006301	1	37	-1.0	-45.87	337.44	3.19	-42.67
CCCC(NC(=O)C1=C2C=NC=CN2C(C(F)(F)F)=N1)C1=NNN=N1	REAL000000006301	1	38	0.0	-10.58	340.85	3.21	-7.37
CCCC(NC(=O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000006302	0	56	-1.0	-44.17	425.81	3.30	-40.87
CCCC(NC(=O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000006302	1	56	-1.0	-44.17	425.75	3.30	-40.87
CCCC(NC(=O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000006302	1	57	0.0	-11.89	429.19	3.31	-8.58
CCCC(NC(=O)C1=NC(C2=CC=CC(C(F)(F)F)=C2)=CS1)C1=NN=N[N-]1	REAL000000006303	0	41	-1.0	-55.40	378.98	5.36	-50.03
CCCC(NC(=O)C1=NC(C2=CC=CC(C(F)(F)F)=C2)=CS1)C1=N[N-]N=N1	REAL000000006303	1	41	-1.0	-55.40	378.92	5.36	-50.04
CCCC(NC(=O)C1=NC(C2=CC=CC(C(F)(F)F)=C2)=CS1)C1=NNN=N1	REAL000000006303	1	42	0.0	-18.69	382.36	5.37	-13.32
CCCC(NC(=O)CC1(O)CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000006304	0	53	-1.0	-52.45	414.88	2.16	-50.30
CCCC(NC(=O)CC1(O)CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000006304	1	53	-1.0	-52.45	414.82	2.16	-50.29
CCCC(NC(=O)CC1(O)CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006304	1	54	0.0	-17.43	418.20	1.80	-15.63
CCCC(NC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000006305	0	50	-1.0	-48.44	400.98	1.77	-46.67
CCCC(NC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000006305	1	50	-1.0	-48.43	400.93	1.76	-46.68
CCCC(NC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006305	1	51	0.0	-18.62	404.49	1.74	-16.88
C#CCO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=NN=N[N-]1	REAL000000006306	0	54	-1.0	-44.54	440.31	3.16	-41.37
C#CCO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=N[N-]N=N1	REAL000000006306	1	54	-1.0	-44.54	440.25	3.15	-41.39
C#CCO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=NNN=N1	REAL000000006306	1	55	0.0	-10.55	443.81	3.17	-7.39
CCCC(NC(=O)C[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006307	0	54	-1.0	-47.31	431.98	3.20	-44.11
CCCC(NC(=O)C[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006307	1	54	-1.0	-47.31	431.92	3.19	-44.12
CCCC(NC(=O)C[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006307	1	55	0.0	-11.16	428.18	2.88	-8.28
CCCC(NC(=O)C1(F)CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000006308	0	52	-1.0	-47.79	408.38	4.57	-43.23
CCCC(NC(=O)C1(F)CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000006308	1	52	-1.0	-47.79	408.32	4.57	-43.23
CCCC(NC(=O)C1(F)CCCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006308	1	53	0.0	-12.19	411.76	4.58	-7.61
CCCC(NC(=O)C[C@H]1CCCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006309	0	55	-1.0	-50.79	409.85	5.55	-45.24
CCCC(NC(=O)C[C@H]1CCCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006309	1	55	-1.0	-50.79	409.80	5.55	-45.24
CCCC(NC(=O)C[C@H]1CCCCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006309	1	56	0.0	-8.73	410.54	5.14	-3.59
CCCC(NC(=O)C1=C2NCCC(C(F)(F)F)N2N=C1)C1=NN=N[N-]1	REAL000000006310	0	41	-1.0	-47.48	350.42	2.36	-45.12
CCCC(NC(=O)C1=C2NCCC(C(F)(F)F)N2N=C1)C1=N[N-]N=N1	REAL000000006310	1	41	-1.0	-47.48	350.36	2.35	-45.12
CCCC(NC(=O)C1=C2NCCC(C(F)(F)F)N2N=C1)C1=NNN=N1	REAL000000006310	1	42	0.0	-13.90	353.80	2.37	-11.53
CCCC(NC(=O)C1=NC(NC(C)C)=NC=C1Br)C1=NN=N[N-]1	REAL000000006311	0	41	-1.0	-43.52	362.24	4.48	-39.03
CCCC(NC(=O)C1=NC(NC(C)C)=NC=C1Br)C1=N[N-]N=N1	REAL000000006311	1	41	-1.0	-43.52	362.19	4.48	-39.04
CCCC(NC(=O)C1=NC(NC(C)C)=NC=C1Br)C1=NNN=N1	REAL000000006311	1	42	0.0	-8.85	365.62	4.50	-4.36
CCCC(NC(=O)C1C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1)C1=NN=N[N-]1	REAL000000006312	0	56	-1.0	-52.25	428.38	4.35	-47.90
CCCC(NC(=O)C1C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1)C1=N[N-]N=N1	REAL000000006312	1	56	-1.0	-52.25	428.32	4.35	-47.90
CCCC(NC(=O)C1C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1)C1=NNN=N1	REAL000000006312	1	57	0.0	-13.49	431.84	4.35	-9.13
C#CC1=CC=CC(NC(=O)CC(=O)NC(CCC)C2=NN=N[N-]2)=C1	REAL000000006323	0	41	-1.0	-62.11	357.64	5.18	-56.93
C#CC1=CC=CC(NC(=O)CC(=O)NC(CCC)C2=N[N-]N=N2)=C1	REAL000000006323	1	41	-1.0	-62.11	357.58	5.17	-56.94
C#CC1=CC=CC(NC(=O)CC(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000006323	1	42	0.0	-25.25	361.02	5.19	-20.06
CCCC(NC(=O)C(F)(F)C(O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000006324	0	39	-1.0	-42.90	335.71	3.55	-39.36
CCCC(NC(=O)C(F)(F)C(O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000006324	1	39	-1.0	-42.90	335.65	3.54	-39.36
CCCC(NC(=O)C(F)(F)C(O)C1=CC=CC=C1)C1=NNN=N1	REAL000000006324	1	40	0.0	-9.44	340.17	2.63	-6.81
CCCC(NC(=O)CC1(NC(=O)OC(C)(C)C)COC1)C1=NN=N[N-]1	REAL000000006325	0	50	-1.0	-50.57	393.21	1.62	-48.95
CCCC(NC(=O)CC1(NC(=O)OC(C)(C)C)COC1)C1=N[N-]N=N1	REAL000000006325	1	50	-1.0	-50.56	393.15	1.61	-48.96
CCCC(NC(=O)CC1(NC(=O)OC(C)(C)C)COC1)C1=NNN=N1	REAL000000006325	1	51	0.0	-13.80	401.15	1.15	-12.65
CCCC(NC(=O)C1=CC(Br)=CC(N2C=CC=C2)=C1)C1=NN=N[N-]1	REAL000000006326	0	40	-1.0	-44.54	356.50	7.06	-37.48
CCCC(NC(=O)C1=CC(Br)=CC(N2C=CC=C2)=C1)C1=N[N-]N=N1	REAL000000006326	1	40	-1.0	-44.54	356.44	7.05	-37.48
CCCC(NC(=O)C1=CC(Br)=CC(N2C=CC=C2)=C1)C1=NNN=N1	REAL000000006326	1	41	0.0	-7.70	352.67	6.74	-0.96
CCCC(NC(=O)C12CC(C(=O)OC(C)(C)C)(C1)C2)C1=NN=N[N-]1	REAL000000006327	0	48	-1.0	-46.70	387.45	5.91	-40.79
CCCC(NC(=O)C12CC(C(=O)OC(C)(C)C)(C1)C2)C1=N[N-]N=N1	REAL000000006327	1	48	-1.0	-46.70	387.39	5.91	-40.80
CCCC(NC(=O)C12CC(C(=O)OC(C)(C)C)(C1)C2)C1=NNN=N1	REAL000000006327	1	49	0.0	-12.91	390.83	5.93	-6.98
CCCC(NC(=O)C1=NN(C)C(Cl)=C1C(F)(F)F)C1=NN=N[N-]1	REAL000000006328	0	35	-1.0	-47.33	328.07	2.80	-44.53
CCCC(NC(=O)C1=NN(C)C(Cl)=C1C(F)(F)F)C1=N[N-]N=N1	REAL000000006328	1	35	-1.0	-47.33	328.02	2.80	-44.53
CCCC(NC(=O)C1=NN(C)C(Cl)=C1C(F)(F)F)C1=NNN=N1	REAL000000006328	1	36	0.0	-12.00	331.42	2.81	-9.19
CCCC(NC(=O)CN1CCCC(C(F)(F)F)C1=O)C1=NN=N[N-]1	REAL000000006329	0	42	-1.0	-56.56	355.46	3.59	-52.97
CCCC(NC(=O)CN1CCCC(C(F)(F)F)C1=O)C1=N[N-]N=N1	REAL000000006329	1	42	-1.0	-56.55	355.41	3.58	-52.97
CCCC(NC(=O)CN1CCCC(C(F)(F)F)C1=O)C1=NNN=N1	REAL000000006329	1	43	0.0	-15.32	358.84	3.60	-11.72
CCCC(NC(=O)C1=CC=C2CCNC(=O)C2=C1)C1=NN=N[N-]1	REAL000000006330	0	40	-1.0	-60.00	333.93	2.10	-57.89
CCCC(NC(=O)C1=CC=C2CCNC(=O)C2=C1)C1=N[N-]N=N1	REAL000000006330	1	40	-1.0	-60.00	333.87	2.10	-57.89
CCCC(NC(=O)C1=CC=C2CCNC(=O)C2=C1)C1=NNN=N1	REAL000000006330	1	41	0.0	-17.94	330.11	1.79	-16.14
CCCC(NC(=O)C1=CN=C2C=NN(C)C2=C1)C1=NN=N[N-]1	REAL000000006331	0	37	-1.0	-45.20	318.51	1.70	-43.50
CCCC(NC(=O)C1=CN=C2C=NN(C)C2=C1)C1=N[N-]N=N1	REAL000000006331	1	37	-1.0	-45.19	318.45	1.69	-43.50
CCCC(NC(=O)C1=CN=C2C=NN(C)C2=C1)C1=NNN=N1	REAL000000006331	1	38	0.0	-12.76	321.88	1.71	-11.05
CCCC(NC(=O)C1=C2C=NC=CC2=CC(C)=C1)C1=NN=N[N-]1	REAL000000006332	0	40	-1.0	-51.66	331.47	4.75	-46.91
CCCC(NC(=O)C1=C2C=NC=CC2=CC(C)=C1)C1=N[N-]N=N1	REAL000000006332	1	40	-1.0	-51.66	331.41	4.74	-46.92
CCCC(NC(=O)C1=C2C=NC=CC2=CC(C)=C1)C1=NNN=N1	REAL000000006332	1	41	0.0	-14.67	334.85	4.76	-9.91
CCCC(NC(=O)CCOCCOC(C)(C)C)C1=NN=N[N-]1	REAL000000006333	0	48	-1.0	-45.07	384.28	2.80	-42.28
CCCC(NC(=O)CCOCCOC(C)(C)C)C1=N[N-]N=N1	REAL000000006333	1	48	-1.0	-45.07	384.22	2.79	-42.28
CCCC(NC(=O)CCOCCOC(C)(C)C)C1=NNN=N1	REAL000000006333	1	49	0.0	-10.91	387.65	2.80	-8.11
CCCC(NC(=O)C1=NN2C=C(Br)C=CC2=C1)C1=NN=N[N-]1	REAL000000006334	0	35	-1.0	-46.81	326.94	3.90	-42.91
CCCC(NC(=O)C1=NN2C=C(Br)C=CC2=C1)C1=N[N-]N=N1	REAL000000006334	1	35	-1.0	-46.81	326.88	3.89	-42.92
CCCC(NC(=O)C1=NN2C=C(Br)C=CC2=C1)C1=NNN=N1	REAL000000006334	1	36	0.0	-10.76	330.31	3.91	-6.85
CCCC(NC(=O)C1=CC2=C(CCC(C(C)C)C2)S1)C1=NN=N[N-]1	REAL000000006335	0	48	-1.0	-46.09	386.08	7.02	-39.07
CCCC(NC(=O)C1=CC2=C(CCC(C(C)C)C2)S1)C1=N[N-]N=N1	REAL000000006335	1	48	-1.0	-46.10	386.03	7.02	-39.08
CCCC(NC(=O)C1=CC2=C(CCC(C(C)C)C2)S1)C1=NNN=N1	REAL000000006335	1	49	0.0	-9.66	389.44	7.03	-2.64
CCCC(NC(=O)C1=CC2=C(C)C=C(Br)C=C2N1)C1=NN=N[N-]1	REAL000000006336	0	39	-1.0	-43.51	350.17	4.83	-38.69
CCCC(NC(=O)C1=CC2=C(C)C=C(Br)C=C2N1)C1=N[N-]N=N1	REAL000000006336	1	39	-1.0	-43.51	350.12	4.83	-38.68
CCCC(NC(=O)C1=CC2=C(C)C=C(Br)C=C2N1)C1=NNN=N1	REAL000000006336	1	40	0.0	-10.28	353.53	4.84	-5.44
CCCC(NC(=O)CCC1=CNC(C(=O)OC)=C1)C1=NN=N[N-]1	REAL000000006337	0	42	-1.0	-48.27	362.04	3.55	-44.72
CCCC(NC(=O)CCC1=CNC(C(=O)OC)=C1)C1=N[N-]N=N1	REAL000000006337	1	42	-1.0	-48.26	361.98	3.55	-44.71
CCCC(NC(=O)CCC1=CNC(C(=O)OC)=C1)C1=NNN=N1	REAL000000006337	1	43	0.0	-16.35	365.41	3.56	-12.79
CCCC(NC(=O)C1CCCC(NC2=CN=CC=N2)C1)C1=NN=N[N-]1	REAL000000006338	0	48	-1.0	-49.11	382.38	2.95	-46.16
CCCC(NC(=O)C1CCCC(NC2=CN=CC=N2)C1)C1=N[N-]N=N1	REAL000000006338	1	48	-1.0	-49.10	382.32	2.94	-46.16
CCCC(NC(=O)C1CCCC(NC2=CN=CC=N2)C1)C1=NNN=N1	REAL000000006338	1	49	0.0	-13.91	385.76	2.96	-10.95
CCCC(NC(=O)C1=CC=C(NC2=NC=CC=N2)C=C1)C1=NN=N[N-]1	REAL000000006339	0	42	-1.0	-51.17	356.10	6.19	-44.98
CCCC(NC(=O)C1=CC=C(NC2=NC=CC=N2)C=C1)C1=N[N-]N=N1	REAL000000006339	1	42	-1.0	-51.17	356.04	6.20	-44.98
CCCC(NC(=O)C1=CC=C(NC2=NC=CC=N2)C=C1)C1=NNN=N1	REAL000000006339	1	43	0.0	-11.88	352.27	5.87	-6.00
CCCC(NC(=O)C(C1=CSC=N1)N(C)C)C1=NN=N[N-]1	REAL000000006340	0	39	-1.0	-48.38	334.41	0.54	-47.84
CCCC(NC(=O)C(C1=CSC=N1)N(C)C)C1=N[N-]N=N1	REAL000000006340	1	39	-1.0	-48.38	334.35	0.53	-47.85
CCCC(NC(=O)C(C1=CSC=N1)N(C)C)C1=NNN=N1	REAL000000006340	1	40	0.0	-9.97	330.05	0.27	-9.69
CCCC(NC(=O)CC1=CC(Br)=CC(C)=N1)C1=NN=N[N-]1	REAL000000006341	0	37	-1.0	-50.32	335.39	3.92	-46.40
CCCC(NC(=O)CC1=CC(Br)=CC(C)=N1)C1=N[N-]N=N1	REAL000000006341	1	37	-1.0	-50.33	335.34	3.92	-46.40
CCCC(NC(=O)CC1=CC(Br)=CC(C)=N1)C1=NNN=N1	REAL000000006341	1	38	0.0	-10.15	331.64	3.59	-6.57
CCCC(NC(=O)C1=CC=C2CCC(=O)NC2=C1)C1=NN=N[N-]1	REAL000000006342	0	40	-1.0	-51.70	334.19	2.83	-48.87
CCCC(NC(=O)C1=CC=C2CCC(=O)NC2=C1)C1=N[N-]N=N1	REAL000000006342	1	40	-1.0	-51.69	334.13	2.83	-48.87
CCCC(NC(=O)C1=CC=C2CCC(=O)NC2=C1)C1=NNN=N1	REAL000000006342	1	41	0.0	-16.85	337.56	2.83	-14.02
C=CCCCC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000006353	0	45	-1.0	-47.10	373.05	7.19	-39.90
C=CCCCC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000006353	1	45	-1.0	-47.08	372.99	7.19	-39.89
C=CCCCC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000006353	1	46	0.0	-10.78	376.42	7.20	-3.58
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000006354	0	42	-1.0	-45.40	370.86	5.44	-39.96
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000006354	1	42	-1.0	-45.41	370.80	5.43	-39.98
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C(F)(F)F)=C1)C1=NNN=N1	REAL000000006354	1	43	0.0	-10.13	374.23	5.45	-4.68
CCCC(NC(=O)C1=CC=CC(C(=O)N2CCCCC2)=C1)C1=NN=N[N-]1	REAL000000006355	0	49	-1.0	-58.17	390.47	5.61	-52.57
CCCC(NC(=O)C1=CC=CC(C(=O)N2CCCCC2)=C1)C1=N[N-]N=N1	REAL000000006355	1	49	-1.0	-58.18	390.41	5.61	-52.57
CCCC(NC(=O)C1=CC=CC(C(=O)N2CCCCC2)=C1)C1=NNN=N1	REAL000000006355	1	50	0.0	-20.68	393.85	5.61	-15.06
CCCCCCCSC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000006356	0	54	-1.0	-45.68	443.36	9.46	-36.22
CCCCCCCSC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000006356	1	54	-1.0	-45.66	443.30	9.45	-36.21
CCCCCCCSC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000006356	1	55	0.0	-10.90	446.73	9.46	-1.43
CCCC(NC(=O)C1CCC2(CC2(F)F)CC1)C1=NN=N[N-]1	REAL000000006357	0	42	-1.0	-53.81	336.87	5.18	-48.63
CCCC(NC(=O)C1CCC2(CC2(F)F)CC1)C1=N[N-]N=N1	REAL000000006357	1	42	-1.0	-53.82	336.82	5.18	-48.63
CCCC(NC(=O)C1CCC2(CC2(F)F)CC1)C1=NNN=N1	REAL000000006357	1	43	0.0	-8.20	339.66	5.04	-3.16
CCCC(NC(=O)CN1CCCC2(CC2)S1(=O)=O)C1=NN=N[N-]1	REAL000000006358	0	44	-1.0	-56.49	367.45	1.47	-55.02
CCCC(NC(=O)CN1CCCC2(CC2)S1(=O)=O)C1=N[N-]N=N1	REAL000000006358	1	44	-1.0	-56.50	367.39	1.46	-55.04
CCCC(NC(=O)CN1CCCC2(CC2)S1(=O)=O)C1=NNN=N1	REAL000000006358	1	45	0.0	-20.10	370.95	1.48	-18.63
CCCC(NC(=O)C1=CC(C(=O)OCC)=NN1)C1=NN=N[N-]1	REAL000000006359	0	38	-1.0	-45.03	334.93	1.60	-43.42
CCCC(NC(=O)C1=CC(C(=O)OCC)=NN1)C1=N[N-]N=N1	REAL000000006359	1	38	-1.0	-45.02	334.87	1.60	-43.42
CCCC(NC(=O)C1=CC(C(=O)OCC)=NN1)C1=NNN=N1	REAL000000006359	1	39	0.0	-10.73	331.11	1.28	-9.44
CCCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000006360	0	48	0.0	-60.49	378.08	6.47	-54.02
CCCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000006360	1	48	0.0	-59.97	379.55	6.57	-53.40
CCCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000006360	1	48	0.0	-60.48	378.02	6.47	-54.01
CCCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000006360	1	48	0.0	-59.95	379.49	6.58	-53.38
CCCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000006360	1	49	1.0	-42.27	381.13	6.48	-35.79
CCCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000006360	1	49	1.0	-42.48	382.92	6.60	-35.89
CCCC(NC(=O)C(O)C1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000006361	0	56	-1.0	-43.59	428.89	2.41	-41.18
CCCC(NC(=O)C(O)C1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000006361	1	56	-1.0	-43.59	428.83	2.41	-41.18
CCCC(NC(=O)C(O)C1CCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000006361	1	57	0.0	-11.90	426.90	2.93	-8.97
CCCC(NC(=O)C1=CC=C(C2(O)COC2)C=C1)C1=NN=N[N-]1	REAL000000006362	0	41	-1.0	-48.14	340.18	0.70	-47.44
CCCC(NC(=O)C1=CC=C(C2(O)COC2)C=C1)C1=N[N-]N=N1	REAL000000006362	1	41	-1.0	-48.14	340.12	0.70	-47.44
CCCC(NC(=O)C1=CC=C(C2(O)COC2)C=C1)C1=NNN=N1	REAL000000006362	1	42	0.0	-13.42	343.55	0.71	-12.72
CCCC(NC(=O)CCC1=CN=CC(Br)=C1)C1=NN=N[N-]1	REAL000000006373	0	37	-1.0	-44.02	336.55	3.95	-40.07
CCCC(NC(=O)CCC1=CN=CC(Br)=C1)C1=N[N-]N=N1	REAL000000006373	1	37	-1.0	-44.02	336.49	3.94	-40.08
CCCC(NC(=O)CCC1=CN=CC(Br)=C1)C1=NNN=N1	REAL000000006373	1	38	0.0	-10.78	339.92	3.95	-6.83
CCCC(NC(=O)C1=CC(F)=CC(OC(F)F)=C1)C1=NN=N[N-]1	REAL000000006374	0	36	-1.0	-44.94	319.99	3.29	-41.65
CCCC(NC(=O)C1=CC(F)=CC(OC(F)F)=C1)C1=N[N-]N=N1	REAL000000006374	1	36	-1.0	-44.94	319.94	3.28	-41.66
CCCC(NC(=O)C1=CC(F)=CC(OC(F)F)=C1)C1=NNN=N1	REAL000000006374	1	37	0.0	-11.68	323.37	3.30	-8.38
CCCCCCCCC1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000006375	0	56	-1.0	-46.63	446.23	9.78	-36.85
CCCCCCCCC1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000006375	1	56	-1.0	-46.62	446.17	9.78	-36.84
CCCCCCCCC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000006375	1	57	0.0	-10.44	449.61	9.79	-0.65
CCCC(NC(=O)C1C2CC1(C1=CC=CN=C1)CC2)C1=NN=N[N-]1	REAL000000006376	0	45	-1.0	-49.56	360.34	5.34	-44.22
CCCC(NC(=O)C1C2CC1(C1=CC=CN=C1)CC2)C1=N[N-]N=N1	REAL000000006376	1	45	-1.0	-49.57	360.28	5.33	-44.24
CCCC(NC(=O)C1C2CC1(C1=CC=CN=C1)CC2)C1=NNN=N1	REAL000000006376	1	46	0.0	-12.20	363.71	5.35	-6.85
CCCC(NC(=O)C1=CC(C(C)(C)C)=CN=C1Cl)C1=NN=N[N-]1	REAL000000006377	0	43	-1.0	-46.60	358.51	4.62	-41.98
CCCC(NC(=O)C1=CC(C(C)(C)C)=CN=C1Cl)C1=N[N-]N=N1	REAL000000006377	1	43	-1.0	-46.60	358.46	4.62	-41.98
CCCC(NC(=O)C1=CC(C(C)(C)C)=CN=C1Cl)C1=NNN=N1	REAL000000006377	1	44	0.0	-12.40	361.89	4.63	-7.77
CCCC(NC(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C1=NN=N[N-]1	REAL000000006378	0	42	-1.0	-55.54	354.61	5.37	-50.17
CCCC(NC(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C1=N[N-]N=N1	REAL000000006378	1	42	-1.0	-55.53	354.55	5.37	-50.17
CCCC(NC(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C1=NNN=N1	REAL000000006378	1	43	0.0	-21.57	357.99	5.38	-16.19
CCCC(NC(=O)C1=CC(C2=C(F)C=CC=C2F)=NO1)C1=NN=N[N-]1	REAL000000006379	0	38	-1.0	-46.77	340.80	4.76	-42.01
CCCC(NC(=O)C1=CC(C2=C(F)C=CC=C2F)=NO1)C1=N[N-]N=N1	REAL000000006379	1	38	-1.0	-46.77	340.75	4.76	-42.01
CCCC(NC(=O)C1=CC(C2=C(F)C=CC=C2F)=NO1)C1=NNN=N1	REAL000000006379	1	39	0.0	-12.77	344.18	4.77	-8.01
CCCCNC(=O)CSC1=CC=NC(C(=O)NC(CCC)C2=NN=N[N-]2)=C1	REAL000000006380	0	51	-1.0	-56.88	435.99	3.75	-53.13
CCCCNC(=O)CSC1=CC=NC(C(=O)NC(CCC)C2=N[N-]N=N2)=C1	REAL000000006380	1	51	-1.0	-56.88	435.93	3.74	-53.14
CCCCNC(=O)CSC1=CC=NC(C(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000006380	1	52	0.0	-19.40	439.36	3.76	-15.64
CCCC(NC(=O)C1=CC(NC(N)=O)=CC=C1Cl)C1=NN=N[N-]1	REAL000000006381	0	38	-1.0	-57.49	336.17	0.25	-57.24
CCCC(NC(=O)C1=CC(NC(N)=O)=CC=C1Cl)C1=N[N-]N=N1	REAL000000006381	1	38	-1.0	-57.49	336.11	0.24	-57.25
CCCC(NC(=O)C1=CC(NC(N)=O)=CC=C1Cl)C1=NNN=N1	REAL000000006381	1	39	0.0	-16.16	339.55	0.26	-15.90
CCCC(NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006382	0	49	-1.0	-53.15	394.86	-0.64	-53.79
CCCC(NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006382	1	49	-1.0	-53.16	394.80	-0.64	-53.79
CCCC(NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006382	1	50	0.0	-16.74	398.41	-0.75	-17.49
CCCC(NC(=O)C1=CC(C2CCOCC2)=NN1C)C1=NN=N[N-]1	REAL000000006383	0	46	-1.0	-44.05	369.49	2.74	-41.31
CCCC(NC(=O)C1=CC(C2CCOCC2)=NN1C)C1=N[N-]N=N1	REAL000000006383	1	46	-1.0	-44.05	369.43	2.75	-41.30
CCCC(NC(=O)C1=CC(C2CCOCC2)=NN1C)C1=NNN=N1	REAL000000006383	1	47	0.0	-8.51	365.76	2.41	-6.09
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C=C1C)C1=NN=N[N-]1	REAL000000006384	0	42	-1.0	-55.01	358.66	5.65	-49.36
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C=C1C)C1=N[N-]N=N1	REAL000000006384	1	42	-1.0	-55.01	358.60	5.65	-49.36
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C=C1C)C1=NNN=N1	REAL000000006384	1	43	0.0	-15.35	362.04	5.66	-9.69
CCCC(NC(=O)C1=NN2C=CNC(=O)C2=C1)C1=NN=N[N-]1	REAL000000006385	0	35	-1.0	-56.25	310.27	0.29	-55.96
CCCC(NC(=O)C1=NN2C=CNC(=O)C2=C1)C1=N[N-]N=N1	REAL000000006385	1	35	-1.0	-56.26	310.22	0.29	-55.96
CCCC(NC(=O)C1=NN2C=CNC(=O)C2=C1)C1=NNN=N1	REAL000000006385	1	36	0.0	-19.46	313.65	0.30	-19.16
CCCC(NC(=O)C1=CN=CC(C(=O)OC)=C1C)C1=NN=N[N-]1	REAL000000006386	0	40	-1.0	-46.35	334.80	3.06	-43.29
CCCC(NC(=O)C1=CN=CC(C(=O)OC)=C1C)C1=N[N-]N=N1	REAL000000006386	1	40	-1.0	-46.35	334.74	3.06	-43.29
CCCC(NC(=O)C1=CN=CC(C(=O)OC)=C1C)C1=NNN=N1	REAL000000006386	1	41	0.0	-12.61	338.16	3.07	-9.54
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C(C)=C1)C1=NN=N[N-]1	REAL000000006387	0	42	-1.0	-53.76	362.64	5.40	-48.36
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C(C)=C1)C1=N[N-]N=N1	REAL000000006387	1	42	-1.0	-53.76	362.59	5.41	-48.36
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C(C)=C1)C1=NNN=N1	REAL000000006387	1	43	0.0	-15.29	366.03	5.41	-9.88
CCCC(NC(=O)C1CCC(NC(C)=O)CC1)C1=NN=N[N-]1	REAL000000006388	0	45	-1.0	-50.03	359.77	2.25	-47.78
CCCC(NC(=O)C1CCC(NC(C)=O)CC1)C1=N[N-]N=N1	REAL000000006388	1	45	-1.0	-50.03	359.73	2.24	-47.78
CCCC(NC(=O)C1CCC(NC(C)=O)CC1)C1=NNN=N1	REAL000000006388	1	46	0.0	-14.08	356.27	1.92	-12.15
CCCC(NC(=O)C1=CC=C(C(=O)N(C)C)N=C1)C1=NN=N[N-]1	REAL000000006389	0	41	-1.0	-45.74	342.68	2.62	-43.12
CCCC(NC(=O)C1=CC=C(C(=O)N(C)C)N=C1)C1=N[N-]N=N1	REAL000000006389	1	41	-1.0	-45.74	342.62	2.61	-43.13
CCCC(NC(=O)C1=CC=C(C(=O)N(C)C)N=C1)C1=NNN=N1	REAL000000006389	1	42	0.0	-11.26	339.60	2.43	-8.83
CCCC(NC(=O)C1=C(C)C(=O)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL000000006390	0	40	-1.0	-45.08	339.61	4.62	-40.46
CCCC(NC(=O)C1=C(C)C(=O)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL000000006390	1	40	-1.0	-45.07	339.55	4.61	-40.46
CCCC(NC(=O)C1=C(C)C(=O)C2=CC=CC=C2O1)C1=NNN=N1	REAL000000006390	1	41	0.0	-13.18	343.03	4.61	-8.57
CCCC(NC(=O)C1=CC(NC(=O)NC)=CC=C1Cl)C1=NN=N[N-]1	REAL000000006391	0	41	-1.0	-57.67	358.10	1.69	-55.98
CCCC(NC(=O)C1=CC(NC(=O)NC)=CC=C1Cl)C1=N[N-]N=N1	REAL000000006391	1	41	-1.0	-57.68	358.04	1.69	-55.99
CCCC(NC(=O)C1=CC(NC(=O)NC)=CC=C1Cl)C1=NNN=N1	REAL000000006391	1	42	0.0	-14.53	354.30	1.37	-13.16
CCCC(NC(=O)C1=CC=C(C)C(OC(F)F)=C1)C1=NN=N[N-]1	REAL000000006392	0	39	-1.0	-52.93	333.64	3.97	-48.96
CCCC(NC(=O)C1=CC=C(C)C(OC(F)F)=C1)C1=N[N-]N=N1	REAL000000006392	1	39	-1.0	-52.93	333.58	3.97	-48.95
CCCC(NC(=O)C1=CC=C(C)C(OC(F)F)=C1)C1=NNN=N1	REAL000000006392	1	40	0.0	-16.03	337.02	3.98	-12.05
CCCC(NC(=O)C1=C(C)C(C(F)(F)F)=NN1)C1=NN=N[N-]1	REAL000000006403	0	35	-1.0	-41.18	313.70	1.73	-39.45
CCCC(NC(=O)C1=C(C)C(C(F)(F)F)=NN1)C1=N[N-]N=N1	REAL000000006403	1	35	-1.0	-41.18	313.64	1.72	-39.46
CCCC(NC(=O)C1=C(C)C(C(F)(F)F)=NN1)C1=NNN=N1	REAL000000006403	1	36	0.0	-10.50	317.07	1.74	-8.76
CCCC(NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006404	0	46	-1.0	-48.56	375.90	-0.95	-49.52
CCCC(NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006404	1	46	-1.0	-48.56	375.84	-0.96	-49.52
CCCC(NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006404	1	47	0.0	-13.74	379.28	-0.94	-14.68
CCCC(NC(=O)C1=COC(C2CN(C(=O)OC(C)(C)C)C2)=N1)C1=NN=N[N-]1	REAL000000006405	0	52	-1.0	-48.12	430.53	1.38	-46.74
CCCC(NC(=O)C1=COC(C2CN(C(=O)OC(C)(C)C)C2)=N1)C1=N[N-]N=N1	REAL000000006405	1	52	-1.0	-48.11	430.47	1.38	-46.74
CCCC(NC(=O)C1=COC(C2CN(C(=O)OC(C)(C)C)C2)=N1)C1=NNN=N1	REAL000000006405	1	53	0.0	-14.45	433.91	1.38	-13.07
CCCC(NC(=O)C1=CSC(C2=CNC=N2)=N1)C1=NN=N[N-]1	REAL000000006406	0	35	-1.0	-56.23	322.90	1.98	-54.25
CCCC(NC(=O)C1=CSC(C2=CNC=N2)=N1)C1=N[N-]N=N1	REAL000000006406	1	35	-1.0	-56.23	322.84	1.98	-54.25
CCCC(NC(=O)C1=CSC(C2=CNC=N2)=N1)C1=NNN=N1	REAL000000006406	1	36	0.0	-17.26	326.27	1.99	-15.27
CCCC(NC(=O)CC1=NC(C(F)(F)F)=CS1)C1=NN=N[N-]1	REAL000000006407	0	34	-1.0	-45.46	324.71	2.48	-42.98
CCCC(NC(=O)CC1=NC(C(F)(F)F)=CS1)C1=N[N-]N=N1	REAL000000006407	1	34	-1.0	-45.46	324.65	2.48	-42.98
CCCC(NC(=O)CC1=NC(C(F)(F)F)=CS1)C1=NNN=N1	REAL000000006407	1	35	0.0	-13.85	327.78	2.45	-11.40
CCCC(NC(=O)C1=CC=C(C(=O)OC)C=C1C)C1=NN=N[N-]1	REAL000000006408	0	41	-1.0	-46.09	345.13	4.99	-41.10
CCCC(NC(=O)C1=CC=C(C(=O)OC)C=C1C)C1=N[N-]N=N1	REAL000000006408	1	41	-1.0	-46.09	345.07	4.99	-41.10
CCCC(NC(=O)C1=CC=C(C(=O)OC)C=C1C)C1=NNN=N1	REAL000000006408	1	42	0.0	-9.45	341.31	4.67	-4.78
CCCC(NC(=O)C1=CC=C(C(=O)OC)C=C1Cl)C1=NN=N[N-]1	REAL000000006409	0	38	-1.0	-47.69	341.59	4.82	-42.88
CCCC(NC(=O)C1=CC=C(C(=O)OC)C=C1Cl)C1=N[N-]N=N1	REAL000000006409	1	38	-1.0	-47.69	341.53	4.82	-42.88
CCCC(NC(=O)C1=CC=C(C(=O)OC)C=C1Cl)C1=NNN=N1	REAL000000006409	1	39	0.0	-14.67	344.97	4.83	-9.84
CCCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)C1=NN=N[N-]1	REAL000000006410	0	57	-1.0	-52.87	436.61	4.47	-48.40
CCCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)C1=N[N-]N=N1	REAL000000006410	1	57	-1.0	-52.86	436.55	4.46	-48.40
CCCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)C1=NNN=N1	REAL000000006410	1	58	0.0	-15.95	439.99	4.48	-11.48
CCCC(NC(=O)CC1CC2(CN(C(=O)OC(C)(C)C)C2)CO1)C1=NN=N[N-]1	REAL000000006411	0	57	-1.0	-57.61	449.41	3.90	-53.71
CCCC(NC(=O)CC1CC2(CN(C(=O)OC(C)(C)C)C2)CO1)C1=N[N-]N=N1	REAL000000006411	1	57	-1.0	-57.61	449.36	3.90	-53.71
CCCC(NC(=O)CC1CC2(CN(C(=O)OC(C)(C)C)C2)CO1)C1=NNN=N1	REAL000000006411	1	58	0.0	-19.61	452.80	3.90	-15.70
CCCC(NC(=O)[C@H]1CC[C@@H](NC(C)=O)CC1)C1=NN=N[N-]1	REAL000000006412	0	45	-1.0	-47.66	355.66	2.66	-45.00
CCCC(NC(=O)[C@H]1CC[C@@H](NC(C)=O)CC1)C1=N[N-]N=N1	REAL000000006412	1	45	-1.0	-47.66	355.60	2.66	-45.00
CCCC(NC(=O)[C@H]1CC[C@@H](NC(C)=O)CC1)C1=NNN=N1	REAL000000006412	1	46	0.0	-13.84	359.03	2.68	-11.17
CCCC(NC(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006423	0	51	-1.0	-47.74	417.57	2.71	-45.03
CCCC(NC(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006423	1	51	-1.0	-47.74	417.51	2.70	-45.04
CCCC(NC(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006423	1	52	0.0	-14.84	416.17	3.02	-11.82
CCCC(NC(=O)C1=CC(OC)=C(N)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000006424	0	40	-1.0	-43.77	341.39	1.81	-41.95
CCCC(NC(=O)C1=CC(OC)=C(N)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000006424	1	40	-1.0	-43.76	341.33	1.80	-41.96
CCCC(NC(=O)C1=CC(OC)=C(N)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000006424	1	41	0.0	-10.79	344.77	1.82	-8.97
CCCC(NC(=O)CC1=C2N=CC=CC2=C(Cl)C=C1)C1=NN=N[N-]1	REAL000000006425	0	40	-1.0	-48.24	353.45	5.27	-42.98
CCCC(NC(=O)CC1=C2N=CC=CC2=C(Cl)C=C1)C1=N[N-]N=N1	REAL000000006425	1	40	-1.0	-48.25	353.39	5.25	-42.99
CCCC(NC(=O)CC1=C2N=CC=CC2=C(Cl)C=C1)C1=NNN=N1	REAL000000006425	1	41	0.0	-14.62	356.83	5.27	-9.35
CCCC(NC(=O)CCC1(NC(=O)OC(C)(C)C)CCCC1)C1=NN=N[N-]1	REAL000000006426	0	58	-1.0	-49.79	442.53	4.76	-45.03
CCCC(NC(=O)CCC1(NC(=O)OC(C)(C)C)CCCC1)C1=N[N-]N=N1	REAL000000006426	1	58	-1.0	-49.80	442.48	4.76	-45.04
CCCC(NC(=O)CCC1(NC(=O)OC(C)(C)C)CCCC1)C1=NNN=N1	REAL000000006426	1	59	0.0	-12.00	436.03	4.34	-7.66
CCCC(NC(=O)C1=CC=C(C2CCC2)N=C1)C1=NN=N[N-]1	REAL000000006427	0	41	-1.0	-44.87	335.17	4.40	-40.47
CCCC(NC(=O)C1=CC=C(C2CCC2)N=C1)C1=N[N-]N=N1	REAL000000006427	1	41	-1.0	-44.86	335.11	4.40	-40.46
CCCC(NC(=O)C1=CC=C(C2CCC2)N=C1)C1=NNN=N1	REAL000000006427	1	42	0.0	-10.30	338.55	4.41	-5.89
CCCC(NC(=O)C1=CN2C=C(C)N=C2S1)C1=NN=N[N-]1	REAL000000006428	0	35	-1.0	-43.94	316.31	4.11	-39.83
CCCC(NC(=O)C1=CN2C=C(C)N=C2S1)C1=N[N-]N=N1	REAL000000006428	1	35	-1.0	-43.94	316.25	4.10	-39.84
CCCC(NC(=O)C1=CN2C=C(C)N=C2S1)C1=NNN=N1	REAL000000006428	1	36	0.0	-11.88	319.68	4.12	-7.76
CCCC(NC(=O)C(CC)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000006429	0	41	-1.0	-44.61	351.19	6.05	-38.55
CCCC(NC(=O)C(CC)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000006429	1	41	-1.0	-44.60	351.13	6.06	-38.55
CCCC(NC(=O)C(CC)C1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000006429	1	42	0.0	-10.20	354.58	6.06	-4.14
CCCC(NC(=O)C(O)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000006430	0	36	-1.0	-43.44	323.30	2.89	-40.55
CCCC(NC(=O)C(O)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000006430	1	36	-1.0	-43.43	323.25	2.89	-40.54
CCCC(NC(=O)C(O)C1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000006430	1	37	0.0	-10.47	326.68	2.90	-7.57
CCCC(NC(=O)C1CC2=CC(C)=CC=C2S1)C1=NN=N[N-]1	REAL000000006431	0	40	-1.0	-44.25	343.31	5.83	-38.42
CCCC(NC(=O)C1CC2=CC(C)=CC=C2S1)C1=N[N-]N=N1	REAL000000006431	1	40	-1.0	-44.25	343.25	5.83	-38.42
CCCC(NC(=O)C1CC2=CC(C)=CC=C2S1)C1=NNN=N1	REAL000000006431	1	41	0.0	-9.43	340.14	5.50	-3.93
CCCC(NC(=O)CC1=CC=C(C2CCC2)C=C1)C1=NN=N[N-]1	REAL000000006432	0	45	-1.0	-46.64	364.74	6.92	-39.72
CCCC(NC(=O)CC1=CC=C(C2CCC2)C=C1)C1=N[N-]N=N1	REAL000000006432	1	45	-1.0	-46.64	364.68	6.91	-39.73
CCCC(NC(=O)CC1=CC=C(C2CCC2)C=C1)C1=NNN=N1	REAL000000006432	1	46	0.0	-11.28	368.12	6.93	-4.35
CCCC(NC(=O)C1=C(C(F)(F)F)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000006433	0	38	-1.0	-46.25	345.07	5.01	-41.24
CCCC(NC(=O)C1=C(C(F)(F)F)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000006433	1	38	-1.0	-46.25	345.01	5.01	-41.24
CCCC(NC(=O)C1=C(C(F)(F)F)OC2=CC=CC=C21)C1=NNN=N1	REAL000000006433	1	39	0.0	-10.96	348.44	5.02	-5.94
CCCC(NC(=O)C1=CC=NC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL000000006434	0	40	-1.0	-45.72	346.12	4.98	-40.74
CCCC(NC(=O)C1=CC=NC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL000000006434	1	40	-1.0	-45.72	346.06	4.98	-40.74
CCCC(NC(=O)C1=CC=NC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000006434	1	41	0.0	-10.74	349.49	4.99	-5.75
CCCC(NC(=O)C1=CC=C2C=CC=C(O)C2=C1)C1=NN=N[N-]1	REAL000000006435	0	39	-1.0	-51.48	330.41	3.11	-48.36
CCCC(NC(=O)C1=CC=C2C=CC=C(O)C2=C1)C1=N[N-]N=N1	REAL000000006435	1	39	-1.0	-51.48	330.35	3.11	-48.36
CCCC(NC(=O)C1=CC=C2C=CC=C(O)C2=C1)C1=NNN=N1	REAL000000006435	1	40	0.0	-14.50	333.79	3.12	-11.37
CCCC(NC(=O)C1C2OCCN(C(=O)OC(C)(C)C)C21)C1=NN=N[N-]1	REAL000000006436	0	51	-1.0	-47.45	397.10	3.93	-43.52
CCCC(NC(=O)C1C2OCCN(C(=O)OC(C)(C)C)C21)C1=N[N-]N=N1	REAL000000006436	1	51	-1.0	-47.46	397.05	3.93	-43.52
CCCC(NC(=O)C1C2OCCN(C(=O)OC(C)(C)C)C21)C1=NNN=N1	REAL000000006436	1	52	0.0	-11.73	402.09	3.93	-7.80
CCCC(NC(=O)C[C@H](COC)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006437	0	52	-1.0	-50.33	417.29	1.56	-48.77
CCCC(NC(=O)C[C@H](COC)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006437	1	52	-1.0	-50.32	417.23	1.56	-48.76
CCCC(NC(=O)C[C@H](COC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006437	1	53	0.0	-14.79	420.67	1.56	-13.23
CCCC(NC(=O)C1=CN=C(C2CC2)C=C1C)C1=NN=N[N-]1	REAL000000006438	0	41	-1.0	-44.75	335.39	4.61	-40.14
CCCC(NC(=O)C1=CN=C(C2CC2)C=C1C)C1=N[N-]N=N1	REAL000000006438	1	41	-1.0	-44.74	335.33	4.61	-40.13
CCCC(NC(=O)C1=CN=C(C2CC2)C=C1C)C1=NNN=N1	REAL000000006438	1	42	0.0	-9.89	338.77	4.62	-5.28
CCCC(NC(=O)C1=CC=C2CNC(=O)NC2=C1)C1=NN=N[N-]1	REAL000000006439	0	39	-1.0	-52.65	328.66	0.74	-51.91
CCCC(NC(=O)C1=CC=C2CNC(=O)NC2=C1)C1=N[N-]N=N1	REAL000000006439	1	39	-1.0	-52.64	328.60	0.73	-51.92
CCCC(NC(=O)C1=CC=C2CNC(=O)NC2=C1)C1=NNN=N1	REAL000000006439	1	40	0.0	-14.44	324.84	0.41	-14.03
CCCC(NC(=O)C1C2CC1(C1=CC=CC=N1)CC2)C1=NN=N[N-]1	REAL000000006440	0	45	-1.0	-54.22	355.71	6.09	-48.14
CCCC(NC(=O)C1C2CC1(C1=CC=CC=N1)CC2)C1=N[N-]N=N1	REAL000000006440	1	45	-1.0	-54.22	355.66	6.09	-48.13
CCCC(NC(=O)C1C2CC1(C1=CC=CC=N1)CC2)C1=NNN=N1	REAL000000006440	1	46	0.0	-12.39	366.20	5.49	-6.90
CCCC(NC(=O)C1=C2N[C@@H](C3CC3)C[C@@H](C(F)F)N2N=C1)C1=NN=N[N-]1	REAL000000006441	0	48	-1.0	-48.76	398.28	4.34	-44.42
CCCC(NC(=O)C1=C2N[C@@H](C3CC3)C[C@@H](C(F)F)N2N=C1)C1=N[N-]N=N1	REAL000000006441	1	48	-1.0	-48.76	398.23	4.34	-44.41
CCCC(NC(=O)C1=C2N[C@@H](C3CC3)C[C@@H](C(F)F)N2N=C1)C1=NNN=N1	REAL000000006441	1	49	0.0	-12.67	401.66	4.35	-8.32
CCCC(NC(=O)C1C2CCCN(C(=O)OC(C)(C)C)C21)C1=NN=N[N-]1	REAL000000006442	0	53	-1.0	-49.18	403.34	6.01	-43.18
CCCC(NC(=O)C1C2CCCN(C(=O)OC(C)(C)C)C21)C1=N[N-]N=N1	REAL000000006442	1	53	-1.0	-49.18	403.28	6.00	-43.18
CCCC(NC(=O)C1C2CCCN(C(=O)OC(C)(C)C)C21)C1=NNN=N1	REAL000000006442	1	54	0.0	-15.93	403.75	5.88	-10.06
CCCC(NC(=O)C(NC(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL000000006443	0	49	-1.0	-44.38	385.14	3.43	-40.95
CCCC(NC(=O)C(NC(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL000000006443	1	49	-1.0	-44.38	385.08	3.43	-40.95
CCCC(NC(=O)C(NC(=O)OC(C)(C)C)C1CC1)C1=NNN=N1	REAL000000006443	1	50	0.0	-10.50	388.52	3.44	-7.05
CCCC(NC(=O)C[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006444	0	54	-1.0	-51.71	431.83	3.29	-48.42
CCCC(NC(=O)C[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006444	1	54	-1.0	-51.71	431.77	3.29	-48.42
CCCC(NC(=O)C[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006444	1	55	0.0	-14.51	435.21	3.30	-11.20
CCCC(NC(=O)C1COC2(CN(C(=O)OC(C)(C)C)C2)C1)C1=NN=N[N-]1	REAL000000006445	0	54	-1.0	-47.86	429.15	2.90	-44.95
CCCC(NC(=O)C1COC2(CN(C(=O)OC(C)(C)C)C2)C1)C1=N[N-]N=N1	REAL000000006445	1	54	-1.0	-47.85	429.09	2.91	-44.95
CCCC(NC(=O)C1COC2(CN(C(=O)OC(C)(C)C)C2)C1)C1=NNN=N1	REAL000000006445	1	55	0.0	-12.16	424.33	2.57	-9.58
CCCC(NC(=O)C1=NN2C=C(Br)C=CC2=N1)C1=NN=N[N-]1	REAL000000006446	0	34	-1.0	-50.48	321.73	3.78	-46.69
CCCC(NC(=O)C1=NN2C=C(Br)C=CC2=N1)C1=N[N-]N=N1	REAL000000006446	1	34	-1.0	-50.48	321.67	3.77	-46.70
CCCC(NC(=O)C1=NN2C=C(Br)C=CC2=N1)C1=NNN=N1	REAL000000006446	1	35	0.0	-11.75	317.94	3.50	-8.25
CCCC(NC(=O)C1=CSC(COC2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL000000006447	0	42	-1.0	-47.83	373.41	3.96	-43.87
CCCC(NC(=O)C1=CSC(COC2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL000000006447	1	42	-1.0	-47.83	373.35	3.96	-43.87
CCCC(NC(=O)C1=CSC(COC2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000006447	1	43	0.0	-11.70	376.79	3.97	-7.73
CCCC(NC(=O)CC(C)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000006448	0	44	-1.0	-44.50	355.23	6.23	-38.27
CCCC(NC(=O)CC(C)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000006448	1	44	-1.0	-44.49	355.17	6.22	-38.27
CCCC(NC(=O)CC(C)C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000006448	1	45	0.0	-7.09	351.41	5.90	-1.19
CCCC(NC(=O)C(F)(F)C1=CN=CS1)C1=NN=N[N-]1	REAL000000006449	0	31	-1.0	-41.00	294.99	1.72	-39.28
CCCC(NC(=O)C(F)(F)C1=CN=CS1)C1=N[N-]N=N1	REAL000000006449	1	31	-1.0	-40.99	294.94	1.72	-39.27
CCCC(NC(=O)C#CC12CC3CC(CC(C3)C1)C2)C1=NN=N[N-]1	REAL000000006450	0	48	-1.0	-45.64	370.24	6.91	-38.73
CCCC(NC(=O)C#CC12CC3CC(CC(C3)C1)C2)C1=N[N-]N=N1	REAL000000006450	1	48	-1.0	-45.64	370.18	6.91	-38.73
CCCC(NC(=O)C#CC12CC3CC(CC(C3)C1)C2)C1=NNN=N1	REAL000000006450	1	49	0.0	-9.54	373.64	6.92	-2.62
CCCC(NC(=O)C1=CC2=CC=C(Br)C(F)=C2N1)C1=NN=N[N-]1	REAL000000006451	0	36	-1.0	-43.08	335.07	4.24	-38.84
CCCC(NC(=O)C1=CC2=CC=C(Br)C(F)=C2N1)C1=N[N-]N=N1	REAL000000006451	1	36	-1.0	-43.08	335.01	4.23	-38.85
CCCC(NC(=O)C1=CC2=CC=C(Br)C(F)=C2N1)C1=NNN=N1	REAL000000006451	1	37	0.0	-7.92	331.25	3.91	-4.00
CCCC(NC(=O)C1=CC2=C(N1)C(C)=C(C)O2)C1=NN=N[N-]1	REAL000000006452	0	39	-1.0	-47.68	329.95	3.08	-44.60
CCCC(NC(=O)C1=CC2=C(N1)C(C)=C(C)O2)C1=N[N-]N=N1	REAL000000006452	1	39	-1.0	-47.68	329.89	3.08	-44.60
CCCC(NC(=O)C1=CC2=C(N1)C(C)=C(C)O2)C1=NNN=N1	REAL000000006452	1	40	0.0	-13.51	333.32	3.09	-10.41
CCCC(NC(=O)C1=CC(=O)C(OC)=CN1C)C1=NN=N[N-]1	REAL000000006463	0	39	-1.0	-48.70	324.19	2.91	-45.79
CCCC(NC(=O)C1=CC(=O)C(OC)=CN1C)C1=N[N-]N=N1	REAL000000006463	1	39	-1.0	-48.70	324.13	2.91	-45.78
CCCC(NC(=O)C1=CC(=O)C(OC)=CN1C)C1=NNN=N1	REAL000000006463	1	40	0.0	-17.50	320.39	2.59	-14.91
CCCC(NC(=O)CN1N=C(C(F)(F)F)C2=C1CCC2)C1=NN=N[N-]1	REAL000000006464	0	42	-1.0	-54.87	367.40	4.52	-50.35
CCCC(NC(=O)CN1N=C(C(F)(F)F)C2=C1CCC2)C1=N[N-]N=N1	REAL000000006464	1	42	-1.0	-54.86	367.34	4.51	-50.35
CCCC(NC(=O)CN1N=C(C(F)(F)F)C2=C1CCC2)C1=NNN=N1	REAL000000006464	1	43	0.0	-16.76	370.78	4.53	-12.23
CCCC(NC(=O)C1=COC2=C1C(=O)NCC2)C1=NN=N[N-]1	REAL000000006465	0	37	-1.0	-64.95	314.32	1.67	-63.28
CCCC(NC(=O)C1=COC2=C1C(=O)NCC2)C1=N[N-]N=N1	REAL000000006465	1	37	-1.0	-64.96	314.27	1.67	-63.29
CCCC(NC(=O)C1=COC2=C1C(=O)NCC2)C1=NNN=N1	REAL000000006465	1	38	0.0	-21.11	310.53	1.25	-19.86
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=CS1)C1=NN=N[N-]1	REAL000000006466	0	39	-1.0	-46.84	348.77	6.20	-40.64
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=CS1)C1=N[N-]N=N1	REAL000000006466	1	39	-1.0	-46.85	348.71	6.19	-40.65
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=CS1)C1=NNN=N1	REAL000000006466	1	40	0.0	-11.87	352.15	6.21	-5.65
CCCC(NC(=O)C1=NOC(C2=NN(C)C=C2)=C1)C1=NN=N[N-]1	REAL000000006467	0	38	-1.0	-49.32	337.95	2.44	-46.88
CCCC(NC(=O)C1=NOC(C2=NN(C)C=C2)=C1)C1=N[N-]N=N1	REAL000000006467	1	38	-1.0	-49.32	337.90	2.43	-46.89
CCCC(NC(=O)C1=NOC(C2=NN(C)C=C2)=C1)C1=NNN=N1	REAL000000006467	1	39	0.0	-13.42	341.33	2.45	-10.97
CCCC(NC(=O)COCCC1=CC=CS1)C1=NN=N[N-]1	REAL000000006468	0	39	-1.0	-48.32	345.18	4.57	-43.75
CCCC(NC(=O)COCCC1=CC=CS1)C1=N[N-]N=N1	REAL000000006468	1	39	-1.0	-48.31	345.12	4.57	-43.74
CCCC(NC(=O)COCCC1=CC=CS1)C1=NNN=N1	REAL000000006468	1	40	0.0	-12.90	348.56	4.58	-8.32
CCCC(NC(=O)CC1=C(C)C=C(Br)C=C1C)C1=NN=N[N-]1	REAL000000006469	0	41	-1.0	-45.60	354.36	5.98	-39.62
CCCC(NC(=O)CC1=C(C)C=C(Br)C=C1C)C1=N[N-]N=N1	REAL000000006469	1	41	-1.0	-45.59	354.30	5.97	-39.63
CCCC(NC(=O)CC1=C(C)C=C(Br)C=C1C)C1=NNN=N1	REAL000000006469	1	42	0.0	-11.78	357.74	5.99	-5.79
CCCC(NC(=O)C1=CN2C=CC=C(Br)C2=N1)C1=NN=N[N-]1	REAL000000006470	0	35	-1.0	-51.84	326.14	4.68	-47.16
CCCC(NC(=O)C1=CN2C=CC=C(Br)C2=N1)C1=N[N-]N=N1	REAL000000006470	1	35	-1.0	-51.84	326.08	4.68	-47.16
CCCC(NC(=O)C1=CN2C=CC=C(Br)C2=N1)C1=NNN=N1	REAL000000006470	1	36	0.0	-14.31	329.51	4.68	-9.63
CCCC(NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2)C1=NN=N[N-]1	REAL000000006471	0	46	-1.0	-46.06	360.21	7.14	-38.93
CCCC(NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2)C1=N[N-]N=N1	REAL000000006471	1	46	-1.0	-46.07	360.16	7.13	-38.94
CCCC(NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2)C1=NNN=N1	REAL000000006471	1	47	0.0	-8.41	363.50	7.15	-1.26
CCCC(NC(=O)C1=C(F)C=C2OC=CC2=C1)C1=NN=N[N-]1	REAL000000006472	0	35	-1.0	-50.40	306.22	4.07	-46.33
CCCC(NC(=O)C1=C(F)C=C2OC=CC2=C1)C1=N[N-]N=N1	REAL000000006472	1	35	-1.0	-50.40	306.16	4.06	-46.34
CCCC(NC(=O)C1=C(F)C=C2OC=CC2=C1)C1=NNN=N1	REAL000000006472	1	36	0.0	-11.09	302.41	3.74	-7.34
CCCC(NC(=O)C1=CN=CC(CNC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000006473	0	51	-1.0	-47.40	417.29	2.27	-45.12
CCCC(NC(=O)C1=CN=CC(CNC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000006473	1	51	-1.0	-47.40	417.23	2.26	-45.13
CCCC(NC(=O)C1=CN=CC(CNC(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000006473	1	52	0.0	-13.71	420.66	2.28	-11.43
CCCC(NC(=O)C1=C(Br)C=NN1CC)C1=NN=N[N-]1	REAL000000006474	0	35	-1.0	-41.21	323.11	2.75	-38.46
CCCC(NC(=O)C1=C(Br)C=NN1CC)C1=N[N-]N=N1	REAL000000006474	1	35	-1.0	-41.21	323.05	2.75	-38.45
CCCC(NC(=O)C1=C(Br)C=NN1CC)C1=NNN=N1	REAL000000006474	1	36	0.0	-11.11	326.34	2.77	-8.34
CCCC(NC(=O)C1=NN(CC)C=C1Br)C1=NN=N[N-]1	REAL000000006475	0	35	-1.0	-49.63	320.50	2.93	-46.71
CCCC(NC(=O)C1=NN(CC)C=C1Br)C1=N[N-]N=N1	REAL000000006475	1	35	-1.0	-49.63	320.45	2.92	-46.71
CCCC(NC(=O)C1=NN(CC)C=C1Br)C1=NNN=N1	REAL000000006475	1	36	0.0	-12.71	323.88	2.94	-9.77
CCCC(NC(=O)[C@H]1CC[C@H](NC(C)=O)CC1)C1=NN=N[N-]1	REAL000000006476	0	45	-1.0	-55.99	360.08	2.25	-53.74
CCCC(NC(=O)[C@H]1CC[C@H](NC(C)=O)CC1)C1=N[N-]N=N1	REAL000000006476	1	45	-1.0	-55.99	360.02	2.24	-53.75
CCCC(NC(=O)[C@H]1CC[C@H](NC(C)=O)CC1)C1=NNN=N1	REAL000000006476	1	46	0.0	-13.59	356.00	1.93	-11.66
CCCC(NC(=O)C1=C(Cl)N(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL000000006477	0	39	-1.0	-47.90	348.22	5.08	-42.83
CCCC(NC(=O)C1=C(Cl)N(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL000000006477	1	39	-1.0	-47.90	348.17	5.07	-42.84
CCCC(NC(=O)C1=C(Cl)N(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000006477	1	40	0.0	-13.21	351.56	5.08	-8.13
CCCC(NC(=O)C1=CC=C(C2CCCC(=O)N2)C=C1)C1=NN=N[N-]1	REAL000000006478	0	46	-1.0	-50.31	375.35	4.05	-46.26
CCCC(NC(=O)C1=CC=C(C2CCCC(=O)N2)C=C1)C1=N[N-]N=N1	REAL000000006478	1	46	-1.0	-50.32	375.29	4.04	-46.28
CCCC(NC(=O)C1=CC=C(C2CCCC(=O)N2)C=C1)C1=NNN=N1	REAL000000006478	1	47	0.0	-12.75	371.55	3.72	-9.03
CCCC(NC(=O)CC1=CN(CC2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL000000006479	0	45	-1.0	-49.42	383.22	5.97	-43.44
CCCC(NC(=O)CC1=CN(CC2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL000000006479	1	45	-1.0	-49.41	383.16	5.96	-43.44
CCCC(NC(=O)CC1=CN(CC2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000006479	1	46	0.0	-15.51	386.60	5.98	-9.53
CCCC(NC(=O)C1=CC=C2N=NC(C)=C(C)C2=C1)C1=NN=N[N-]1	REAL000000006480	0	42	-1.0	-46.73	345.83	3.98	-42.75
CCCC(NC(=O)C1=CC=C2N=NC(C)=C(C)C2=C1)C1=N[N-]N=N1	REAL000000006480	1	42	-1.0	-46.73	345.77	3.98	-42.74
CCCC(NC(=O)C1=CC=C2N=NC(C)=C(C)C2=C1)C1=NNN=N1	REAL000000006480	1	43	0.0	-14.59	349.90	4.03	-10.56
CCCC(NC(=O)C1CCCNS1(=O)=O)C1=NN=N[N-]1	REAL000000006481	0	37	-1.0	-50.25	315.63	-2.27	-52.53
CCCC(NC(=O)C1CCCNS1(=O)=O)C1=N[N-]N=N1	REAL000000006481	1	37	-1.0	-50.26	315.58	-2.28	-52.54
CCCC(NC(=O)C1CCCNS1(=O)=O)C1=NNN=N1	REAL000000006481	1	38	0.0	-14.85	311.82	-2.60	-17.45
CCCC(NC(=O)C1=CC=C2OC(C)C(C)C2=C1)C1=NN=N[N-]1	REAL000000006482	0	43	-1.0	-46.75	347.75	4.78	-41.97
CCCC(NC(=O)C1=CC=C2OC(C)C(C)C2=C1)C1=N[N-]N=N1	REAL000000006482	1	43	-1.0	-46.76	347.70	4.78	-41.98
CCCC(NC(=O)C1=CC=C2OC(C)C(C)C2=C1)C1=NNN=N1	REAL000000006482	1	44	0.0	-8.48	343.96	4.46	-4.02
CCCC(NC(=O)C(F)(F)C1=CN(C)C(=O)C=C1)C1=NN=N[N-]1	REAL000000006483	0	38	-1.0	-47.03	330.60	3.22	-43.81
CCCC(NC(=O)C(F)(F)C1=CN(C)C(=O)C=C1)C1=N[N-]N=N1	REAL000000006483	1	38	-1.0	-47.02	330.54	3.22	-43.80
CCCC(NC(=O)C(F)(F)C1=CN(C)C(=O)C=C1)C1=NNN=N1	REAL000000006483	1	39	0.0	-15.18	334.32	3.22	-11.96
CCCC(NC(=O)C(CC(F)(F)F)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006484	0	48	-1.0	-41.36	387.49	2.15	-39.21
CCCC(NC(=O)C(CC(F)(F)F)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006484	1	48	-1.0	-41.35	387.43	2.14	-39.21
CCCC(NC(=O)C(CC(F)(F)F)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006484	1	49	0.0	-10.09	383.70	1.82	-8.27
CCCC(NC(=O)C1=C(C)N=C(CNC(=O)OC(C)(C)C)S1)C1=NN=N[N-]1	REAL000000006485	0	51	-1.0	-45.17	426.96	1.90	-43.27
CCCC(NC(=O)C1=C(C)N=C(CNC(=O)OC(C)(C)C)S1)C1=N[N-]N=N1	REAL000000006485	1	51	-1.0	-45.16	426.91	1.90	-43.26
CCCC(NC(=O)C1=C(C)N=C(CNC(=O)OC(C)(C)C)S1)C1=NNN=N1	REAL000000006485	1	52	0.0	-12.07	430.35	1.90	-10.16
CCCC(NC(=O)CC1=CNC2=CC(OC)=CC=C12)C1=NN=N[N-]1	REAL000000006486	0	43	-1.0	-49.25	360.31	3.69	-45.57
CCCC(NC(=O)CC1=CNC2=CC(OC)=CC=C12)C1=N[N-]N=N1	REAL000000006486	1	43	-1.0	-49.25	360.26	3.68	-45.57
CCCC(NC(=O)CC1=CNC2=CC(OC)=CC=C12)C1=NNN=N1	REAL000000006486	1	44	0.0	-15.36	363.69	3.70	-11.66
CCCC(NC(=O)CCC1=CC=C(Cl)C=C1Br)C1=NN=N[N-]1	REAL000000006487	0	38	-1.0	-42.67	354.33	6.11	-36.55
CCCC(NC(=O)CCC1=CC=C(Cl)C=C1Br)C1=N[N-]N=N1	REAL000000006487	1	38	-1.0	-42.66	354.28	6.11	-36.54
CCCC(NC(=O)CCC1=CC=C(Cl)C=C1Br)C1=NNN=N1	REAL000000006487	1	39	0.0	-10.37	357.71	6.12	-4.25
CCCC(NC(=O)C(CNC(=O)OC(C)(C)C)C1CCOC1)C1=NN=N[N-]1	REAL000000006488	0	56	-1.0	-50.81	432.98	2.32	-48.49
CCCC(NC(=O)C(CNC(=O)OC(C)(C)C)C1CCOC1)C1=N[N-]N=N1	REAL000000006488	1	56	-1.0	-50.80	432.92	2.31	-48.49
CCCC(NC(=O)C(CNC(=O)OC(C)(C)C)C1CCOC1)C1=NNN=N1	REAL000000006488	1	57	0.0	-15.97	437.39	2.15	-13.82
CCCC(NC(=O)CC[C@H]1CCCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006489	0	58	-1.0	-55.27	437.75	5.77	-49.50
CCCC(NC(=O)CC[C@H]1CCCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006489	1	58	-1.0	-55.28	437.69	5.77	-49.50
CCCC(NC(=O)CC[C@H]1CCCCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006489	1	59	0.0	-16.95	440.55	5.77	-11.18
CCCC(NC(=O)CCC1=C2CCCCC2=NN1)C1=NN=N[N-]1	REAL000000006490	0	45	-1.0	-45.69	363.01	3.88	-41.81
CCCC(NC(=O)CCC1=C2CCCCC2=NN1)C1=N[N-]N=N1	REAL000000006490	1	45	-1.0	-45.68	362.96	3.88	-41.81
CCCC(NC(=O)CCC1=C2CCCCC2=NN1)C1=NNN=N1	REAL000000006490	1	46	0.0	-11.99	366.39	3.89	-8.10
CCCC(NC(=O)C1=CC(Cl)=C2N=CC=CC2=C1F)C1=NN=N[N-]1	REAL000000006491	0	37	-1.0	-48.76	335.18	4.69	-44.08
CCCC(NC(=O)C1=CC(Cl)=C2N=CC=CC2=C1F)C1=N[N-]N=N1	REAL000000006491	1	37	-1.0	-48.77	335.12	4.69	-44.08
CCCC(NC(=O)C1=CC(Cl)=C2N=CC=CC2=C1F)C1=NNN=N1	REAL000000006491	1	38	0.0	-13.51	338.56	4.70	-8.81
CCCC(NC(=O)C=CC1=CC=C(C(F)F)O1)C1=NN=N[N-]1	REAL000000006492	0	36	-1.0	-46.32	326.11	4.11	-42.20
CCCC(NC(=O)C=CC1=CC=C(C(F)F)O1)C1=N[N-]N=N1	REAL000000006492	1	36	-1.0	-46.32	326.05	4.10	-42.21
CCCC(NC(=O)C=CC1=CC=C(C(F)F)O1)C1=NNN=N1	REAL000000006492	1	37	0.0	-11.76	329.49	4.12	-7.63
CCCC(NC(=O)CCC1=CC=C(Cl)N=C1)C1=NN=N[N-]1	REAL000000006493	0	37	-1.0	-46.05	332.09	3.76	-42.29
CCCC(NC(=O)CCC1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL000000006493	1	37	-1.0	-46.06	332.03	3.75	-42.30
CCCC(NC(=O)CCC1=CC=C(Cl)N=C1)C1=NNN=N1	REAL000000006493	1	38	0.0	-9.87	328.28	3.44	-6.43
CCCC(NC(=O)C1=CN=CC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000006494	0	43	-1.0	-45.16	345.85	4.17	-40.99
CCCC(NC(=O)C1=CN=CC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000006494	1	43	-1.0	-45.16	345.79	4.17	-40.99
CCCC(NC(=O)C1=CN=CC(C(C)(C)C)=C1)C1=NNN=N1	REAL000000006494	1	44	0.0	-10.12	349.23	4.18	-5.93
CCCC(NC(=O)C1=CC=CC(OC(F)(F)F)=C1C)C1=NN=N[N-]1	REAL000000006495	0	39	-1.0	-44.04	334.89	4.20	-39.83
CCCC(NC(=O)C1=CC=CC(OC(F)(F)F)=C1C)C1=N[N-]N=N1	REAL000000006495	1	39	-1.0	-44.04	334.83	4.20	-39.84
CCCC(NC(=O)C1=CC=CC(OC(F)(F)F)=C1C)C1=NNN=N1	REAL000000006495	1	40	0.0	-10.39	338.26	4.22	-6.18
CCCC(NC(=O)C=C1CCCC(C(F)(F)F)C1)C1=NN=N[N-]1	REAL000000006496	0	42	-1.0	-43.79	347.05	5.38	-38.41
CCCC(NC(=O)C=C1CCCC(C(F)(F)F)C1)C1=N[N-]N=N1	REAL000000006496	1	42	-1.0	-43.79	346.99	5.38	-38.41
CCCC(NC(=O)C=C1CCCC(C(F)(F)F)C1)C1=NNN=N1	REAL000000006496	1	43	0.0	-6.64	343.23	5.07	-1.58
CCCC(NC(=O)C=C1C2CC3CC(C2)CC1C3)C1=NN=N[N-]1	REAL000000006497	0	47	-1.0	-46.50	350.77	6.18	-40.33
CCCC(NC(=O)C=C1C2CC3CC(C2)CC1C3)C1=N[N-]N=N1	REAL000000006497	1	47	-1.0	-46.50	350.71	6.17	-40.34
CCCC(NC(=O)C=C1C2CC3CC(C2)CC1C3)C1=NNN=N1	REAL000000006497	1	48	0.0	-8.85	354.14	6.19	-2.66
CCCC(NC(=O)C=C(C)C1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL000000006498	0	41	-1.0	-44.77	357.08	6.31	-38.45
CCCC(NC(=O)C=C(C)C1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL000000006498	1	41	-1.0	-44.76	357.03	6.31	-38.46
CCCC(NC(=O)C=C(C)C1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000006498	1	42	0.0	-12.74	360.46	6.32	-6.41
CCCC(NC(=O)C(C)=CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL000000006499	0	41	-1.0	-46.88	349.70	6.09	-40.79
CCCC(NC(=O)C(C)=CC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL000000006499	1	41	-1.0	-46.87	349.65	6.09	-40.78
CCCC(NC(=O)C(C)=CC1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000006499	1	42	0.0	-13.91	353.07	6.10	-7.81
CCCCCCCCCC=CC(=O)NC(CCC)C1=NN=N[N-]1	REAL000000006500	0	53	-1.0	-45.00	424.12	8.20	-36.81
CCCCCCCCCC=CC(=O)NC(CCC)C1=N[N-]N=N1	REAL000000006500	1	53	-1.0	-45.01	424.06	8.20	-36.81
CCCCCCCCCC=CC(=O)NC(CCC)C1=NNN=N1	REAL000000006500	1	54	0.0	-9.57	427.50	8.21	-1.36
CCCC(NC(=O)C1=NC=C(Br)C=C1C)C1=NN=N[N-]1	REAL000000006501	0	34	-1.0	-42.63	308.95	3.22	-39.41
CCCC(NC(=O)C1=NC=C(Br)C=C1C)C1=N[N-]N=N1	REAL000000006501	1	34	-1.0	-42.63	308.89	3.21	-39.42
CCCC(NC(=O)C1=NC=C(Br)C=C1C)C1=NNN=N1	REAL000000006501	1	35	0.0	-7.67	312.33	3.22	-4.46
CCCC(NC(=O)C(C)C1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000006502	0	41	-1.0	-44.98	353.63	5.86	-39.11
CCCC(NC(=O)C(C)C1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000006502	1	41	-1.0	-44.97	353.57	5.86	-39.10
CCCC(NC(=O)C(C)C1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000006502	1	42	0.0	-10.52	357.03	5.88	-4.64
CCCC(NC(=O)C1CCCC12CCOCC2)C1=NN=N[N-]1	REAL000000006503	0	46	-1.0	-49.32	344.15	3.61	-45.71
CCCC(NC(=O)C1CCCC12CCOCC2)C1=N[N-]N=N1	REAL000000006503	1	46	-1.0	-49.32	344.09	3.61	-45.72
CCCC(NC(=O)C1CCCC12CCOCC2)C1=NNN=N1	REAL000000006503	1	47	0.0	-9.58	347.76	3.56	-6.03
CCCC(NC(=O)C1=CN=C(OC)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000006504	0	38	-1.0	-43.76	339.09	1.46	-42.30
CCCC(NC(=O)C1=CN=C(OC)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000006504	1	38	-1.0	-43.75	339.03	1.46	-42.29
CCCC(NC(=O)C1=CN=C(OC)C(C(F)(F)F)=C1)C1=NNN=N1	REAL000000006504	1	39	0.0	-11.98	342.47	1.47	-10.51
CCCC(NC(=O)C(F)C1CCCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000006505	0	58	-1.0	-43.93	444.20	6.37	-37.56
CCCC(NC(=O)C(F)C1CCCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000006505	1	58	-1.0	-43.93	444.14	6.37	-37.56
CCCC(NC(=O)C(F)C1CCCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000006505	1	59	0.0	-12.23	447.58	6.38	-5.86
CCCC(NC(=O)CC(CNC(=O)OC(C)(C)C)C1CCC1)C1=NN=N[N-]1	REAL000000006506	0	58	-1.0	-45.89	439.84	5.12	-40.78
CCCC(NC(=O)CC(CNC(=O)OC(C)(C)C)C1CCC1)C1=N[N-]N=N1	REAL000000006506	1	58	-1.0	-45.89	439.78	5.12	-40.77
CCCC(NC(=O)CC(CNC(=O)OC(C)(C)C)C1CCC1)C1=NNN=N1	REAL000000006506	1	59	0.0	-11.72	443.21	5.12	-6.59
CCCC(NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(F)F)C1=NN=N[N-]1	REAL000000006507	0	52	-1.0	-48.74	417.49	4.45	-44.29
CCCC(NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(F)F)C1=N[N-]N=N1	REAL000000006507	1	52	-1.0	-48.74	417.43	4.45	-44.30
CCCC(NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(F)F)C1=NNN=N1	REAL000000006507	1	53	0.0	-13.35	423.76	4.46	-8.89
CCCC(NC(=O)C1CC(NC(=O)OC(C)(C)C)CCO1)C1=NN=N[N-]1	REAL000000006508	0	53	-1.0	-49.46	418.56	2.53	-46.93
CCCC(NC(=O)C1CC(NC(=O)OC(C)(C)C)CCO1)C1=N[N-]N=N1	REAL000000006508	1	53	-1.0	-49.46	418.50	2.52	-46.94
CCCC(NC(=O)C1CC(NC(=O)OC(C)(C)C)CCO1)C1=NNN=N1	REAL000000006508	1	54	0.0	-11.64	414.73	2.11	-9.53
CCCC(NC(=O)C1=CC=C(C2=NOC(CCOC)=N2)C=C1)C1=NN=N[N-]1	REAL000000006509	0	47	-1.0	-47.50	401.71	2.80	-44.70
CCCC(NC(=O)C1=CC=C(C2=NOC(CCOC)=N2)C=C1)C1=N[N-]N=N1	REAL000000006509	1	47	-1.0	-47.50	401.65	2.80	-44.70
CCCC(NC(=O)C1=CC=C(C2=NOC(CCOC)=N2)C=C1)C1=NNN=N1	REAL000000006509	1	48	0.0	-13.50	405.09	2.81	-10.69
CCCC(NC(=O)C1=CN(CC2CC(=O)C2)N=N1)C1=NN=N[N-]1	REAL000000006510	0	40	-1.0	-52.61	347.65	1.97	-50.64
CCCC(NC(=O)C1=CN(CC2CC(=O)C2)N=N1)C1=N[N-]N=N1	REAL000000006510	1	40	-1.0	-52.61	347.59	1.97	-50.64
CCCC(NC(=O)C1=CN(CC2CC(=O)C2)N=N1)C1=NNN=N1	REAL000000006510	1	41	0.0	-16.87	343.83	1.66	-15.21
CCCC(NC(=O)C1=CC2=CC=C(Br)C=C2C(=O)N1)C1=NN=N[N-]1	REAL000000006511	0	38	-1.0	-43.27	346.65	3.56	-39.71
CCCC(NC(=O)C1=CC2=CC=C(Br)C=C2C(=O)N1)C1=N[N-]N=N1	REAL000000006511	1	38	-1.0	-43.26	346.59	3.56	-39.71
CCCC(NC(=O)C1=CC2=CC=C(Br)C=C2C(=O)N1)C1=NNN=N1	REAL000000006511	1	39	0.0	-12.15	350.03	3.56	-8.58
CCCC(NC(=O)C1=C2CN(C(=O)OC(C)(C)C)CCN2C=N1)C1=NN=N[N-]1	REAL000000006512	0	53	-1.0	-56.98	422.37	5.21	-51.76
CCCC(NC(=O)C1=C2CN(C(=O)OC(C)(C)C)CCN2C=N1)C1=N[N-]N=N1	REAL000000006512	1	53	-1.0	-56.98	422.31	5.20	-51.78
CCCC(NC(=O)C1=C2CN(C(=O)OC(C)(C)C)CCN2C=N1)C1=NNN=N1	REAL000000006512	1	54	0.0	-18.44	425.75	5.23	-13.21
CCCC(NC(=O)C(CC1CCCCO1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006513	0	59	-1.0	-48.24	456.82	4.34	-43.90
CCCC(NC(=O)C(CC1CCCCO1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006513	1	59	-1.0	-48.25	456.76	4.34	-43.91
CCCC(NC(=O)C(CC1CCCCO1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006513	1	60	0.0	-10.50	447.81	3.44	-7.05
CCCC(NC(=O)C1=NN2C(=C1)N=CC=C2C(F)F)C1=NN=N[N-]1	REAL000000006514	0	37	-1.0	-60.45	334.85	3.24	-57.21
CCCC(NC(=O)C1=NN2C(=C1)N=CC=C2C(F)F)C1=N[N-]N=N1	REAL000000006514	1	37	-1.0	-60.45	334.79	3.23	-57.22
CCCC(NC(=O)C1=NN2C(=C1)N=CC=C2C(F)F)C1=NNN=N1	REAL000000006514	1	38	0.0	-21.77	338.22	3.25	-18.52
CCCC(NC(=O)C1=CC=C(C2(C)CC2(F)F)C=C1)C1=NN=N[N-]1	REAL000000006515	0	42	-1.0	-48.95	352.17	6.25	-42.70
CCCC(NC(=O)C1=CC=C(C2(C)CC2(F)F)C=C1)C1=N[N-]N=N1	REAL000000006515	1	42	-1.0	-48.95	352.11	6.25	-42.70
CCCC(NC(=O)C1=CC=C(C2(C)CC2(F)F)C=C1)C1=NNN=N1	REAL000000006515	1	43	0.0	-12.70	355.55	6.25	-6.44
CCCC(NC(=O)CC1=CC=C2N=CC=CC2=C1)C1=NN=N[N-]1	REAL000000006516	0	40	-1.0	-51.32	340.10	4.67	-46.65
CCCC(NC(=O)CC1=CC=C2N=CC=CC2=C1)C1=N[N-]N=N1	REAL000000006516	1	40	-1.0	-51.32	340.04	4.67	-46.65
CCCC(NC(=O)CC1=CC=C2N=CC=CC2=C1)C1=NNN=N1	REAL000000006516	1	41	0.0	-16.37	343.48	4.68	-11.69
CCCC(NC(=O)C1=CN=C(C2CCC2)NC1=O)C1=NN=N[N-]1	REAL000000006517	0	41	-1.0	-51.03	339.95	2.81	-48.21
CCCC(NC(=O)C1=CN=C(C2CCC2)NC1=O)C1=N[N-]N=N1	REAL000000006517	1	41	-1.0	-51.03	339.89	2.80	-48.23
CCCC(NC(=O)C1=CC(C2CCC2)=NN1C)C1=NN=N[N-]1	REAL000000006518	0	42	-1.0	-43.03	341.94	3.94	-39.09
CCCC(NC(=O)C1=CC(C2CCC2)=NN1C)C1=N[N-]N=N1	REAL000000006518	1	42	-1.0	-43.04	341.89	3.94	-39.09
CCCC(NC(=O)C1=CC(C2CCC2)=NN1C)C1=NNN=N1	REAL000000006518	1	43	0.0	-10.89	345.47	3.95	-6.94
CCCC(NC(=O)C1=CC2=C(C=C(Cl)S2)S1)C1=NN=N[N-]1	REAL000000006519	0	32	-1.0	-42.68	320.65	4.75	-37.94
CCCC(NC(=O)C1=CC2=C(C=C(Cl)S2)S1)C1=N[N-]N=N1	REAL000000006519	1	32	-1.0	-42.68	320.59	4.74	-37.95
CCCC(NC(=O)C1=CC2=C(C=C(Cl)S2)S1)C1=NNN=N1	REAL000000006519	1	33	0.0	-8.69	324.03	4.75	-3.94
CCCC(NC(=O)C1=CC2=C(CCCC2)N=C1Cl)C1=NN=N[N-]1	REAL000000006520	0	41	-1.0	-48.13	345.05	4.79	-43.34
CCCC(NC(=O)C1=CC2=C(CCCC2)N=C1Cl)C1=N[N-]N=N1	REAL000000006520	1	41	-1.0	-48.13	344.99	4.78	-43.35
CCCC(NC(=O)C1=CC2=C(CCCC2)N=C1Cl)C1=NNN=N1	REAL000000006520	1	42	0.0	-13.73	348.43	4.80	-8.93
CCCC(NC(=O)C1CC2(C1)CC(C(=O)OC)C2)C1=NN=N[N-]1	REAL000000006521	0	45	-1.0	-46.67	369.33	5.16	-41.51
CCCC(NC(=O)C1CC2(C1)CC(C(=O)OC)C2)C1=N[N-]N=N1	REAL000000006521	1	45	-1.0	-46.67	369.27	5.16	-41.51
CCCC(NC(=O)C1CC2(C1)CC(C(=O)OC)C2)C1=NNN=N1	REAL000000006521	1	46	0.0	-10.89	365.56	4.85	-6.05
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C1=NN=N[N-]1	REAL000000006522	0	35	-1.0	-43.59	326.16	5.06	-38.53
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C1=N[N-]N=N1	REAL000000006522	1	35	-1.0	-43.59	326.10	5.05	-38.53
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C1=NNN=N1	REAL000000006522	1	36	0.0	-9.36	329.54	5.07	-4.29
CCCC(NC(=O)C1=C2N=C(C3CC3)C=C(C(F)F)N2N=C1)C1=NN=N[N-]1	REAL000000006523	0	44	-1.0	-63.82	385.28	5.71	-58.11
CCCC(NC(=O)C1=C2N=C(C3CC3)C=C(C(F)F)N2N=C1)C1=N[N-]N=N1	REAL000000006523	1	44	-1.0	-63.82	385.22	5.71	-58.11
CCCC(NC(=O)C1=C2N=C(C3CC3)C=C(C(F)F)N2N=C1)C1=NNN=N1	REAL000000006523	1	45	0.0	-20.66	381.46	5.38	-15.28
CCCC(NC(=O)C1=CC(NC(C)=O)=CN=C1C)C1=NN=N[N-]1	REAL000000006524	0	41	-1.0	-50.38	341.91	1.44	-48.94
CCCC(NC(=O)C1=CC(NC(C)=O)=CN=C1C)C1=N[N-]N=N1	REAL000000006524	1	41	-1.0	-50.38	341.85	1.43	-48.95
CCCC(NC(=O)C1=CC(NC(C)=O)=CN=C1C)C1=NNN=N1	REAL000000006524	1	42	0.0	-12.62	337.79	1.12	-11.50
CCCC(NC(=O)[C@]1(F)C[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000006525	0	39	-1.0	-41.92	331.96	5.67	-36.25
CCCC(NC(=O)[C@]1(F)C[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000006525	1	39	-1.0	-41.92	331.90	5.67	-36.26
CCCC(NC(=O)[C@]1(F)C[C@H]1C1=CC=CC=C1)C1=NNN=N1	REAL000000006525	1	40	0.0	-7.21	328.18	5.35	-1.86
CCCC(NC(=O)CC1=CN=C2C(C)CCCN12)C1=NN=N[N-]1	REAL000000006526	0	45	-1.0	-50.73	362.19	4.88	-45.85
CCCC(NC(=O)CC1=CN=C2C(C)CCCN12)C1=N[N-]N=N1	REAL000000006526	1	45	-1.0	-50.72	362.14	4.87	-45.85
CCCC(NC(=O)C1=C2N=C(C)C=C(C)N2C=C1)C1=NN=N[N-]1	REAL000000006527	0	41	-1.0	-62.76	344.87	5.49	-57.28
CCCC(NC(=O)C1=C2N=C(C)C=C(C)N2C=C1)C1=N[N-]N=N1	REAL000000006527	1	41	-1.0	-62.77	344.81	5.49	-57.29
CCCC(NC(=O)C1=C2N=C(C)C=C(C)N2C=C1)C1=NNN=N1	REAL000000006527	1	42	0.0	-21.43	348.25	5.50	-15.93
CCCC(NC(=O)C1=C(C(C)C)SC(Cl)=N1)C1=NN=N[N-]1	REAL000000006528	0	37	-1.0	-44.36	336.50	3.32	-41.04
CCCC(NC(=O)C1=C(C(C)C)SC(Cl)=N1)C1=N[N-]N=N1	REAL000000006528	1	37	-1.0	-44.36	336.44	3.32	-41.04
CCCC(NC(=O)C1=C(C(C)C)SC(Cl)=N1)C1=NNN=N1	REAL000000006528	1	38	0.0	-8.12	339.87	3.33	-4.79
CCCC(NC(=O)CCC1=CC=C2OCC(=O)NC2=C1)C1=NN=N[N-]1	REAL000000006529	0	44	-1.0	-47.60	371.13	2.35	-45.24
CCCC(NC(=O)CCC1=CC=C2OCC(=O)NC2=C1)C1=N[N-]N=N1	REAL000000006529	1	44	-1.0	-47.59	371.07	2.34	-45.25
CCCC(NC(=O)CCC1=CC=C2OCC(=O)NC2=C1)C1=NNN=N1	REAL000000006529	1	45	0.0	-15.04	374.51	2.36	-12.67
CCCC(NC(=O)CSCCC(F)(F)F)C1=NN=N[N-]1	REAL000000006530	0	35	-1.0	-45.69	323.13	3.85	-41.84
CCCC(NC(=O)CSCCC(F)(F)F)C1=N[N-]N=N1	REAL000000006530	1	35	-1.0	-45.68	323.07	3.84	-41.84
CCCC(NC(=O)CSCCC(F)(F)F)C1=NNN=N1	REAL000000006530	1	36	0.0	-12.06	326.50	3.86	-8.21
CCCC(NC(=O)[C@@H](CC1=CC=CC=N1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006531	0	54	-1.0	-57.61	436.72	4.46	-53.15
CCCC(NC(=O)[C@@H](CC1=CC=CC=N1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006531	1	54	-1.0	-57.61	436.67	4.46	-53.14
CCCC(NC(=O)[C@@H](CC1=CC=CC=N1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006531	1	55	0.0	-18.65	440.10	4.47	-14.18
CCCC(NC(=O)C(C)CCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006532	0	51	-1.0	-47.04	403.16	2.42	-44.63
CCCC(NC(=O)C(C)CCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006532	1	51	-1.0	-47.04	403.10	2.42	-44.62
CCCC(NC(=O)C(C)CCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006532	1	52	0.0	-12.81	406.53	2.42	-10.39
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC12CCC2)C1=NN=N[N-]1	REAL000000006533	0	56	-1.0	-49.40	433.05	5.39	-44.02
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC12CCC2)C1=N[N-]N=N1	REAL000000006533	1	56	-1.0	-49.39	433.00	5.38	-44.02
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC12CCC2)C1=NNN=N1	REAL000000006533	1	57	0.0	-14.60	436.43	5.40	-9.20
CCCC(NC(=O)CC[C@H]1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006534	0	55	-1.0	-57.68	426.26	5.10	-52.58
CCCC(NC(=O)CC[C@H]1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006534	1	55	-1.0	-57.68	426.20	5.09	-52.59
CCCC(NC(=O)CC[C@H]1CCCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006534	1	56	0.0	-14.63	421.67	4.75	-9.88
CCCC(NC(=O)CCC1(NC(=O)OC(C)(C)C)CCOCC1)C1=NN=N[N-]1	REAL000000006535	0	59	-1.0	-53.55	445.40	3.20	-50.35
CCCC(NC(=O)CCC1(NC(=O)OC(C)(C)C)CCOCC1)C1=N[N-]N=N1	REAL000000006535	1	59	-1.0	-53.55	445.35	3.20	-50.35
CCCC(NC(=O)CCC1(NC(=O)OC(C)(C)C)CCOCC1)C1=NNN=N1	REAL000000006535	1	60	0.0	-14.86	448.77	3.21	-11.65
CCCC(NC(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006536	0	48	-1.0	-44.61	377.29	3.67	-40.95
CCCC(NC(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006536	1	48	-1.0	-44.61	377.23	3.66	-40.95
CCCC(NC(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006536	1	49	0.0	-13.70	380.67	3.67	-10.03
CCCC(NC(=O)CO[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000006537	0	59	-1.0	-52.22	461.09	4.15	-48.07
CCCC(NC(=O)CO[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000006537	1	59	-1.0	-52.22	461.03	4.15	-48.07
CCCC(NC(=O)CO[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000006537	1	60	0.0	-17.62	464.46	4.15	-13.47
CCCC(NC(=O)CON1C(=O)C2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL000000006538	0	40	-1.0	-58.39	358.34	4.43	-53.95
CCCC(NC(=O)CON1C(=O)C2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL000000006538	1	40	-1.0	-58.38	358.28	4.42	-53.96
CCCC(NC(=O)CON1C(=O)C2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000006538	1	41	0.0	-17.38	354.53	4.01	-13.37
CCCC(NC(=O)[C@@H]1C[C@@H]1C1=NC2=CC=CN=C2N1)C1=NN=N[N-]1	REAL000000006539	0	41	-1.0	-58.12	345.90	3.34	-54.78
CCCC(NC(=O)[C@@H]1C[C@@H]1C1=NC2=CC=CN=C2N1)C1=N[N-]N=N1	REAL000000006539	1	41	-1.0	-58.12	345.84	3.34	-54.78
CCCC(NC(=O)[C@@H]1C[C@@H]1C1=NC2=CC=CN=C2N1)C1=NNN=N1	REAL000000006539	1	42	0.0	-19.97	349.28	3.35	-16.62
CCCC(NC(=O)C1CCCC2=C1N(C)N=N2)C1=NN=N[N-]1	REAL000000006540	0	41	-1.0	-46.38	330.41	1.94	-44.44
CCCC(NC(=O)C1CCCC2=C1N(C)N=N2)C1=N[N-]N=N1	REAL000000006540	1	41	-1.0	-46.38	330.35	1.93	-44.45
CCCC(NC(=O)C1CCCC2=C1N(C)N=N2)C1=NNN=N1	REAL000000006540	1	42	0.0	-17.85	334.47	1.98	-15.87
CCCC(NC(=O)C1=NC(Br)=CS1)C1=NN=N[N-]1	REAL000000006541	0	28	-1.0	-42.44	284.06	1.25	-41.19
CCCC(NC(=O)C1=NC(Br)=CS1)C1=N[N-]N=N1	REAL000000006541	1	28	-1.0	-42.44	284.00	1.25	-41.19
CCCC(NC(=O)C1=NC(Br)=CS1)C1=NNN=N1	REAL000000006541	1	29	0.0	-8.42	287.44	1.26	-7.16
CCCC(NC(=O)C(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000006542	0	45	-1.0	-41.55	383.52	6.34	-35.21
CCCC(NC(=O)C(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000006542	1	45	-1.0	-41.55	383.46	6.33	-35.21
CCCC(NC(=O)C(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000006542	1	46	0.0	-8.85	386.89	6.35	-2.50
CCCC(NC(=O)C1=CC2=CC=C(Cl)C=C2OC1)C1=NN=N[N-]1	REAL000000006543	0	38	-1.0	-45.34	336.89	4.67	-40.67
CCCC(NC(=O)C1=CC2=CC=C(Cl)C=C2OC1)C1=N[N-]N=N1	REAL000000006543	1	38	-1.0	-45.34	336.83	4.67	-40.67
CCCC(NC(=O)C1=CC2=CC=C(Cl)C=C2OC1)C1=NNN=N1	REAL000000006543	1	39	0.0	-10.91	340.32	4.68	-6.23
CCCC(NC(=O)CC1=CC=C(OCC)C=N1)C1=NN=N[N-]1	REAL000000006544	0	41	-1.0	-53.48	343.88	2.89	-50.59
CCCC(NC(=O)CC1=CC=C(OCC)C=N1)C1=N[N-]N=N1	REAL000000006544	1	41	-1.0	-53.48	343.82	2.89	-50.58
CCCC(NC(=O)CC1=CC=C(OCC)C=N1)C1=NNN=N1	REAL000000006544	1	42	0.0	-12.01	340.09	2.58	-9.44
CCCC(NC(=O)C(O)C1=CC=C(C2CC2)C=C1)C1=NN=N[N-]1	REAL000000006545	0	43	-1.0	-46.34	356.31	4.46	-41.89
CCCC(NC(=O)C(O)C1=CC=C(C2CC2)C=C1)C1=N[N-]N=N1	REAL000000006545	1	43	-1.0	-46.33	356.25	4.46	-41.88
CCCC(NC(=O)C(O)C1=CC=C(C2CC2)C=C1)C1=NNN=N1	REAL000000006545	1	44	0.0	-10.69	359.69	4.47	-6.23
CCCC(NC(=O)C1CC2=CC(C)=CC=C2S1(=O)=O)C1=NN=N[N-]1	REAL000000006546	0	42	-1.0	-59.24	361.66	2.14	-57.10
CCCC(NC(=O)C1CC2=CC(C)=CC=C2S1(=O)=O)C1=N[N-]N=N1	REAL000000006546	1	42	-1.0	-59.24	361.60	2.14	-57.11
CCCC(NC(=O)C1CC2=CC(C)=CC=C2S1(=O)=O)C1=NNN=N1	REAL000000006546	1	43	0.0	-19.98	365.31	2.16	-17.82
CCCC(NC(=O)CC(NC1CC1)C(F)(F)F)C1=NN=N[N-]1	REAL000000006547	0	40	-1.0	-43.02	342.31	2.15	-40.87
CCCC(NC(=O)CC(NC1CC1)C(F)(F)F)C1=N[N-]N=N1	REAL000000006547	1	40	-1.0	-43.02	342.25	2.14	-40.88
CCCC(NC(=O)CC(NC1CC1)C(F)(F)F)C1=NNN=N1	REAL000000006547	1	41	0.0	-9.37	345.68	2.16	-7.21
CCCC(NC(=O)C1=CC2=C(F)C(Br)=CC=C2N1)C1=NN=N[N-]1	REAL000000006548	0	36	-1.0	-46.39	335.16	4.24	-42.14
CCCC(NC(=O)C1=CC2=C(F)C(Br)=CC=C2N1)C1=N[N-]N=N1	REAL000000006548	1	36	-1.0	-46.38	335.10	4.24	-42.15
CCCC(NC(=O)C1=CC2=C(F)C(Br)=CC=C2N1)C1=NNN=N1	REAL000000006548	1	37	0.0	-10.19	331.35	3.92	-6.27
CCCC(NC(=O)C1=CC2=C(C)C=C(OC)C=C2N1)C1=NN=N[N-]1	REAL000000006549	0	43	-1.0	-46.43	358.26	3.52	-42.91
CCCC(NC(=O)C1=CC2=C(C)C=C(OC)C=C2N1)C1=N[N-]N=N1	REAL000000006549	1	43	-1.0	-46.43	358.20	3.53	-42.91
CCCC(NC(=O)C1=CC2=C(C)C=C(OC)C=C2N1)C1=NNN=N1	REAL000000006549	1	44	0.0	-11.87	361.63	3.53	-8.33
CCCC(NC(=O)C1=CC2=CC=C(Cl)C(F)=C2N1)C1=NN=N[N-]1	REAL000000006550	0	36	-1.0	-43.34	330.66	4.14	-39.20
CCCC(NC(=O)C1=CC2=CC=C(Cl)C(F)=C2N1)C1=N[N-]N=N1	REAL000000006550	1	36	-1.0	-43.34	330.60	4.14	-39.21
CCCC(NC(=O)C1=CC2=CC=C(Cl)C(F)=C2N1)C1=NNN=N1	REAL000000006550	1	37	0.0	-10.32	334.04	4.14	-6.18
CCCC(NC(=O)C1=C2C=NN(C)C2=NC=N1)C1=NN=N[N-]1	REAL000000006551	0	36	-1.0	-43.85	313.55	2.57	-41.29
CCCC(NC(=O)C1=C2C=NN(C)C2=NC=N1)C1=N[N-]N=N1	REAL000000006551	1	36	-1.0	-43.85	313.49	2.57	-41.29
CCCC(NC(=O)C1=C2C=NN(C)C2=NC=N1)C1=NNN=N1	REAL000000006551	1	37	0.0	-10.88	316.92	2.57	-8.31
CCCC(NC(=O)C1=CC=C(C2(F)COC2)C=C1)C1=NN=N[N-]1	REAL000000006552	0	40	-1.0	-47.60	336.68	3.50	-44.10
CCCC(NC(=O)C1=CC=C(C2(F)COC2)C=C1)C1=N[N-]N=N1	REAL000000006552	1	40	-1.0	-47.60	336.63	3.50	-44.10
CCCC(NC(=O)C1=CC=C(C2(F)COC2)C=C1)C1=NNN=N1	REAL000000006552	1	41	0.0	-13.95	340.06	3.51	-10.44
CCCC(NC(=O)C1=C2C=CC(C)=C(Cl)C2=NC=C1)C1=NN=N[N-]1	REAL000000006553	0	40	-1.0	-46.35	345.14	5.20	-41.15
CCCC(NC(=O)C1=C2C=CC(C)=C(Cl)C2=NC=C1)C1=N[N-]N=N1	REAL000000006553	1	40	-1.0	-46.34	345.08	5.19	-41.15
CCCC(NC(=O)C1=C2C=CC(C)=C(Cl)C2=NC=C1)C1=NNN=N1	REAL000000006553	1	41	0.0	-10.35	341.32	4.88	-5.47
CCCC(NC(=O)CN1C=CC2=CC=C(Br)C=C21)C1=NN=N[N-]1	REAL000000006554	0	39	-1.0	-47.03	353.41	6.39	-40.64
CCCC(NC(=O)CN1C=CC2=CC=C(Br)C=C21)C1=N[N-]N=N1	REAL000000006554	1	39	-1.0	-47.04	353.35	6.39	-40.64
CCCC(NC(=O)CN1C=CC2=CC=C(Br)C=C21)C1=NNN=N1	REAL000000006554	1	40	0.0	-14.38	356.79	6.40	-7.98
CCCC(NC(=O)C1CCOC2(CCOCC2)C1)C1=NN=N[N-]1	REAL000000006555	0	47	-1.0	-47.51	356.99	2.25	-45.27
CCCC(NC(=O)C1CCOC2(CCOCC2)C1)C1=N[N-]N=N1	REAL000000006555	1	47	-1.0	-47.51	356.94	2.24	-45.27
CCCC(NC(=O)C1CCOC2(CCOCC2)C1)C1=NNN=N1	REAL000000006555	1	48	0.0	-12.16	360.37	2.26	-9.91
CCCC(NC(=O)C1=CC2=C(SC=C2)S1)C1=NN=N[N-]1	REAL000000006556	0	32	-1.0	-44.95	303.85	4.11	-40.84
CCCC(NC(=O)CCC1=NN=C2C=CC(OC)=NN21)C1=NN=N[N-]1	REAL000000006557	0	43	-1.0	-52.09	369.85	1.89	-50.20
CCCC(NC(=O)CCC1=NN=C2C=CC(OC)=NN21)C1=N[N-]N=N1	REAL000000006557	1	43	-1.0	-52.09	369.79	1.88	-50.21
CCCC(NC(=O)CCC1=NN=C2C=CC(OC)=NN21)C1=NNN=N1	REAL000000006557	1	44	0.0	-13.77	366.04	1.57	-12.20
CCCC(NC(=O)C1=CC(C)=C([O-])C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000006558	0	37	-2.0	-88.24	327.80	4.11	-84.13
CCCC(NC(=O)C1=CC(C)=C([O-])C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000006558	1	37	-2.0	-88.24	327.74	4.10	-84.13
CCCC(NC(=O)C1=CC(C)=C([O-])C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000006558	1	38	-1.0	-43.56	331.17	4.12	-39.44
CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=NN=N[N-]1	REAL000000006559	0	54	-1.0	-42.26	419.62	3.44	-38.82
CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=N[N-]N=N1	REAL000000006559	1	54	-1.0	-42.25	419.56	3.43	-38.82
CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=NNN=N1	REAL000000006559	1	55	0.0	-9.76	422.94	3.45	-6.31
CCCC(NC(=O)[C@H](CC1=CC=NC=C1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006560	0	54	-1.0	-43.20	422.88	2.59	-40.60
CCCC(NC(=O)[C@H](CC1=CC=NC=C1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006560	1	54	-1.0	-43.19	422.82	2.59	-40.60
CCCC(NC(=O)[C@H](CC1=CC=NC=C1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006560	1	55	0.0	-10.29	419.09	2.27	-8.02
CCCC([N-]C(=O)C(F)(F)C(F)(F)OC(F)(F)F)C1=N[N-]N=N1	REAL000000006561	0	31	-2.0	-100.12	305.91	-0.62	-100.74
CCCC([N-]C(=O)C(F)(F)C(F)(F)OC(F)(F)F)C1=NN=N[N-]1	REAL000000006561	1	31	-2.0	-100.11	305.97	-0.61	-100.72
CCCC([N-]C(=O)C(F)(F)C(F)(F)OC(F)(F)F)C1=NNN=N1	REAL000000006561	1	32	-1.0	-33.78	309.34	-0.60	-34.38
CCCC(NC(=O)C1=COC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL000000006562	0	36	-1.0	-52.15	310.67	4.33	-47.82
CCCC(NC(=O)C1=COC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL000000006562	1	36	-1.0	-52.16	310.61	4.33	-47.83
CCCC(NC(=O)C1=COC2=CC=CC=C2O1)C1=NNN=N1	REAL000000006562	1	37	0.0	-16.67	314.05	4.34	-12.33
CCCC(NC(=O)C1CC(=O)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL000000006563	0	39	-1.0	-47.45	333.50	4.43	-43.02
CCCC(NC(=O)C1CC(=O)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL000000006563	1	39	-1.0	-47.45	333.44	4.43	-43.01
CCCC(NC(=O)C1CC(=O)C2=CC=CC=C2O1)C1=NNN=N1	REAL000000006563	1	40	0.0	-13.70	336.86	4.44	-9.25
CCCC(NC(=O)C1=C(C)SC(Br)=C1)C1=NN=N[N-]1	REAL000000006564	0	32	-1.0	-42.83	304.23	4.09	-38.74
CCCC(NC(=O)C1=C(C)SC(Br)=C1)C1=N[N-]N=N1	REAL000000006564	1	32	-1.0	-42.82	304.17	4.08	-38.75
CCCC(NC(=O)C1=C(C)SC(Br)=C1)C1=NNN=N1	REAL000000006564	1	33	0.0	-8.24	308.79	4.11	-4.13
CCCC(NC(=O)C1=CC2=C(C)C=C(OC)C=C2O1)C1=NN=N[N-]1	REAL000000006565	0	42	-1.0	-45.16	355.93	3.99	-41.17
CCCC(NC(=O)C1=CC2=C(C)C=C(OC)C=C2O1)C1=N[N-]N=N1	REAL000000006565	1	42	-1.0	-45.16	355.87	3.99	-41.17
CCCC(NC(=O)C1=CC2=C(C)C=C(OC)C=C2O1)C1=NNN=N1	REAL000000006565	1	43	0.0	-8.36	352.13	3.66	-4.69
CCCC(NC(=O)C(CC1CC=CCC1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006566	0	59	-1.0	-41.87	445.23	4.84	-37.03
CCCC(NC(=O)C(CC1CC=CCC1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006566	1	59	-1.0	-41.87	445.17	4.84	-37.02
CCCC(NC(=O)C(CC1CC=CCC1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006566	1	60	0.0	-13.09	456.03	6.54	-6.56
CCCC(NC(=O)CCC1(NC(=O)OC(C)(C)C)CCOC1)C1=NN=N[N-]1	REAL000000006567	0	56	-1.0	-46.35	430.38	2.77	-43.59
CCCC(NC(=O)CCC1(NC(=O)OC(C)(C)C)CCOC1)C1=N[N-]N=N1	REAL000000006567	1	56	-1.0	-46.34	430.32	2.77	-43.58
CCCC(NC(=O)CCC1(NC(=O)OC(C)(C)C)CCOC1)C1=NNN=N1	REAL000000006567	1	57	0.0	-14.23	433.54	2.76	-11.47
CCCC(NC(=O)C1=CC2=CC=NC=C2C(=O)N1)C1=NN=N[N-]1	REAL000000006568	0	37	-1.0	-43.79	320.29	1.18	-42.61
CCCC(NC(=O)C1=CC2=CC=NC=C2C(=O)N1)C1=N[N-]N=N1	REAL000000006568	1	37	-1.0	-43.79	320.23	1.17	-42.61
CCCC(NC(=O)C1=CC2=CC=NC=C2C(=O)N1)C1=NNN=N1	REAL000000006568	1	38	0.0	-11.30	316.48	0.86	-10.44
CCCC(NC(=O)C(F)(F)C1(O)CCOCC1)C1=NN=N[N-]1	REAL000000006569	0	40	-1.0	-37.57	324.69	0.39	-37.17
CCCC(NC(=O)C(F)(F)C1(O)CCOCC1)C1=N[N-]N=N1	REAL000000006569	1	40	-1.0	-37.57	324.63	0.38	-37.19
CCCC(NC(=O)C(F)(F)C1(O)CCOCC1)C1=NNN=N1	REAL000000006569	1	41	0.0	-7.08	328.07	0.40	-6.67
CCCC(NC(=O)C1=C(Br)C(C(F)(F)F)=NN1)C1=NN=N[N-]1	REAL000000006570	0	32	-1.0	-41.13	316.43	1.73	-39.41
CCCC(NC(=O)C1=C(Br)C(C(F)(F)F)=NN1)C1=N[N-]N=N1	REAL000000006570	1	32	-1.0	-41.13	316.37	1.72	-39.41
CCCC(NC(=O)C1=C(Br)C(C(F)(F)F)=NN1)C1=NNN=N1	REAL000000006570	1	33	0.0	-11.30	319.85	1.74	-9.56
CCCC(NC(=O)CS(=O)(=O)CCC(F)(F)F)C1=NN=N[N-]1	REAL000000006571	0	37	-1.0	-59.25	341.59	0.40	-58.85
CCCC(NC(=O)CS(=O)(=O)CCC(F)(F)F)C1=N[N-]N=N1	REAL000000006571	1	37	-1.0	-59.25	341.54	0.40	-58.84
CCCC(NC(=O)CS(=O)(=O)CCC(F)(F)F)C1=NNN=N1	REAL000000006571	1	38	0.0	-24.37	344.97	0.41	-23.96
CCCC(NC(=O)C1=CC=C2NC(N(C)C)=NC2=C1)C1=NN=N[N-]1	REAL000000006572	0	43	-1.0	-55.17	355.69	5.48	-49.69
CCCC(NC(=O)C1=CC=C2NC(N(C)C)=NC2=C1)C1=N[N-]N=N1	REAL000000006572	1	43	-1.0	-55.17	355.64	5.47	-49.70
CCCC(NC(=O)C1=CC=C2NC(N(C)C)=NC2=C1)C1=NNN=N1	REAL000000006572	1	44	0.0	-18.45	359.85	5.46	-12.99
CCCC(NC(=O)C1=CC(Cl)=C([O-])C=C1C)C1=NN=N[N-]1	REAL000000006573	0	35	-2.0	-88.84	313.82	2.82	-86.02
CCCC(NC(=O)C1=CC(Cl)=C([O-])C=C1C)C1=N[N-]N=N1	REAL000000006573	1	35	-2.0	-88.84	313.76	2.82	-86.01
CCCC(NC(=O)C1=CC(=O)NC2=NC=CC=C12)C1=NN=N[N-]1	REAL000000006574	0	37	-1.0	-43.49	316.21	1.83	-41.66
CCCC(NC(=O)C1=CC(=O)NC2=NC=CC=C12)C1=N[N-]N=N1	REAL000000006574	1	37	-1.0	-43.48	316.15	1.82	-41.66
CCCC(NC(=O)C1=CC(=O)NC2=NC=CC=C12)C1=NNN=N1	REAL000000006574	1	38	0.0	-10.60	312.89	1.48	-9.11
CCCC(NC(=O)C1=C(Br)N2C=CC=CC2=N1)C1=NN=N[N-]1	REAL000000006575	0	35	-1.0	-51.27	323.33	4.59	-46.68
CCCC(NC(=O)C1=C(Br)N2C=CC=CC2=N1)C1=N[N-]N=N1	REAL000000006575	1	35	-1.0	-51.27	323.27	4.58	-46.69
CCCC(NC(=O)C1=C(Br)N2C=CC=CC2=N1)C1=NNN=N1	REAL000000006575	1	36	0.0	-13.53	326.71	4.60	-8.93
CCCC(NC(=O)C1=NC2=C(COCC2)S1)C1=NN=N[N-]1	REAL000000006576	0	36	-1.0	-49.93	316.39	0.91	-49.02
CCCC(NC(=O)C1=NC2=C(COCC2)S1)C1=N[N-]N=N1	REAL000000006576	1	36	-1.0	-49.93	316.33	0.91	-49.02
CCCC(NC(=O)C1=NC2=C(COCC2)S1)C1=NNN=N1	REAL000000006576	1	37	0.0	-14.47	319.78	0.91	-13.56
CCCC(NC(=O)CC[C@]1(C)CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006577	0	58	-1.0	-57.03	441.81	6.56	-50.47
CCCC(NC(=O)CC[C@]1(C)CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006577	1	58	-1.0	-57.02	441.76	6.55	-50.47
CCCC(NC(=O)CC[C@]1(C)CCCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006577	1	59	0.0	-17.20	445.29	6.56	-10.64
CCCC(NC(=O)CC(CC)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000006578	0	47	-1.0	-45.26	373.20	6.94	-38.31
CCCC(NC(=O)CC(CC)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000006578	1	47	-1.0	-45.26	373.15	6.95	-38.31
CCCC(NC(=O)CC(CC)CC1=CC=CC=C1)C1=NNN=N1	REAL000000006578	1	48	0.0	-10.79	376.58	6.95	-3.84
CCCC(NC(=O)C1=CC=C(O)C(CC=C(C)C)=C1)C1=NN=N[N-]1	REAL000000006579	0	46	-1.0	-47.33	377.08	4.37	-42.96
CCCC(NC(=O)C1=CC=C(O)C(CC=C(C)C)=C1)C1=N[N-]N=N1	REAL000000006579	1	46	-1.0	-47.32	377.02	4.36	-42.97
CCCC(NC(=O)C1=CC=C(O)C(CC=C(C)C)=C1)C1=NNN=N1	REAL000000006579	1	47	0.0	-8.70	374.31	3.93	-4.77
CCCC(NC(=O)C1=COC2=C1NC(=O)CCC2)C1=NN=N[N-]1	REAL000000006580	0	40	-1.0	-52.62	334.38	1.30	-51.31
CCCC(NC(=O)C1=COC2=C1NC(=O)CCC2)C1=N[N-]N=N1	REAL000000006580	1	40	-1.0	-52.61	334.32	1.30	-51.31
CCCC(NC(=O)C1=COC2=C1NC(=O)CCC2)C1=NNN=N1	REAL000000006580	1	41	0.0	-17.95	337.76	1.31	-16.64
CCCC(NC(=O)C(C)C1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL000000006581	0	38	-1.0	-45.16	337.51	5.44	-39.72
CCCC(NC(=O)C(C)C1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL000000006581	1	38	-1.0	-45.15	337.45	5.44	-39.71
CCCC(NC(=O)C(C)C1=CC=C(F)C(Cl)=C1)C1=NNN=N1	REAL000000006581	1	39	0.0	-10.04	333.65	5.13	-4.92
CCCC(NC(=O)C1=C2C=CC=C(C)C2=CC=N1)C1=NN=N[N-]1	REAL000000006582	0	40	-1.0	-49.42	330.40	4.71	-44.71
CCCC(NC(=O)C1=C2C=CC=C(C)C2=CC=N1)C1=N[N-]N=N1	REAL000000006582	1	40	-1.0	-49.42	330.34	4.70	-44.72
CCCC(NC(=O)C1=C2C=CC=C(C)C2=CC=N1)C1=NNN=N1	REAL000000006582	1	41	0.0	-11.25	333.77	4.71	-6.53
CCCC(NC(=O)C1=C(Cl)N=C2C=CC=CC2=C1)C1=NN=N[N-]1	REAL000000006583	0	37	-1.0	-50.25	328.28	4.46	-45.79
CCCC(NC(=O)C1=C(Cl)N=C2C=CC=CC2=C1)C1=N[N-]N=N1	REAL000000006583	1	37	-1.0	-50.24	328.22	4.45	-45.79
CCCC(NC(=O)C1=C(Cl)N=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000006583	1	38	0.0	-15.99	331.65	4.47	-11.52
CCCC(NC(=O)C1=C(Cl)N=C2C=C(F)C=CC2=C1)C1=NN=N[N-]1	REAL000000006584	0	37	-1.0	-48.84	334.67	4.53	-44.31
CCCC(NC(=O)C1=C(Cl)N=C2C=C(F)C=CC2=C1)C1=N[N-]N=N1	REAL000000006584	1	37	-1.0	-48.84	334.61	4.52	-44.32
CCCC(NC(=O)C1=C(Cl)N=C2C=C(F)C=CC2=C1)C1=NNN=N1	REAL000000006584	1	38	0.0	-16.65	338.04	4.54	-12.12
CCCC(NC(=O)C1=CC2=CC=C(F)C=C2NC1=O)C1=NN=N[N-]1	REAL000000006585	0	38	-1.0	-51.29	329.94	3.05	-48.24
CCCC(NC(=O)C1=CC2=CC=C(F)C=C2NC1=O)C1=N[N-]N=N1	REAL000000006585	1	38	-1.0	-51.30	329.88	3.04	-48.26
CCCC(NC(=O)C1=CC2=CC=C(F)C=C2NC1=O)C1=NNN=N1	REAL000000006585	1	39	0.0	-12.79	333.32	3.06	-9.73
CCCC(NC(=O)CN1N=CC2=NC=CC=C21)C1=NN=N[N-]1	REAL000000006586	0	37	-1.0	-50.22	322.32	1.99	-48.23
CCCC(NC(=O)CN1N=CC2=NC=CC=C21)C1=N[N-]N=N1	REAL000000006586	1	37	-1.0	-50.23	322.26	1.99	-48.24
CCCC(NC(=O)CN1N=CC2=NC=CC=C21)C1=NNN=N1	REAL000000006586	1	38	0.0	-19.29	325.70	2.00	-17.29
CCCC(NC(=O)CCC1=NN=C(C2CC2)N1C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000006587	0	51	-1.0	-51.97	426.48	8.80	-43.17
CCCC(NC(=O)CCC1=NN=C(C2CC2)N1C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000006587	1	51	-1.0	-51.98	426.42	8.80	-43.18
CCCC(NC(=O)CCC1=NN=C(C2CC2)N1C1=CC=CC=C1)C1=NNN=N1	REAL000000006587	1	52	0.0	-15.07	429.87	8.81	-6.26
CCCC(NC(=O)C1=C2C=C(F)C=CC2=CN=C1)C1=NN=N[N-]1	REAL000000006588	0	37	-1.0	-52.58	317.47	4.21	-48.37
CCCC(NC(=O)C1=C2C=C(F)C=CC2=CN=C1)C1=N[N-]N=N1	REAL000000006588	1	37	-1.0	-52.59	317.41	4.20	-48.39
CCCC(NC(=O)C1=C2C=C(F)C=CC2=CN=C1)C1=NNN=N1	REAL000000006588	1	38	0.0	-14.67	320.84	4.22	-10.45
CCCC(NC(=O)C1=CC=CC(Br)=C1OC)C1=NN=N[N-]1	REAL000000006589	0	36	-1.0	-47.89	323.85	4.89	-43.00
CCCC(NC(=O)C1=CC=CC(Br)=C1OC)C1=N[N-]N=N1	REAL000000006589	1	36	-1.0	-47.88	323.79	4.88	-43.01
CCCC(NC(=O)C1=CC=CC(Br)=C1OC)C1=NNN=N1	REAL000000006589	1	37	0.0	-13.35	327.24	4.90	-8.45
CCCC(NC(=O)C1=C2NC=C(C#N)C2=CC=C1)C1=NN=N[N-]1	REAL000000006590	0	37	-1.0	-45.72	324.64	4.31	-41.41
CCCC(NC(=O)C1=C2NC=C(C#N)C2=CC=C1)C1=N[N-]N=N1	REAL000000006590	1	37	-1.0	-45.71	324.58	4.31	-41.40
CCCC(NC(=O)C1=C2NC=C(C#N)C2=CC=C1)C1=NNN=N1	REAL000000006590	1	38	0.0	-13.74	328.02	4.32	-9.42
CCCC(NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000006591	0	51	-1.0	-57.00	417.72	5.12	-51.88
CCCC(NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000006591	1	51	-1.0	-57.00	417.67	5.12	-51.89
CCCC(NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006591	1	52	0.0	-15.27	420.88	5.10	-10.17
CCCC(NC(=O)C1=C(C2CN(C(=O)OC(C)(C)C)C2)OC=N1)C1=NN=N[N-]1	REAL000000006592	0	52	-1.0	-51.42	426.28	1.47	-49.95
CCCC(NC(=O)C1=C(C2CN(C(=O)OC(C)(C)C)C2)OC=N1)C1=N[N-]N=N1	REAL000000006592	1	52	-1.0	-51.42	426.22	1.46	-49.96
CCCC(NC(=O)C1=C(C2CN(C(=O)OC(C)(C)C)C2)OC=N1)C1=NNN=N1	REAL000000006592	1	53	0.0	-15.25	429.65	1.48	-13.77
CCCC(NC(=O)CN1C=CC2=C(N)C=CC=C21)C1=NN=N[N-]1	REAL000000006593	0	41	-1.0	-49.61	346.97	3.66	-45.95
CCCC(NC(=O)CN1C=CC2=C(N)C=CC=C21)C1=N[N-]N=N1	REAL000000006593	1	41	-1.0	-49.60	346.92	3.65	-45.95
CCCC(NC(=O)CN1C=CC2=C(N)C=CC=C21)C1=NNN=N1	REAL000000006593	1	42	0.0	-16.48	350.34	3.67	-12.81
CCCC(NC(=O)C1=CC(C(=O)OC(C)(C)C)=NN1)C1=NN=N[N-]1	REAL000000006594	0	44	-1.0	-45.20	367.95	2.72	-42.48
CCCC(NC(=O)C1=CC(C(=O)OC(C)(C)C)=NN1)C1=N[N-]N=N1	REAL000000006594	1	44	-1.0	-45.19	367.89	2.71	-42.49
CCCC(NC(=O)C1=CC(C(=O)OC(C)(C)C)=NN1)C1=NNN=N1	REAL000000006594	1	45	0.0	-10.50	364.13	2.40	-8.10
CCCC(NC(=O)C1=C(Br)NN=C1Br)C1=NN=N[N-]1	REAL000000006596	0	29	-1.0	-43.58	301.38	0.98	-42.60
CCCC(NC(=O)[C@@H]1CSCN1C(=O)CC)C1=NN=N[N-]1	REAL000000006597	0	40	-1.0	-54.42	336.41	3.95	-50.48
CCCC(NC(=O)[C@@H]1CSCN1C(=O)CC)C1=N[N-]N=N1	REAL000000006597	1	40	-1.0	-54.42	336.35	3.95	-50.47
CCCC(NC(=O)[C@@H]1CSCN1C(=O)CC)C1=NNN=N1	REAL000000006597	1	41	0.0	-15.45	341.29	3.77	-11.68
CCCC(NC(=O)C1=CC2=C(S1)C(Br)=CS2)C1=NN=N[N-]1	REAL000000006598	0	32	-1.0	-44.01	325.07	4.75	-39.26
CCCC(NC(=O)C1=CC2=C(S1)C(Br)=CS2)C1=N[N-]N=N1	REAL000000006598	1	32	-1.0	-44.01	325.01	4.74	-39.26
CCCC(NC(=O)C1=CC2=C(S1)C(Br)=CS2)C1=NNN=N1	REAL000000006598	1	33	0.0	-9.12	328.45	4.76	-4.36
CCCC(NC(=O)C1=CC=CC(OC(C)C)=C1Cl)C1=NN=N[N-]1	REAL000000006599	0	42	-1.0	-51.08	355.41	5.08	-46.00
CCCC(NC(=O)C1=CC=CC(OC(C)C)=C1Cl)C1=N[N-]N=N1	REAL000000006599	1	42	-1.0	-51.08	355.35	5.08	-46.00
CCCC(NC(=O)C1=CC=CC(OC(C)C)=C1Cl)C1=NNN=N1	REAL000000006599	1	43	0.0	-14.77	358.79	5.08	-9.69
CCCC(NC(=O)CC1=CN=CC(Br)=C1)C1=NN=N[N-]1	REAL000000006600	0	34	-1.0	-46.39	315.15	3.14	-43.25
CCCC(NC(=O)CC1=CN=CC(Br)=C1)C1=N[N-]N=N1	REAL000000006600	1	34	-1.0	-46.38	315.09	3.13	-43.25
CCCC(NC(=O)CC1=CN=CC(Br)=C1)C1=NNN=N1	REAL000000006600	1	35	0.0	-13.02	318.53	3.15	-9.87
CCCC(NC(=O)C1=CC=C2C=C(C3=CC=CC=C3)NC2=C1)C1=NN=N[N-]1	REAL000000006601	0	46	-1.0	-49.40	383.00	7.21	-42.19
CCCC(NC(=O)C1=CC=C2C=C(C3=CC=CC=C3)NC2=C1)C1=N[N-]N=N1	REAL000000006601	1	46	-1.0	-49.40	382.94	7.20	-42.20
CCCC(NC(=O)C1=CC=C2C=C(C3=CC=CC=C3)NC2=C1)C1=NNN=N1	REAL000000006601	1	47	0.0	-13.11	386.37	7.22	-5.89
CCCC(NC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000006602	0	52	-1.0	-46.92	408.44	3.17	-43.74
CCCC(NC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000006602	1	52	-1.0	-46.92	408.39	3.17	-43.74
CCCC(NC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006602	1	53	0.0	-12.86	411.15	3.15	-9.71
CCCC(NC(=O)C1=CC=C(C2=CNN=C2)C=C1)C1=NN=N[N-]1	REAL000000006603	0	39	-1.0	-51.32	331.38	3.63	-47.70
CCCC(NC(=O)C1=CC=C(C2=CNN=C2)C=C1)C1=N[N-]N=N1	REAL000000006603	1	39	-1.0	-51.33	331.32	3.63	-47.70
CCCC(NC(=O)C1=CC=C(C2=CNN=C2)C=C1)C1=NNN=N1	REAL000000006603	1	40	0.0	-15.70	334.76	3.64	-12.06
CCCC(NC(=O)C1=CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000006604	0	47	-1.0	-46.61	381.86	3.59	-43.02
CCCC(NC(=O)C1=CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000006604	1	47	-1.0	-46.61	381.81	3.58	-43.03
CCCC(NC(=O)C1=CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006604	1	48	0.0	-12.06	385.24	3.60	-8.46
CCCC(NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006605	0	61	-1.0	-43.96	457.45	5.47	-38.49
CCCC(NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006605	1	61	-1.0	-43.96	457.39	5.47	-38.49
CCCC(NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006605	1	62	0.0	-11.73	453.93	5.49	-6.24
CCCC(NC(=O)C(CN1C=NC=N1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006606	0	51	-1.0	-41.82	410.19	3.91	-37.92
CCCC(NC(=O)C(CN1C=NC=N1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006606	1	51	-1.0	-41.81	410.13	3.90	-37.91
CCCC(NC(=O)C(CN1C=NC=N1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006606	1	52	0.0	-15.84	413.57	3.92	-11.92
CCCC(NC(=O)C1=CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000006607	0	50	-1.0	-47.85	393.95	4.54	-43.31
CCCC(NC(=O)C1=CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000006607	1	50	-1.0	-47.85	393.90	4.53	-43.32
CCCC(NC(=O)C1=CCCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006607	1	51	0.0	-12.94	397.33	4.55	-8.39
C=CCC(NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=NN=N[N-]1	REAL000000006608	0	49	-1.0	-42.24	391.49	2.48	-39.76
C=CCC(NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=N[N-]N=N1	REAL000000006608	1	49	-1.0	-42.23	391.43	2.48	-39.75
C=CCC(NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=NNN=N1	REAL000000006608	1	50	0.0	-9.97	394.86	2.49	-7.48
CCCC(NC(=O)C(O)C1=CC=C(F)C=C1C)C1=NN=N[N-]1	REAL000000006609	0	39	-1.0	-43.36	324.28	3.19	-40.17
CCCC(NC(=O)C(O)C1=CC=C(F)C=C1C)C1=N[N-]N=N1	REAL000000006609	1	39	-1.0	-43.35	324.22	3.18	-40.17
CCCC(NC(=O)C(O)C1=CC=C(F)C=C1C)C1=NNN=N1	REAL000000006609	1	40	0.0	-11.63	329.03	3.13	-8.51
CCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)C1=NN=N[N-]1	REAL000000006610	0	49	-1.0	-44.13	385.80	-1.11	-45.24
CCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)C1=N[N-]N=N1	REAL000000006610	1	49	-1.0	-44.12	385.74	-1.12	-45.24
CCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)C1=NNN=N1	REAL000000006610	1	50	0.0	-9.46	382.62	-1.67	-11.13
CCCC(NC(=O)C1=C(C(C)=O)NC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000006611	0	41	-1.0	-60.22	351.61	4.05	-56.18
CCCC(NC(=O)C1=C(C(C)=O)NC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000006611	1	41	-1.0	-60.24	351.55	4.05	-56.19
CCCC(NC(=O)C1=C(C(C)=O)NC2=CC=CC=C21)C1=NNN=N1	REAL000000006611	1	42	0.0	-17.73	355.91	4.04	-13.69
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC2=CNN=C21)C1=NN=N[N-]1	REAL000000006612	0	53	-1.0	-56.79	417.20	3.76	-53.03
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC2=CNN=C21)C1=N[N-]N=N1	REAL000000006612	1	53	-1.0	-56.78	417.14	3.75	-53.03
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC2=CNN=C21)C1=NNN=N1	REAL000000006612	1	54	0.0	-16.50	420.58	3.77	-12.73
CCCC(NC(=O)C1CC2CC1CC2NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006613	0	56	-1.0	-62.30	426.99	3.94	-58.36
CCCC(NC(=O)C1CC2CC1CC2NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006613	1	56	-1.0	-62.30	426.93	3.94	-58.36
CCCC(NC(=O)C1CC2CC1CC2NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006613	1	57	0.0	-16.81	430.40	3.96	-12.85
CCCC(NC(=O)CC(CC1CCCC1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006614	0	61	-1.0	-53.27	466.55	5.59	-47.68
CCCC(NC(=O)CC(CC1CCCC1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006614	1	61	-1.0	-53.26	466.49	5.58	-47.69
CCCC(NC(=O)CC(CC1CCCC1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006614	1	62	0.0	-16.07	469.93	5.60	-10.47
CCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006615	0	61	-1.0	-44.75	467.51	3.87	-40.88
CCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006615	1	61	-1.0	-44.76	467.46	3.87	-40.89
CCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)C1=NNN=N1	REAL000000006615	1	62	0.0	-9.03	474.34	3.81	-5.23
CCCC(NC(=O)C1=NN(C)C(C(F)(F)F)=C1Br)C1=NN=N[N-]1	REAL000000006616	0	35	-1.0	-44.90	333.17	2.76	-42.13
CCCC(NC(=O)C1=NN(C)C(C(F)(F)F)=C1Br)C1=N[N-]N=N1	REAL000000006616	1	35	-1.0	-44.89	333.11	2.77	-42.12
CCCC(NC(=O)C1=NN(C)C(C(F)(F)F)=C1Br)C1=NNN=N1	REAL000000006616	1	36	0.0	-10.49	336.54	2.78	-7.72
CCCC(NC(=O)C1=CC=C(C)C(Br)=C1F)C1=NN=N[N-]1	REAL000000006617	0	35	-1.0	-50.99	317.64	4.90	-46.09
CCCC(NC(=O)C1=CC=C(C)C(Br)=C1F)C1=N[N-]N=N1	REAL000000006617	1	35	-1.0	-50.98	317.58	4.90	-46.08
CCCC(NC(=O)C1=CC=C(C)C(Br)=C1F)C1=NNN=N1	REAL000000006617	1	36	0.0	-15.47	321.02	4.91	-10.56
CCCC(NC(=O)C1=C2C=COC2=CC=C1F)C1=NN=N[N-]1	REAL000000006618	0	35	-1.0	-53.07	311.99	3.87	-49.20
CCCC(NC(=O)C1=C2C=COC2=CC=C1F)C1=N[N-]N=N1	REAL000000006618	1	35	-1.0	-53.07	311.93	3.87	-49.20
CCCC(NC(=O)C1=C2C=COC2=CC=C1F)C1=NNN=N1	REAL000000006618	1	36	0.0	-11.09	308.16	3.55	-7.54
CCCC(NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000006619	0	52	-1.0	-46.98	403.17	4.56	-42.42
CCCC(NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000006619	1	52	-1.0	-46.98	403.11	4.55	-42.43
CCCC(NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006619	1	53	0.0	-9.13	399.36	4.25	-4.88
CCCC(NC(=O)C1=CC=C2N=CC(=O)NC2=C1)C1=NN=N[N-]1	REAL000000006620	0	37	-1.0	-46.96	320.87	0.84	-46.11
CCCC(NC(=O)C1=CC=C2N=CC(=O)NC2=C1)C1=N[N-]N=N1	REAL000000006620	1	37	-1.0	-46.95	320.81	0.85	-46.10
CCCC(NC(=O)C1=CC=C2N=CC(=O)NC2=C1)C1=NNN=N1	REAL000000006620	1	38	0.0	-14.55	324.24	0.85	-13.70
CCCC(NC(=O)C1=CC(OC)=CC(C(=O)OC)=N1)C1=NN=N[N-]1	REAL000000006621	0	41	-1.0	-45.40	357.05	1.87	-43.53
CCCC(NC(=O)C1=CC(OC)=CC(C(=O)OC)=N1)C1=N[N-]N=N1	REAL000000006621	1	41	-1.0	-45.39	356.99	1.86	-43.53
CCCC(NC(=O)C1=CC(OC)=CC(C(=O)OC)=N1)C1=NNN=N1	REAL000000006621	1	42	0.0	-8.94	353.25	1.54	-7.40
CCCC(NC(=O)CC1(COC)CCOCC1)C1=NN=N[N-]1	REAL000000006622	0	46	-1.0	-44.39	350.30	1.66	-42.73
CCCC(NC(=O)CC1(COC)CCOCC1)C1=N[N-]N=N1	REAL000000006622	1	46	-1.0	-44.38	350.24	1.65	-42.74
CCCC(NC(=O)CC1(COC)CCOCC1)C1=NNN=N1	REAL000000006622	1	47	0.0	-6.47	346.51	1.33	-5.14
CCCC(NC(=O)[C@@H]1CC2=CN=CN2C(=O)N1)C1=NN=N[N-]1	REAL000000006623	0	37	-1.0	-54.89	315.86	1.76	-53.13
CCCC(NC(=O)[C@@H]1CC2=CN=CN2C(=O)N1)C1=N[N-]N=N1	REAL000000006623	1	37	-1.0	-54.89	315.80	1.76	-53.12
CCCC(NC(=O)[C@@H]1CC2=CN=CN2C(=O)N1)C1=NNN=N1	REAL000000006623	1	38	0.0	-22.58	319.22	1.75	-20.83
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=N2)C=C1)C1=NN=N[N-]1	REAL000000006624	0	42	-1.0	-49.01	360.93	4.01	-45.00
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=N2)C=C1)C1=N[N-]N=N1	REAL000000006624	1	42	-1.0	-49.01	360.87	4.01	-44.99
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=N2)C=C1)C1=NNN=N1	REAL000000006624	1	43	0.0	-13.81	364.31	4.02	-9.79
CCCC(NC(=O)C1=C2N=C(C)C=C(C(F)F)N2N=C1)C1=NN=N[N-]1	REAL000000006625	0	40	-1.0	-63.42	354.65	3.97	-59.45
CCCC(NC(=O)C1=C2N=C(C)C=C(C(F)F)N2N=C1)C1=N[N-]N=N1	REAL000000006625	1	40	-1.0	-63.42	354.59	3.97	-59.45
CCCC(NC(=O)C1=C2N=C(C)C=C(C(F)F)N2N=C1)C1=NNN=N1	REAL000000006625	1	41	0.0	-24.78	358.03	3.98	-20.79
CCCC(NC(=O)C1=CC2=C(C=C1Cl)OCO2)C1=NN=N[N-]1	REAL000000006626	0	35	-1.0	-45.40	312.88	2.84	-42.56
CCCC(NC(=O)C1=CC2=C(C=C1Cl)OCO2)C1=N[N-]N=N1	REAL000000006626	1	35	-1.0	-45.40	312.82	2.84	-42.56
CCCC(NC(=O)C1=CC2=C(C=C1Cl)OCO2)C1=NNN=N1	REAL000000006626	1	36	0.0	-8.34	309.06	2.53	-5.81
CCCC(NC(=O)C1=C2C=CC=C(C(F)(F)F)C2=CN=C1)C1=NN=N[N-]1	REAL000000006627	0	40	-1.0	-43.53	345.10	4.96	-38.57
CCCC(NC(=O)C1=C2C=CC=C(C(F)(F)F)C2=CN=C1)C1=N[N-]N=N1	REAL000000006627	1	40	-1.0	-43.53	345.05	4.95	-38.58
CCCC(NC(=O)C1=C2C=CC=C(C(F)(F)F)C2=CN=C1)C1=NNN=N1	REAL000000006627	1	41	0.0	-7.90	341.28	4.64	-3.26
CCCC(NC(=O)C1=C(C(C)C)N2CCCCC2=N1)C1=NN=N[N-]1	REAL000000006628	0	48	-1.0	-52.26	371.48	5.30	-46.96
CCCC(NC(=O)C1=C(C(C)C)N2CCCCC2=N1)C1=N[N-]N=N1	REAL000000006628	1	48	-1.0	-52.26	371.43	5.31	-46.96
CCCC(NC(=O)C1=C(C(C)C)N2CCCCC2=N1)C1=NNN=N1	REAL000000006628	1	49	0.0	-12.69	374.98	5.31	-7.38
CCCC(NC(=O)C1=CC(C)=NC2=NC=NN21)C1=NN=N[N-]1	REAL000000006629	0	36	-1.0	-47.22	311.00	5.57	-41.65
CCCC(NC(=O)C1=CC(C)=NC2=NC=NN21)C1=N[N-]N=N1	REAL000000006629	1	36	-1.0	-47.21	310.94	5.57	-41.65
CCCC(NC(=O)C1=CC(C)=NC2=NC=NN21)C1=NNN=N1	REAL000000006629	1	37	0.0	-14.08	314.38	5.58	-8.51
CCCC(NC(=O)C1=CN=C(C2CCC2)C=C1C)C1=NN=N[N-]1	REAL000000006630	0	44	-1.0	-44.48	351.51	5.09	-39.39
CCCC(NC(=O)C1=CN=C(C2CCC2)C=C1C)C1=N[N-]N=N1	REAL000000006630	1	44	-1.0	-44.48	351.45	5.09	-39.39
CCCC(NC(=O)C1=CN=C(C2CCC2)C=C1C)C1=NNN=N1	REAL000000006630	1	45	0.0	-9.58	354.85	5.10	-4.48
CCCC(NC(=O)C[C@H]1C[C@@H](C(C)C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL000000006631	0	51	-1.0	-44.91	393.86	7.72	-37.19
CCCC(NC(=O)C[C@H]1C[C@@H](C(C)C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL000000006631	1	51	-1.0	-44.91	393.80	7.71	-37.19
CCCC(NC(=O)C[C@H]1C[C@@H](C(C)C)C2=CC=CC=C21)C1=NNN=N1	REAL000000006631	1	52	0.0	-9.41	397.63	7.73	-1.68
CCCC(NC(=O)C1COC2=CC=CC(OC)=C2C1)C1=NN=N[N-]1	REAL000000006632	0	44	-1.0	-48.63	357.32	3.54	-45.09
CCCC(NC(=O)C1COC2=CC=CC(OC)=C2C1)C1=N[N-]N=N1	REAL000000006632	1	44	-1.0	-48.63	357.26	3.55	-45.08
CCCC(NC(=O)C1COC2=CC=CC(OC)=C2C1)C1=NNN=N1	REAL000000006632	1	45	0.0	-13.18	360.70	3.55	-9.63
CCCC(NC(=O)C1=CC2=C(Br)C=CC(Cl)=C2N1)C1=NN=N[N-]1	REAL000000006633	0	36	-1.0	-44.06	345.85	4.68	-39.39
CCCC(NC(=O)C1=CC2=C(Br)C=CC(Cl)=C2N1)C1=N[N-]N=N1	REAL000000006633	1	36	-1.0	-44.06	345.79	4.68	-39.38
CCCC(NC(=O)C1=CC2=C(Br)C=CC(Cl)=C2N1)C1=NNN=N1	REAL000000006633	1	37	0.0	-10.20	349.23	4.68	-5.52
CCCC(NC(=O)C1=CC2=C(C)C(F)=CC=C2N1)C1=NN=N[N-]1	REAL000000006634	0	39	-1.0	-44.93	334.13	4.25	-40.68
CCCC(NC(=O)C1=CC2=C(C)C(F)=CC=C2N1)C1=N[N-]N=N1	REAL000000006634	1	39	-1.0	-44.92	334.07	4.25	-40.67
CCCC(NC(=O)C1=CC2=C(C)C(F)=CC=C2N1)C1=NNN=N1	REAL000000006634	1	40	0.0	-11.96	337.49	4.26	-7.70
CCCC(NC(=O)C1=CC2=C(C)C(Cl)=CC=C2N1)C1=NN=N[N-]1	REAL000000006635	0	39	-1.0	-44.51	342.81	4.64	-39.87
CCCC(NC(=O)C1=CC2=C(C)C(Cl)=CC=C2N1)C1=N[N-]N=N1	REAL000000006635	1	39	-1.0	-44.51	342.75	4.64	-39.87
CCCC(NC(=O)C1=CC2=C(C)C(Cl)=CC=C2N1)C1=NNN=N1	REAL000000006635	1	40	0.0	-11.23	346.19	4.65	-6.58
CCCC(NC(=O)C1=C(C)N=C(COC2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL000000006636	0	45	-1.0	-45.41	390.34	4.73	-40.68
CCCC(NC(=O)C1=C(C)N=C(COC2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL000000006636	1	45	-1.0	-45.41	390.28	4.73	-40.68
CCCC(NC(=O)C1=C(C)N=C(COC2=CC=CC=C2)S1)C1=NNN=N1	REAL000000006636	1	46	0.0	-12.31	393.71	4.74	-7.57
CCCC(NC(=O)C1=NN2CCNC(=O)C2=C1)C1=NN=N[N-]1	REAL000000006637	0	37	-1.0	-55.22	319.10	-0.99	-56.22
CCCC(NC(=O)C1=NN2CCNC(=O)C2=C1)C1=N[N-]N=N1	REAL000000006637	1	37	-1.0	-55.22	319.04	-1.00	-56.22
CCCC(NC(=O)C1=NN2CCNC(=O)C2=C1)C1=NNN=N1	REAL000000006637	1	38	0.0	-15.85	315.31	-1.32	-17.16
CCCC(NC(=O)C1=C(C)C=C2N=CC=NC2=C1)C1=NN=N[N-]1	REAL000000006638	0	39	-1.0	-47.81	326.27	2.77	-45.04
CCCC(NC(=O)C1=C(C)C=C2N=CC=NC2=C1)C1=N[N-]N=N1	REAL000000006638	1	39	-1.0	-47.81	326.22	2.76	-45.05
CCCC(NC(=O)C1=C(C)C=C2N=CC=NC2=C1)C1=NNN=N1	REAL000000006638	1	40	0.0	-12.61	329.65	2.78	-9.83
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(=O)CC1)C1=NN=N[N-]1	REAL000000006639	0	43	-1.0	-42.97	370.10	4.37	-38.60
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(=O)CC1)C1=N[N-]N=N1	REAL000000006639	1	43	-1.0	-42.97	370.04	4.36	-38.61
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(=O)CC1)C1=NNN=N1	REAL000000006639	1	44	0.0	-11.86	373.47	4.37	-7.49
CCCC(NC(=O)C1=NN(C2=CC=C(C)C=C2)C(=O)CC1)C1=NN=N[N-]1	REAL000000006640	0	46	-1.0	-43.80	385.08	4.97	-38.84
CCCC(NC(=O)C1=NN(C2=CC=C(C)C=C2)C(=O)CC1)C1=N[N-]N=N1	REAL000000006640	1	46	-1.0	-43.79	385.02	4.97	-38.83
CCCC(NC(=O)C1=NN(C2=CC=C(C)C=C2)C(=O)CC1)C1=NNN=N1	REAL000000006640	1	47	0.0	-10.86	381.25	4.65	-6.22
CCCC(NC(=O)C1=CC(Cl)=NC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000006641	0	41	-1.0	-43.45	363.26	5.96	-37.50
CCCC(NC(=O)C1=CC(Cl)=NC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000006641	1	41	-1.0	-43.45	363.20	5.95	-37.50
CCCC(NC(=O)C1=CC(Cl)=NC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000006641	1	42	0.0	-10.98	366.64	5.97	-5.02
CCCC(NC(=O)C1CCC2C(CC1)C2(F)F)C1=NN=N[N-]1	REAL000000006642	0	42	-1.0	-54.44	327.41	5.13	-49.31
CCCC(NC(=O)C1CCC2C(CC1)C2(F)F)C1=N[N-]N=N1	REAL000000006642	1	42	-1.0	-54.44	327.35	5.12	-49.32
CCCC(NC(=O)C1CCC2C(CC1)C2(F)F)C1=NNN=N1	REAL000000006642	1	43	0.0	-12.78	330.79	5.14	-7.64
CCCC(NC(=O)C1=NN(CCOCCOC)C=C1)C1=NN=N[N-]1	REAL000000006643	0	46	-1.0	-50.18	390.44	1.60	-48.58
CCCC(NC(=O)C1=NN(CCOCCOC)C=C1)C1=N[N-]N=N1	REAL000000006643	1	46	-1.0	-50.18	390.38	1.60	-48.58
CCCC(NC(=O)C1=NN(CCOCCOC)C=C1)C1=NNN=N1	REAL000000006643	1	47	0.0	-13.47	393.82	1.61	-11.85
CCCC(NC(=O)C1=CC=NN1CCOCCOC)C1=NN=N[N-]1	REAL000000006644	0	46	-1.0	-45.75	385.53	1.55	-44.20
CCCC(NC(=O)C1=CC=NN1CCOCCOC)C1=N[N-]N=N1	REAL000000006644	1	46	-1.0	-45.75	385.48	1.54	-44.21
CCCC(NC(=O)C1=CC=NN1CCOCCOC)C1=NNN=N1	REAL000000006644	1	47	0.0	-10.95	382.09	1.19	-9.76
CCCC(NC(=O)C1=CC=C(CCC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000006645	0	48	-1.0	-47.67	398.64	8.86	-38.81
CCCC(NC(=O)C1=CC=C(CCC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000006645	1	48	-1.0	-47.66	398.58	8.87	-38.80
CCCC(NC(=O)C1=CC=C(CCC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000006645	1	49	0.0	-11.87	402.02	8.87	-3.00
CCCC(NC(=O)C1=CC=CC2=C1CNC2=O)C1=NN=N[N-]1	REAL000000006646	0	37	-1.0	-46.51	315.05	1.08	-45.43
CCCC(NC(=O)C1=CC=CC2=C1CNC2=O)C1=N[N-]N=N1	REAL000000006646	1	37	-1.0	-46.51	315.00	1.07	-45.44
CCCC(NC(=O)C1=CC=CC2=C1CNC2=O)C1=NNN=N1	REAL000000006646	1	38	0.0	-15.25	318.43	1.09	-14.16
CCCC(NC(=O)C1=NN(CCC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000006647	0	38	-1.0	-49.21	340.92	3.43	-45.78
CCCC(NC(=O)C1=NN(CCC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000006647	1	38	-1.0	-49.20	340.86	3.42	-45.78
CCCC(NC(=O)C1=NN(CCC(F)(F)F)C=C1)C1=NNN=N1	REAL000000006647	1	39	0.0	-12.87	344.29	3.44	-9.43
CCCC(NC(=O)C1=CC=C(C(F)C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000006648	0	38	-1.0	-46.16	338.51	5.42	-40.74
CCCC(NC(=O)C1=CC=C(C(F)C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000006648	1	38	-1.0	-46.14	338.45	5.42	-40.72
CCCC(NC(=O)C1=CC=C(C(F)C(F)(F)F)C=C1)C1=NNN=N1	REAL000000006648	1	39	0.0	-8.75	334.69	5.11	-3.64
CCCC(NC(=O)C1=CC=C(C2=CSC=C2)N=C1)C1=NN=N[N-]1	REAL000000006649	0	38	-1.0	-46.04	336.83	4.42	-41.62
CCCC(NC(=O)C1=CC=C(C2=CSC=C2)N=C1)C1=N[N-]N=N1	REAL000000006649	1	38	-1.0	-46.03	336.77	4.42	-41.62
CCCC(NC(=O)C1=CC=C(C2=CSC=C2)N=C1)C1=NNN=N1	REAL000000006649	1	39	0.0	-8.84	333.03	4.09	-4.75
CCCC(NC(=O)C[C@@H]1CCC[C@H](C2CC2)O1)C1=NN=N[N-]1	REAL000000006650	0	46	-1.0	-48.13	363.74	5.70	-42.43
CCCC(NC(=O)C[C@@H]1CCC[C@H](C2CC2)O1)C1=N[N-]N=N1	REAL000000006650	1	46	-1.0	-48.13	363.68	5.70	-42.44
CCCC(NC(=O)C[C@@H]1CCC[C@H](C2CC2)O1)C1=NNN=N1	REAL000000006650	1	47	0.0	-11.86	367.11	5.72	-6.15
CCCC(NC(=O)C(CC1CCCCC1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000006651	0	54	-1.0	-44.56	417.03	8.68	-35.87
CCCC(NC(=O)C(CC1CCCCC1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000006651	1	54	-1.0	-44.56	416.97	8.68	-35.88
CCCC(NC(=O)C(CC1CCCCC1)C1=CC=CC=C1)C1=NNN=N1	REAL000000006651	1	55	0.0	-8.66	420.36	8.69	0.03
CCCC(NC(=O)C(C)C(C)C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL000000006652	0	44	-1.0	-48.85	361.45	6.41	-42.44
CCCC(NC(=O)C(C)C(C)C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL000000006652	1	44	-1.0	-48.84	361.40	6.41	-42.43
CCCC(NC(=O)C(C)C(C)C1=CC=CC=C1Cl)C1=NNN=N1	REAL000000006652	1	45	0.0	-10.60	364.86	6.42	-4.18
CCCC(NC(=O)C1=CC=C(CC2CCC2)C=C1)C1=NN=N[N-]1	REAL000000006653	0	45	-1.0	-46.58	365.47	7.17	-39.41
CCCC(NC(=O)C1=CC=C(CC2CCC2)C=C1)C1=N[N-]N=N1	REAL000000006653	1	45	-1.0	-46.58	365.41	7.16	-39.42
CCCC(NC(=O)C1=CC=C(CC2CCC2)C=C1)C1=NNN=N1	REAL000000006653	1	46	0.0	-10.54	368.85	7.18	-3.36
CCCC(NC(=O)C1=CC=C(F)C(OC(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000006654	0	36	-1.0	-45.85	326.54	3.51	-42.34
CCCC(NC(=O)C1=CC=C(F)C(OC(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000006654	1	36	-1.0	-45.85	326.49	3.50	-42.34
CCCC(NC(=O)C1=CC=C(F)C(OC(F)(F)F)=C1)C1=NNN=N1	REAL000000006654	1	37	0.0	-13.15	329.92	3.52	-9.62
CCCC(NC(=O)C1=CC=C2N=C(N(C)C)OC2=C1)C1=NN=N[N-]1	REAL000000006655	0	42	-1.0	-49.71	353.52	2.23	-47.47
CCCC(NC(=O)C1=CC=C2N=C(N(C)C)OC2=C1)C1=N[N-]N=N1	REAL000000006655	1	42	-1.0	-49.71	353.47	2.22	-47.48
CCCC(NC(=O)C1=CC=C2N=C(N(C)C)OC2=C1)C1=NNN=N1	REAL000000006655	1	43	0.0	-11.92	349.70	1.91	-10.00
CCCC(NC(=O)C1=CC=C(S(C)(=N)=O)C=C1)C1=NN=N[N-]1	REAL000000006656	0	39	-1.0	-56.28	339.45	0.33	-55.95
CCCC(NC(=O)C1=CC=C(S(C)(=N)=O)C=C1)C1=N[N-]N=N1	REAL000000006656	1	39	-1.0	-56.27	339.40	0.32	-55.95
CCCC(NC(=O)C1=CC=C(S(C)(=N)=O)C=C1)C1=NNN=N1	REAL000000006656	1	40	0.0	-19.40	335.63	0.01	-19.40
CCCC(NC(=O)C(F)(F)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL000000006657	0	35	-1.0	-41.17	319.58	4.49	-36.67
CCCC(NC(=O)C(O)C1=CC=C(Cl)C(Br)=C1)C1=NN=N[N-]1	REAL000000006658	0	36	-1.0	-46.80	342.70	3.45	-43.35
CCCC(NC(=O)C(O)C1=CC=C(Cl)C(Br)=C1)C1=N[N-]N=N1	REAL000000006658	1	36	-1.0	-46.80	342.64	3.45	-43.35
CCCC(NC(=O)C(O)C1=CC=C(Cl)C(Br)=C1)C1=NNN=N1	REAL000000006658	1	37	0.0	-9.74	338.92	3.04	-6.70
CCCC(NC(=O)C1=NN(C)C(C)=C1Br)C1=NN=N[N-]1	REAL000000006659	0	35	-1.0	-50.45	317.85	2.53	-47.92
CCCC(NC(=O)C1=NN(C)C(C)=C1Br)C1=N[N-]N=N1	REAL000000006659	1	35	-1.0	-50.45	317.79	2.52	-47.93
CCCC(NC(=O)C1=NN(C)C(C)=C1Br)C1=NNN=N1	REAL000000006659	1	36	0.0	-13.26	321.22	2.54	-10.72
CCCC(NC(=O)C1=CC=C(F)C(C(F)(F)F)=C1F)C1=NN=N[N-]1	REAL000000006660	0	35	-1.0	-49.08	320.15	4.71	-44.37
CCCC(NC(=O)C1=CC=C(F)C(C(F)(F)F)=C1F)C1=N[N-]N=N1	REAL000000006660	1	35	-1.0	-49.08	320.09	4.71	-44.37
CCCC(NC(=O)C1=CC=C(F)C(C(F)(F)F)=C1F)C1=NNN=N1	REAL000000006660	1	36	0.0	-16.54	323.52	4.72	-11.82
CCCC(NC(=O)CC1(CNC(C)=O)CCCCC1)C1=NN=N[N-]1	REAL000000006661	0	51	-1.0	-58.04	382.62	3.43	-54.61
CCCC(NC(=O)CC1(CNC(C)=O)CCCCC1)C1=N[N-]N=N1	REAL000000006661	1	51	-1.0	-58.04	382.56	3.42	-54.62
CCCC(NC(=O)CC1(CNC(C)=O)CCCCC1)C1=NNN=N1	REAL000000006661	1	52	0.0	-17.89	386.07	3.43	-14.46
CCCC(NC(=O)C1CC(C)(C)OC(C)(C)C1)C1=NN=N[N-]1	REAL000000006662	0	48	-1.0	-45.62	366.08	4.17	-41.45
CCCC(NC(=O)C1CC(C)(C)OC(C)(C)C1)C1=N[N-]N=N1	REAL000000006662	1	48	-1.0	-45.61	366.02	4.17	-41.44
CCCC(NC(=O)C1CC(C)(C)OC(C)(C)C1)C1=NNN=N1	REAL000000006662	1	49	0.0	-7.03	362.28	3.85	-3.18
CCCC(NC(=O)C1=CC=NC(Br)=C1F)C1=NN=N[N-]1	REAL000000006663	0	31	-1.0	-48.23	294.95	2.44	-45.79
CCCC(NC(=O)C1=CC=NC(Br)=C1F)C1=N[N-]N=N1	REAL000000006663	1	31	-1.0	-48.23	294.89	2.44	-45.78
CCCC(NC(=O)C1=CC=NC(Br)=C1F)C1=NNN=N1	REAL000000006663	1	32	0.0	-15.74	298.33	2.45	-13.29
CCCC(NC(=O)C1=NN(C)C(C)=C1I)C1=NN=N[N-]1	REAL000000006664	0	35	-1.0	-49.29	323.34	2.98	-46.31
CCCC(NC(=O)C1=NN(C)C(C)=C1I)C1=N[N-]N=N1	REAL000000006664	1	35	-1.0	-49.29	323.28	2.97	-46.32
CCCC(NC(=O)C1=NN(C)C(C)=C1I)C1=NNN=N1	REAL000000006664	1	36	0.0	-12.44	326.72	2.99	-9.44
CCCC(NC(=O)C1=C2C=C(Br)C=CC2=NS1)C1=NN=N[N-]1	REAL000000006665	0	34	-1.0	-45.83	326.43	4.18	-41.65
CCCC(NC(=O)C1=C2C=C(Br)C=CC2=NS1)C1=N[N-]N=N1	REAL000000006665	1	34	-1.0	-45.82	326.38	4.17	-41.65
CCCC(NC(=O)C1=C2C=C(Br)C=CC2=NS1)C1=NNN=N1	REAL000000006665	1	35	0.0	-11.86	329.81	4.19	-7.67
CCCC(NC(=O)C1=C(C(F)F)N=C(C2CC2)O1)C1=NN=N[N-]1	REAL000000006666	0	38	-1.0	-47.36	336.19	1.70	-45.66
CCCC(NC(=O)C1=C(C(F)F)N=C(C2CC2)O1)C1=N[N-]N=N1	REAL000000006666	1	38	-1.0	-47.36	336.13	1.70	-45.66
CCCC(NC(=O)C1=C(C(F)F)N=C(C2CC2)O1)C1=NNN=N1	REAL000000006666	1	39	0.0	-11.90	337.73	1.72	-10.18
CCCC(NC(=O)CCOC1=C(F)C=CC=C1Cl)C1=NN=N[N-]1	REAL000000006667	0	39	-1.0	-47.96	355.04	4.73	-43.23
CCCC(NC(=O)CCOC1=C(F)C=CC=C1Cl)C1=N[N-]N=N1	REAL000000006667	1	39	-1.0	-47.96	354.99	4.73	-43.23
CCCC(NC(=O)CCOC1=C(F)C=CC=C1Cl)C1=NNN=N1	REAL000000006667	1	40	0.0	-10.11	351.23	4.41	-5.70
CCCC(NC(=O)C1=CSC(N=S(C)(C)=O)=N1)C1=NN=N[N-]1	REAL000000006668	0	38	-1.0	-67.40	344.83	-0.05	-67.45
CCCC(NC(=O)C1=CSC(N=S(C)(C)=O)=N1)C1=N[N-]N=N1	REAL000000006668	1	38	-1.0	-67.39	344.77	-0.05	-67.45
CCCC(NC(=O)C1=CSC(N=S(C)(C)=O)=N1)C1=NNN=N1	REAL000000006668	1	39	0.0	-24.61	341.03	-0.38	-24.99
CCCC(NC(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000006669	0	47	-1.0	-48.09	399.77	4.87	-43.21
CCCC(NC(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000006669	1	47	-1.0	-48.09	399.71	4.87	-43.21
CCCC(NC(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000006669	1	48	0.0	-21.13	403.16	4.87	-16.26
CCCC(NC(=O)CC1=CC(O)=CC(Br)=C1)C1=NN=N[N-]1	REAL000000006670	0	36	-1.0	-48.20	331.30	2.08	-46.12
CCCC(NC(=O)CC1=CC(O)=CC(Br)=C1)C1=N[N-]N=N1	REAL000000006670	1	36	-1.0	-48.20	331.24	2.08	-46.12
CCCC(NC(=O)CC1=CC(O)=CC(Br)=C1)C1=NNN=N1	REAL000000006670	1	37	0.0	-13.84	334.68	2.09	-11.75
CCCC(NC(=O)CCCCC1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL000000006671	0	45	-1.0	-47.02	374.40	3.83	-43.19
CCCC(NC(=O)CCCCC1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL000000006671	1	45	-1.0	-47.02	374.34	3.82	-43.20
CCCC(NC(=O)CCCCC1=CC=CC(O)=C1)C1=NNN=N1	REAL000000006671	1	46	0.0	-9.78	370.59	3.51	-6.27
CCCC(NC(=O)C1=CN=C2CCCCC2=N1)C1=NN=N[N-]1	REAL000000006672	0	40	-1.0	-45.65	329.58	2.49	-43.16
CCCC(NC(=O)C1=CN=C2CCCCC2=N1)C1=N[N-]N=N1	REAL000000006672	1	40	-1.0	-45.65	329.53	2.48	-43.17
CCCC(NC(=O)C1=CN=C2CCCCC2=N1)C1=NNN=N1	REAL000000006672	1	41	0.0	-7.82	325.79	2.16	-5.65
CCCC(NC(=O)CO[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000006673	0	53	-1.0	-53.62	424.22	4.17	-49.45
CCCC(NC(=O)CO[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000006673	1	53	-1.0	-53.61	424.17	4.16	-49.45
CCCC(NC(=O)CO[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006673	1	54	0.0	-16.74	427.60	4.18	-12.56
CCCC(NC(=O)C=CCCCCCCCO)C1=NN=N[N-]1	REAL000000006674	0	48	-1.0	-47.69	392.54	3.29	-44.39
CCCC(NC(=O)C=CCCCCCCCO)C1=N[N-]N=N1	REAL000000006674	1	48	-1.0	-47.68	392.49	3.29	-44.40
CCCC(NC(=O)C=CCCCCCCCO)C1=NNN=N1	REAL000000006674	1	49	0.0	-9.30	388.74	2.97	-6.33
CCCC(NC(=O)[C@@H]1[C@@H](C(=O)OC)C1(F)F)C1=NN=N[N-]1	REAL000000006675	0	35	-1.0	-44.26	317.54	2.96	-41.29
CCCC(NC(=O)[C@@H]1[C@@H](C(=O)OC)C1(F)F)C1=N[N-]N=N1	REAL000000006675	1	35	-1.0	-44.25	317.49	2.97	-41.29
CCCC(NC(=O)[C@@H]1[C@@H](C(=O)OC)C1(F)F)C1=NNN=N1	REAL000000006675	1	36	0.0	-11.00	320.92	2.97	-8.03
CCCC(NC(=O)C1C2=CNN=C2CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006676	0	50	-1.0	-52.43	404.70	3.11	-49.32
CCCC(NC(=O)C1C2=CNN=C2CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006676	1	50	-1.0	-52.43	404.64	3.11	-49.32
CCCC(NC(=O)C1C2=CNN=C2CN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006676	1	51	0.0	-15.13	400.92	2.71	-12.42
CCCC(NC(=O)C1=CN2N=C(Br)N=C2C=C1)C1=NN=N[N-]1	REAL000000006677	0	34	-1.0	-45.91	317.93	3.86	-42.04
CCCC(NC(=O)C1=CN2N=C(Br)N=C2C=C1)C1=N[N-]N=N1	REAL000000006677	1	34	-1.0	-45.90	317.87	3.85	-42.05
CCCC(NC(=O)C1=CN2N=C(Br)N=C2C=C1)C1=NNN=N1	REAL000000006677	1	35	0.0	-12.29	314.11	3.53	-8.75
CCCC(NC(=O)C1=CC=C(C2(OC)COC2)C=C1)C1=NN=N[N-]1	REAL000000006678	0	44	-1.0	-47.54	354.75	2.98	-44.55
CCCC(NC(=O)C1=CC=C(C2(OC)COC2)C=C1)C1=N[N-]N=N1	REAL000000006678	1	44	-1.0	-47.54	354.69	2.98	-44.55
CCCC(NC(=O)C1=CC=C(C2(OC)COC2)C=C1)C1=NNN=N1	REAL000000006678	1	45	0.0	-12.83	358.12	2.99	-9.84
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1Br)C1=NN=N[N-]1	REAL000000006679	0	39	-1.0	-49.11	354.91	5.44	-43.67
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1Br)C1=N[N-]N=N1	REAL000000006679	1	39	-1.0	-49.11	354.85	5.43	-43.68
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1Br)C1=NNN=N1	REAL000000006679	1	40	0.0	-9.90	351.11	5.12	-4.78
CCCC(NC(=O)CN1CC(C(F)(F)F)CCC1=O)C1=NN=N[N-]1	REAL000000006680	0	42	-1.0	-53.60	356.99	3.53	-50.07
CCCC(NC(=O)CN1CC(C(F)(F)F)CCC1=O)C1=N[N-]N=N1	REAL000000006680	1	42	-1.0	-53.59	356.93	3.52	-50.07
CCCC(NC(=O)CN1CC(C(F)(F)F)CCC1=O)C1=NNN=N1	REAL000000006680	1	43	0.0	-15.46	360.18	3.53	-11.94
CCCC(NC(=O)C1=CC2=C(C=C(Br)S2)S1)C1=NN=N[N-]1	REAL000000006681	0	32	-1.0	-42.65	325.28	4.85	-37.79
CCCC(NC(=O)C1=CC2=C(C=C(Br)S2)S1)C1=N[N-]N=N1	REAL000000006681	1	32	-1.0	-42.65	325.22	4.85	-37.80
CCCC(NC(=O)C1=CC2=C(C=C(Br)S2)S1)C1=NNN=N1	REAL000000006681	1	33	0.0	-8.72	328.66	4.86	-3.86
CCCC(NC(=O)C1=NC(CC)=NC=C1Cl)C1=NN=N[N-]1	REAL000000006682	0	36	-1.0	-43.22	322.66	2.80	-40.41
CCCC(NC(=O)C1=NC(CC)=NC=C1Cl)C1=N[N-]N=N1	REAL000000006682	1	36	-1.0	-43.22	322.60	2.80	-40.41
CCCC(NC(=O)C1=NC(CC)=NC=C1Cl)C1=NNN=N1	REAL000000006682	1	37	0.0	-8.82	326.04	2.81	-6.01
CCCC(NC(=O)C=CC1=CC(Cl)=CC=C1Br)C1=NN=N[N-]1	REAL000000006683	0	36	-1.0	-45.85	343.89	5.87	-39.98
CCCC(NC(=O)C=CC1=CC(Cl)=CC=C1Br)C1=N[N-]N=N1	REAL000000006683	1	36	-1.0	-45.85	343.83	5.87	-39.98
CCCC(NC(=O)C=CC1=CC(Cl)=CC=C1Br)C1=NNN=N1	REAL000000006683	1	37	0.0	-10.81	347.26	5.88	-4.94
CCCC(NC(=O)C1=CC2=C(C=C(C)S2)N1)C1=NN=N[N-]1	REAL000000006684	0	36	-1.0	-46.32	320.08	3.45	-42.88
CCCC(NC(=O)C1=CC2=C(C=C(C)S2)N1)C1=N[N-]N=N1	REAL000000006684	1	36	-1.0	-46.32	320.02	3.45	-42.87
CCCC(NC(=O)C1=CC2=C(C=C(C)S2)N1)C1=NNN=N1	REAL000000006684	1	37	0.0	-11.84	323.46	3.45	-8.39
CCCC(NC(=O)C1=CC2=C(SC(Br)=C2)S1)C1=NN=N[N-]1	REAL000000006685	0	32	-1.0	-42.38	325.50	4.84	-37.54
CCCC(NC(=O)C1=CC=C(NS(=O)(=O)C2CC2)C=C1)C1=NN=N[N-]1	REAL000000006686	0	44	-1.0	-52.49	374.62	1.63	-50.86
CCCC(NC(=O)C1=CC=C(NS(=O)(=O)C2CC2)C=C1)C1=N[N-]N=N1	REAL000000006686	1	44	-1.0	-52.49	374.56	1.63	-50.86
CCCC(NC(=O)C1=CC=C(NS(=O)(=O)C2CC2)C=C1)C1=NNN=N1	REAL000000006686	1	45	0.0	-19.48	378.00	1.64	-17.84
CCCC(NC(=O)C1=CC=CC(NS(=O)(=O)C2CC2)=C1)C1=NN=N[N-]1	REAL000000006687	0	44	-1.0	-50.19	378.63	2.15	-48.04
CCCC(NC(=O)C1=CC=CC(NS(=O)(=O)C2CC2)=C1)C1=N[N-]N=N1	REAL000000006687	1	44	-1.0	-50.18	378.58	2.14	-48.04
CCCC(NC(=O)C1=CC=CC(NS(=O)(=O)C2CC2)=C1)C1=NNN=N1	REAL000000006687	1	45	0.0	-12.86	374.81	1.83	-11.03
CCCC(NC(=O)C1=CC=CC(NS(=O)(=O)C(C)C)=C1)C1=NN=N[N-]1	REAL000000006688	0	46	-1.0	-47.93	388.99	2.03	-45.91
CCCC(NC(=O)C1=CC=CC(NS(=O)(=O)C(C)C)=C1)C1=N[N-]N=N1	REAL000000006688	1	46	-1.0	-47.93	388.94	2.02	-45.91
CCCC(NC(=O)C1=CC=CC(NS(=O)(=O)C(C)C)=C1)C1=NNN=N1	REAL000000006688	1	47	0.0	-15.94	392.39	2.04	-13.90
CCCC(NC(=O)C1=CC2=C(CC(C)(C)CC2)NC1=O)C1=NN=N[N-]1	REAL000000006689	0	48	-1.0	-53.72	375.03	4.19	-49.53
CCCC(NC(=O)C1=CC2=C(CC(C)(C)CC2)NC1=O)C1=N[N-]N=N1	REAL000000006689	1	48	-1.0	-53.73	374.97	4.19	-49.55
CCCC(NC(=O)C1=CC2=C(CC(C)(C)CC2)NC1=O)C1=NNN=N1	REAL000000006689	1	49	0.0	-13.68	378.55	4.20	-9.48
CCCC(NC(=O)C1=CC(Br)=C(F)C=C1C)C1=NN=N[N-]1	REAL000000006690	0	35	-1.0	-41.03	317.38	5.01	-36.03
CCCC(NC(=O)C1=CC(Br)=C(F)C=C1C)C1=N[N-]N=N1	REAL000000006690	1	35	-1.0	-41.03	317.33	5.00	-36.03
CCCC(NC(=O)C1=CC(Br)=C(F)C=C1C)C1=NNN=N1	REAL000000006690	1	36	0.0	-8.32	320.77	5.02	-3.30
CCCC(NC(=O)C(NCC(F)(F)F)C1=CC=C(F)C=C1C)C1=NN=N[N-]1	REAL000000006691	0	46	-1.0	-49.03	395.46	4.21	-44.81
CCCC(NC(=O)C(NCC(F)(F)F)C1=CC=C(F)C=C1C)C1=N[N-]N=N1	REAL000000006691	1	46	-1.0	-49.02	395.40	4.21	-44.81
CCCC(NC(=O)C(NCC(F)(F)F)C1=CC=C(F)C=C1C)C1=NNN=N1	REAL000000006691	1	47	0.0	-10.44	398.70	4.23	-6.21
CCCC(NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C1CC1)C1=NN=N[N-]1	REAL000000006692	0	56	-1.0	-46.38	434.74	5.67	-40.70
CCCC(NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C1CC1)C1=N[N-]N=N1	REAL000000006692	1	56	-1.0	-46.37	434.68	5.67	-40.71
CCCC(NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C1CC1)C1=NNN=N1	REAL000000006692	1	57	0.0	-11.98	437.69	5.67	-6.32
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1OC)C1=NN=N[N-]1	REAL000000006693	0	56	-1.0	-50.53	434.14	4.66	-45.87
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1OC)C1=N[N-]N=N1	REAL000000006693	1	56	-1.0	-50.53	434.09	4.66	-45.87
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1OC)C1=NNN=N1	REAL000000006693	1	57	0.0	-17.07	435.94	4.66	-12.41
CCCC(NC(=O)C(C)CC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000006694	0	53	-1.0	-45.26	411.96	7.94	-37.32
CCCC(NC(=O)C(C)CC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000006694	1	53	-1.0	-45.25	411.90	7.93	-37.33
CCCC(NC(=O)C(C)CC1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000006694	1	54	0.0	-9.49	415.37	7.94	-1.55
CCCC(NC(=O)C1=NN(C)C(C2=CC=C(Cl)C=C2)=C1)C1=NN=N[N-]1	REAL000000006695	0	42	-1.0	-49.13	369.70	5.15	-43.98
CCCC(NC(=O)C1=NN(C)C(C2=CC=C(Cl)C=C2)=C1)C1=N[N-]N=N1	REAL000000006695	1	42	-1.0	-49.14	369.64	5.15	-43.98
CCCC(NC(=O)C1=NN(C)C(C2=CC=C(Cl)C=C2)=C1)C1=NNN=N1	REAL000000006695	1	43	0.0	-10.13	365.91	4.83	-5.30
CCCC(NC(=O)C1=CC=C2SCCCC2=C1)C1=NN=N[N-]1	REAL000000006696	0	40	-1.0	-46.55	336.94	5.85	-40.70
CCCC(NC(=O)C1=CC=C2SCCCC2=C1)C1=N[N-]N=N1	REAL000000006696	1	40	-1.0	-46.55	336.88	5.85	-40.71
CCCC(NC(=O)C1=CC=C2SCCCC2=C1)C1=NNN=N1	REAL000000006696	1	41	0.0	-7.91	333.13	5.53	-2.39
CCCC(NC(=O)C1=CC=C2SCCCCC2=C1)C1=NN=N[N-]1	REAL000000006697	0	43	-1.0	-46.01	353.98	6.45	-39.56
CCCC(NC(=O)C1=CC=C2SCCCCC2=C1)C1=N[N-]N=N1	REAL000000006697	1	43	-1.0	-46.02	353.92	6.45	-39.56
CCCC(NC(=O)C1=CC=C2SCCCCC2=C1)C1=NNN=N1	REAL000000006697	1	44	0.0	-10.68	357.32	6.46	-4.22
CCCC(NC(=O)C1=CC=C(CCC(=O)OC)C=C1)C1=NN=N[N-]1	REAL000000006698	0	44	-1.0	-49.16	372.70	5.88	-43.28
CCCC(NC(=O)C1=CC=C(CCC(=O)OC)C=C1)C1=N[N-]N=N1	REAL000000006698	1	44	-1.0	-49.15	372.64	5.88	-43.27
CCCC(NC(=O)C1=CC=C(CCC(=O)OC)C=C1)C1=NNN=N1	REAL000000006698	1	45	0.0	-14.44	376.08	5.89	-8.55
CCCC(NC(=O)C1=CC=C(F)C(CC=C(C)C)=C1)C1=NN=N[N-]1	REAL000000006699	0	45	-1.0	-44.46	374.73	7.11	-37.35
CCCC(NC(=O)C1=CC=C(F)C(CC=C(C)C)=C1)C1=N[N-]N=N1	REAL000000006699	1	45	-1.0	-44.45	374.68	7.10	-37.34
CCCC(NC(=O)C1=CC=C(F)C(CC=C(C)C)=C1)C1=NNN=N1	REAL000000006699	1	46	0.0	-10.62	377.17	7.07	-3.55
CCCC(NC(=O)CC1=C(Br)N2C=CC=CC2=N1)C1=NN=N[N-]1	REAL000000006700	0	38	-1.0	-52.92	346.50	5.21	-47.70
CCCC(NC(=O)CC1=C(Br)N2C=CC=CC2=N1)C1=N[N-]N=N1	REAL000000006700	1	38	-1.0	-52.92	346.44	5.20	-47.72
CCCC(NC(=O)CC1=C(Br)N2C=CC=CC2=N1)C1=NNN=N1	REAL000000006700	1	39	0.0	-16.79	349.88	5.22	-11.57
CCCC(NC(=O)C1=CC2=C(C=C(Cl)S2)N1)C1=NN=N[N-]1	REAL000000006701	0	33	-1.0	-43.26	315.25	3.26	-40.00
CCCC(NC(=O)C1=CC2=C(C=C(Cl)S2)N1)C1=N[N-]N=N1	REAL000000006701	1	33	-1.0	-43.26	315.19	3.25	-40.01
CCCC(NC(=O)C1=CC2=C(C=C(Cl)S2)N1)C1=NNN=N1	REAL000000006701	1	34	0.0	-10.36	318.63	3.27	-7.09
CCCC(NC(=O)C1=CC=NC(C2=CC=CN=C2)=N1)C1=NN=N[N-]1	REAL000000006702	0	39	-1.0	-46.93	341.09	3.18	-43.75
CCCC(NC(=O)C1=CC=NC(C2=CC=CN=C2)=N1)C1=N[N-]N=N1	REAL000000006702	1	39	-1.0	-46.93	341.04	3.17	-43.76
CCCC(NC(=O)C1=CC=NC(C2=CC=CN=C2)=N1)C1=NNN=N1	REAL000000006702	1	40	0.0	-11.65	344.47	3.19	-8.46
CCCC(NC(=O)CC1=CN=C2C=CC=CC2=C1)C1=NN=N[N-]1	REAL000000006703	0	40	-1.0	-52.01	340.16	4.67	-47.34
CCCC(NC(=O)CC1=CN=C2C=CC=CC2=C1)C1=N[N-]N=N1	REAL000000006703	1	40	-1.0	-52.01	340.10	4.66	-47.35
CCCC(NC(=O)CC1=CN=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000006703	1	41	0.0	-16.58	343.54	4.67	-11.91
CCCC(NC(=O)C1=CC2=C(C=C(C)S2)N1CC(F)(F)F)C1=NN=N[N-]1	REAL000000006704	0	42	-1.0	-45.06	377.77	6.36	-38.70
CCCC(NC(=O)C1=CC2=C(C=C(C)S2)N1CC(F)(F)F)C1=N[N-]N=N1	REAL000000006704	1	42	-1.0	-45.06	377.72	6.35	-38.71
CCCC(NC(=O)C1=CC2=C(C=C(C)S2)N1CC(F)(F)F)C1=NNN=N1	REAL000000006704	1	43	0.0	-8.65	374.04	5.98	-2.67
CCCC(NC(=O)C(F)(F)C1(OC)CCOCC1)C1=NN=N[N-]1	REAL000000006705	0	43	-1.0	-41.90	339.92	2.30	-39.60
CCCC(NC(=O)C(F)(F)C1(OC)CCOCC1)C1=N[N-]N=N1	REAL000000006705	1	43	-1.0	-41.90	339.86	2.30	-39.60
CCCC(NC(=O)C(F)(F)C1(OC)CCOCC1)C1=NNN=N1	REAL000000006705	1	44	0.0	-8.64	343.34	2.33	-6.32
CCCC(NC(=O)CN1N=NC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL000000006706	0	42	-1.0	-51.31	353.03	1.97	-49.35
CCCC(NC(=O)CN1N=NC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL000000006706	1	42	-1.0	-51.31	352.97	1.97	-49.34
CCCC(NC(=O)CN1N=NC(C(C)(C)C)=N1)C1=NNN=N1	REAL000000006706	1	43	0.0	-17.59	356.41	1.98	-15.62
CCCC(NC(=O)C1=CC2=C(C=CS2)N1CC1CC1)C1=NN=N[N-]1	REAL000000006707	0	43	-1.0	-44.85	368.24	6.71	-38.14
CCCC(NC(=O)C1=CC2=C(C=CS2)N1CC1CC1)C1=N[N-]N=N1	REAL000000006707	1	43	-1.0	-44.85	368.19	6.70	-38.15
CCCC(NC(=O)C1=CC2=C(C=CS2)N1CC1CC1)C1=NNN=N1	REAL000000006707	1	44	0.0	-9.77	372.30	6.72	-3.05
CCCC(NC(=O)C1=CC=C(C2=CC=CC(Cl)=C2)C=C1)C1=NN=N[N-]1	REAL000000006708	0	42	-1.0	-47.87	365.18	7.59	-40.28
CCCC(NC(=O)C1=CC=C(C2=CC=CC(Cl)=C2)C=C1)C1=N[N-]N=N1	REAL000000006708	1	42	-1.0	-47.87	365.12	7.59	-40.27
CCCC(NC(=O)C1=CC=C(C2=CC=CC(Cl)=C2)C=C1)C1=NNN=N1	REAL000000006708	1	43	0.0	-12.68	368.55	7.60	-5.08
CCCC(NC(=O)C1=NN(C2CC2(F)F)C=C1)C1=NN=N[N-]1	REAL000000006709	0	36	-1.0	-52.72	322.82	3.18	-49.54
CCCC(NC(=O)C1=NN(C2CC2(F)F)C=C1)C1=N[N-]N=N1	REAL000000006709	1	36	-1.0	-52.72	322.76	3.18	-49.55
CCCC(NC(=O)C1=NN(C2CC2(F)F)C=C1)C1=NNN=N1	REAL000000006709	1	37	0.0	-13.88	319.01	2.86	-11.02
CCCC(NC(=O)C1=CC=C(C(C)(C)C(=O)OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000006710	0	56	-1.0	-49.80	439.07	8.03	-41.77
CCCC(NC(=O)C1=CC=C(C(C)(C)C(=O)OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000006710	1	56	-1.0	-49.79	439.01	8.03	-41.76
CCCC(NC(=O)C1=CC=C(C(C)(C)C(=O)OC(C)(C)C)C=C1)C1=NNN=N1	REAL000000006710	1	57	0.0	-12.87	442.15	8.02	-4.85
CCCC(NC(=O)C1=CC2=C(C=C(Br)S2)N1)C1=NN=N[N-]1	REAL000000006711	0	33	-1.0	-43.26	319.88	3.37	-39.89
CCCC(NC(=O)C1=CC2=C(C=C(Br)S2)N1)C1=N[N-]N=N1	REAL000000006711	1	33	-1.0	-43.26	319.82	3.36	-39.90
CCCC(NC(=O)C1=CC2=C(C=C(Br)S2)N1)C1=NNN=N1	REAL000000006711	1	34	0.0	-10.42	323.26	3.38	-7.04
CCCC(NC(=O)C1C2CC1(C1=CC=C(F)C=C1)CC2)C1=NN=N[N-]1	REAL000000006712	0	46	-1.0	-46.63	365.57	7.09	-39.54
CCCC(NC(=O)C1C2CC1(C1=CC=C(F)C=C1)CC2)C1=N[N-]N=N1	REAL000000006712	1	46	-1.0	-46.63	365.51	7.08	-39.55
CCCC(NC(=O)C1C2CC1(C1=CC=C(F)C=C1)CC2)C1=NNN=N1	REAL000000006712	1	47	0.0	-7.72	359.86	6.70	-1.02
CCCC(NC(=O)C1=CC=C(CC)C(Br)=C1)C1=NN=N[N-]1	REAL000000006713	0	38	-1.0	-44.18	333.31	5.52	-38.65
CCCC(NC(=O)C1=CC=C(CC)C(Br)=C1)C1=N[N-]N=N1	REAL000000006713	1	38	-1.0	-44.18	333.25	5.53	-38.65
CCCC(NC(=O)C1=CC=C(CC)C(Br)=C1)C1=NNN=N1	REAL000000006713	1	39	0.0	-9.07	337.77	5.57	-3.50
CCCC(NC(=O)CC1CC2(CCC2)CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006714	0	59	-1.0	-45.27	453.27	6.26	-39.02
CCCC(NC(=O)CC1CC2(CCC2)CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006714	1	59	-1.0	-45.27	453.21	6.25	-39.03
CCCC(NC(=O)CC1CC2(CCC2)CN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006714	1	60	0.0	-9.45	449.47	5.93	-3.51
CCCC1=C(Br)C=C(C(=O)NC(CCC)C2=NN=N[N-]2)S1	REAL000000006715	0	38	-1.0	-44.09	350.62	5.56	-38.54
CCCC1=C(Br)C=C(C(=O)NC(CCC)C2=N[N-]N=N2)S1	REAL000000006715	1	38	-1.0	-44.10	350.56	5.56	-38.54
CCCC1=C(Br)C=C(C(=O)NC(CCC)C2=NNN=N2)S1	REAL000000006715	1	39	0.0	-9.67	354.00	5.57	-4.11
CCCC(NC(=O)C1=CC=C(SC)C(Br)=C1)C1=NN=N[N-]1	REAL000000006716	0	36	-1.0	-44.32	333.64	5.22	-39.10
CCCC(NC(=O)C1=CC=C(SC)C(Br)=C1)C1=N[N-]N=N1	REAL000000006716	1	36	-1.0	-44.32	333.58	5.21	-39.12
CCCC(NC(=O)C1=CC=C(SC)C(Br)=C1)C1=NNN=N1	REAL000000006716	1	37	0.0	-12.87	337.02	5.23	-7.64
CCCC(NC(=O)C1=CC2=C(N1)C(Br)=CS2)C1=NN=N[N-]1	REAL000000006717	0	33	-1.0	-43.92	319.66	3.26	-40.66
CCCC(NC(=O)C1=CC2=C(N1)C(Br)=CS2)C1=N[N-]N=N1	REAL000000006717	1	33	-1.0	-43.91	319.61	3.25	-40.66
CCCC(NC(=O)C1=CC2=C(N1)C(Br)=CS2)C1=NNN=N1	REAL000000006717	1	34	0.0	-9.89	323.04	3.26	-6.63
CCCC(NC(=O)C1=CC(=O)NC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000006718	0	42	-1.0	-50.66	353.79	4.13	-46.53
CCCC(NC(=O)C1=CC(=O)NC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000006718	1	42	-1.0	-50.67	353.73	4.12	-46.54
CCCC(NC(=O)C1=CC(=O)NC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000006718	1	43	0.0	-17.92	357.17	4.14	-13.78
CCCC(NC(=O)C1=COC2=CC(F)=CC(F)=C12)C1=NN=N[N-]1	REAL000000006719	0	35	-1.0	-51.16	312.85	4.12	-47.04
CCCC(NC(=O)C1=COC2=CC(F)=CC(F)=C12)C1=N[N-]N=N1	REAL000000006719	1	35	-1.0	-51.16	312.79	4.11	-47.05
CCCC(NC(=O)C1=COC2=CC(F)=CC(F)=C12)C1=NNN=N1	REAL000000006719	1	36	0.0	-11.70	309.03	3.80	-7.89
CCCC(NC(=O)C1=CN=C(OC2=CN(CC)N=C2)C=N1)C1=NN=N[N-]1	REAL000000006720	0	44	-1.0	-48.67	376.59	1.64	-47.04
CCCC(NC(=O)C1=CN=C(OC2=CN(CC)N=C2)C=N1)C1=N[N-]N=N1	REAL000000006720	1	44	-1.0	-48.68	376.53	1.64	-47.04
CCCC(NC(=O)C1=CN=C(OC2=CN(CC)N=C2)C=N1)C1=NNN=N1	REAL000000006720	1	45	0.0	-11.59	372.81	1.31	-10.28
CCCC(NC(=O)C1=CN2N=CC(C#N)=C2N=C1)C1=NN=N[N-]1	REAL000000006721	0	35	-1.0	-45.21	317.91	3.03	-42.18
CCCC(NC(=O)C1=CN2N=CC(C#N)=C2N=C1)C1=N[N-]N=N1	REAL000000006721	1	35	-1.0	-45.20	317.86	3.03	-42.17
CCCC(NC(=O)C1=CN2N=CC(C#N)=C2N=C1)C1=NNN=N1	REAL000000006721	1	36	0.0	-13.22	314.17	2.71	-10.51
CCCC(NC(=O)C1=NC=C(OCC2CC2)C=C1F)C1=NN=N[N-]1	REAL000000006722	0	42	-1.0	-48.31	359.16	3.81	-44.49
CCCC(NC(=O)C1=NC=C(OCC2CC2)C=C1F)C1=N[N-]N=N1	REAL000000006722	1	42	-1.0	-48.31	359.10	3.81	-44.49
CCCC(NC(=O)C1=NC=C(OCC2CC2)C=C1F)C1=NNN=N1	REAL000000006722	1	43	0.0	-11.82	362.54	3.82	-8.00
CCCC(NC(=O)C1=CC2=C(S1)N(C)N=C2)C1=NN=N[N-]1	REAL000000006723	0	35	-1.0	-46.26	316.05	2.75	-43.51
CCCC(NC(=O)C1=CN(C2=CC=CC=C2OC)C=N1)C1=NN=N[N-]1	REAL000000006724	0	43	-1.0	-51.09	367.06	5.44	-45.65
CCCC(NC(=O)C1=CN(C2=CC=CC=C2OC)C=N1)C1=N[N-]N=N1	REAL000000006724	1	43	-1.0	-51.09	367.00	5.43	-45.66
CCCC(NC(=O)C1=CN(C2=CC=CC=C2OC)C=N1)C1=NNN=N1	REAL000000006724	1	44	0.0	-12.91	370.43	5.45	-7.46
CCCC(NC(=O)C1=CN=C(C2CCOCC2)N=C1)C1=NN=N[N-]1	REAL000000006725	0	44	-1.0	-43.89	359.99	2.38	-41.51
CCCC(NC(=O)C1=CN=C(C2CCOCC2)N=C1)C1=N[N-]N=N1	REAL000000006725	1	44	-1.0	-43.89	359.94	2.37	-41.52
CCCC(NC(=O)C1=CN=C(C2CCOCC2)N=C1)C1=NNN=N1	REAL000000006725	1	45	0.0	-11.52	363.37	2.39	-9.13
CCCC(NC(=O)C1=CC(C)=C(C)C(Br)=C1)C1=NN=N[N-]1	REAL000000006726	0	38	-1.0	-44.81	330.76	5.38	-39.43
CCCC(NC(=O)C1=CC(C)=C(C)C(Br)=C1)C1=N[N-]N=N1	REAL000000006726	1	38	-1.0	-44.81	330.70	5.37	-39.44
CCCC(NC(=O)C1=CC(C)=C(C)C(Br)=C1)C1=NNN=N1	REAL000000006726	1	39	0.0	-9.37	334.14	5.39	-3.98
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(CC(C)C)=C1)C1=NN=N[N-]1	REAL000000006727	0	51	-1.0	-50.86	415.03	7.14	-43.72
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(CC(C)C)=C1)C1=N[N-]N=N1	REAL000000006727	1	51	-1.0	-50.86	414.97	7.14	-43.72
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(CC(C)C)=C1)C1=NNN=N1	REAL000000006727	1	52	0.0	-11.95	418.47	7.15	-4.80
CCCC(NC(=O)C1=CC=C(N2CCC(C)CC2)C=C1)C1=NN=N[N-]1	REAL000000006728	0	50	-1.0	-46.28	387.90	5.55	-40.73
CCCC(NC(=O)C1=CC=C(N2CCC(C)CC2)C=C1)C1=N[N-]N=N1	REAL000000006728	1	50	-1.0	-46.29	387.85	5.55	-40.74
CCCC(NC(=O)C1=CC=C(N2CCC(C)CC2)C=C1)C1=NNN=N1	REAL000000006728	1	51	0.0	-7.40	384.11	5.23	-2.17
CCCC(NC(=O)C1CC([NH+](C)C)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000006729	0	61	0.0	-75.66	451.72	6.11	-69.55
CCCC(NC(=O)C1CC([NH+](C)C)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000006729	1	61	0.0	-75.64	451.66	6.11	-69.53
CCCC(NC(=O)C1CC([NH+](C)C)CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006729	1	62	1.0	-41.40	452.89	5.21	-36.19
CCCC(NC(=O)C1=CC2=CC=C(O)C=C2N1)C1=NN=N[N-]1	REAL000000006730	0	37	-1.0	-46.43	319.12	0.73	-45.70
CCCC(NC(=O)C1=CC2=CC=C(O)C=C2N1)C1=N[N-]N=N1	REAL000000006730	1	37	-1.0	-46.43	319.07	0.72	-45.71
CCCC(NC(=O)C1=CC2=CC=C(O)C=C2N1)C1=NNN=N1	REAL000000006730	1	38	0.0	-12.32	322.50	0.73	-11.58
CCCC(NC(=O)C1=C[N-]N2C1=NC(C)=CC2=O)C1=NN=N[N-]1	REAL000000006731	0	37	-2.0	-93.56	325.93	2.05	-91.51
CCCC(NC(=O)C1=C[N-]N2C1=NC(C)=CC2=O)C1=N[N-]N=N1	REAL000000006731	1	37	-2.0	-93.56	325.87	2.05	-91.51
CCCC(NC(=O)C1=C[N-]N2C1=NC(C)=CC2=O)C1=NNN=N1	REAL000000006731	1	38	-1.0	-42.60	329.28	2.05	-40.55
CCCC(NC(=O)C1=CC=CC(S(C)(=N)=O)=C1)C1=NN=N[N-]1	REAL000000006732	0	39	-1.0	-57.66	340.42	0.47	-57.19
CCCC(NC(=O)C1=CC=CC(S(C)(=N)=O)=C1)C1=N[N-]N=N1	REAL000000006732	1	39	-1.0	-57.66	340.36	0.47	-57.19
CCCC(NC(=O)C1=CC=CC(S(C)(=N)=O)=C1)C1=NNN=N1	REAL000000006732	1	40	0.0	-19.46	336.61	0.15	-19.31
CCCC(NC(=O)C(C)C1=CC=C(OC)C(F)=C1)C1=NN=N[N-]1	REAL000000006733	0	42	-1.0	-48.65	350.62	4.26	-44.39
CCCC(NC(=O)C(C)C1=CC=C(OC)C(F)=C1)C1=N[N-]N=N1	REAL000000006733	1	42	-1.0	-48.65	350.57	4.25	-44.40
CCCC(NC(=O)C(C)C1=CC=C(OC)C(F)=C1)C1=NNN=N1	REAL000000006733	1	43	0.0	-15.21	353.96	4.27	-10.93
CCCC(NC(=O)C(OC)C1CC(F)(F)C1)C1=NN=N[N-]1	REAL000000006734	0	39	-1.0	-47.14	324.85	3.53	-43.61
CCCC(NC(=O)C(OC)C1CC(F)(F)C1)C1=N[N-]N=N1	REAL000000006734	1	39	-1.0	-47.14	324.79	3.52	-43.62
CCCC(NC(=O)C(OC)C1CC(F)(F)C1)C1=NNN=N1	REAL000000006734	1	40	0.0	-14.79	328.35	3.54	-11.25
CCCC(NC(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C1=NN=N[N-]1	REAL000000006735	0	42	-1.0	-44.90	370.49	4.41	-40.49
CCCC(NC(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C1=N[N-]N=N1	REAL000000006735	1	42	-1.0	-44.89	370.43	4.40	-40.49
CCCC(NC(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C1=NNN=N1	REAL000000006735	1	43	0.0	-11.53	373.86	4.42	-7.10
CCCC(NC(=O)C1=COC(C2=CC=C(F)C=C2)=N1)C1=NN=N[N-]1	REAL000000006736	0	38	-1.0	-44.37	340.95	2.17	-42.20
CCCC(NC(=O)C1=COC(C2=CC=C(F)C=C2)=N1)C1=N[N-]N=N1	REAL000000006736	1	38	-1.0	-44.37	340.90	2.16	-42.21
CCCC(NC(=O)C1=COC(C2=CC=C(F)C=C2)=N1)C1=NNN=N1	REAL000000006736	1	39	0.0	-8.19	337.14	1.85	-6.35
CCCC(NC(=O)COCC1=NC(C2CC2)=NO1)C1=NN=N[N-]1	REAL000000006737	0	41	-1.0	-55.12	356.42	1.82	-53.30
CCCC(NC(=O)COCC1=NC(C2CC2)=NO1)C1=N[N-]N=N1	REAL000000006737	1	41	-1.0	-55.11	356.36	1.82	-53.29
CCCC(NC(=O)COCC1=NC(C2CC2)=NO1)C1=NNN=N1	REAL000000006737	1	42	0.0	-19.87	359.79	1.82	-18.04
CCCC(NC(=O)CC1=CC=C2C(=C1)CCN2C)C1=NN=N[N-]1	REAL000000006738	0	44	-1.0	-48.45	359.75	4.16	-44.29
CCCC(NC(=O)CC1=CC=C2C(=C1)CCN2C)C1=N[N-]N=N1	REAL000000006738	1	44	-1.0	-48.45	359.69	4.16	-44.29
CCCC(NC(=O)CC1=CC=C2C(=C1)CCN2C)C1=NNN=N1	REAL000000006738	1	45	0.0	-13.12	363.12	4.17	-8.95
CCCC(NC(=O)CN1C=NC(Br)=C1)C1=NN=N[N-]1	REAL000000006739	0	32	-1.0	-49.69	301.53	3.88	-45.81
CCCC(NC(=O)CN1C=NC(Br)=C1)C1=N[N-]N=N1	REAL000000006739	1	32	-1.0	-49.68	301.48	3.88	-45.81
CCCC(NC(=O)CN1C=NC(Br)=C1)C1=NNN=N1	REAL000000006739	1	33	0.0	-15.13	297.74	3.56	-11.57
CCCC(NC(=O)C1=CC=C2C(=O)NCC2=C1)C1=NN=N[N-]1	REAL000000006740	0	37	-1.0	-47.91	316.60	1.14	-46.77
CCCC(NC(=O)C1=CC=C2C(=O)NCC2=C1)C1=N[N-]N=N1	REAL000000006740	1	37	-1.0	-47.91	316.54	1.14	-46.77
CCCC(NC(=O)C1=CC=C2C(=O)NCC2=C1)C1=NNN=N1	REAL000000006740	1	38	0.0	-12.92	312.79	0.83	-12.09
CCCC(NC(=O)C1=CC=C(NS(=O)(=O)CC)C=C1)C1=NN=N[N-]1	REAL000000006741	0	43	-1.0	-49.42	369.22	1.26	-48.17
CCCC(NC(=O)C1=CC=C(NS(=O)(=O)CC)C=C1)C1=N[N-]N=N1	REAL000000006741	1	43	-1.0	-49.42	369.16	1.26	-48.16
CCCC(NC(=O)C1=CC=C(NS(=O)(=O)CC)C=C1)C1=NNN=N1	REAL000000006741	1	44	0.0	-15.73	372.60	1.27	-14.46
CCCC(NC(=O)C1=CC2=C(Br)C=CC=C2S1)C1=NN=N[N-]1	REAL000000006742	0	35	-1.0	-47.54	333.50	5.63	-41.91
CCCC(NC(=O)C1=CC2=C(Br)C=CC=C2S1)C1=N[N-]N=N1	REAL000000006742	1	35	-1.0	-47.54	333.44	5.62	-41.93
CCCC(NC(=O)C1=CC2=C(Br)C=CC=C2S1)C1=NNN=N1	REAL000000006742	1	36	0.0	-11.41	336.88	5.63	-5.78
CCCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C1=NN=N[N-]1	REAL000000006743	0	61	-1.0	-52.07	456.07	5.69	-46.39
CCCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C1=N[N-]N=N1	REAL000000006743	1	61	-1.0	-52.08	456.03	5.68	-46.40
CCCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C1=NNN=N1	REAL000000006743	1	62	0.0	-15.44	459.46	5.69	-9.75
CCCC(NC(=O)C1CC(C)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000006744	0	55	-1.0	-45.15	419.31	5.45	-39.70
CCCC(NC(=O)C1CC(C)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000006744	1	55	-1.0	-45.14	419.25	5.44	-39.70
CCCC(NC(=O)C1CC(C)CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006744	1	56	0.0	-11.30	427.38	5.16	-6.14
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Br)N=C1)C1=NN=N[N-]1	REAL000000006745	0	38	-1.0	-45.73	343.24	4.38	-41.35
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Br)N=C1)C1=N[N-]N=N1	REAL000000006745	1	38	-1.0	-45.73	343.18	4.37	-41.36
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Br)N=C1)C1=NNN=N1	REAL000000006745	1	39	0.0	-11.52	346.61	4.38	-7.14
CCCC(NC(=O)C1=CN(CCN2CCOCC2)N=N1)C1=NN=N[N-]1	REAL000000006746	0	47	-1.0	-46.55	385.33	-0.69	-47.25
CCCC(NC(=O)C1=CN(CCN2CCOCC2)N=N1)C1=N[N-]N=N1	REAL000000006746	1	47	-1.0	-46.55	385.28	-0.69	-47.24
CCCC(NC(=O)C1=CN(CCN2CCOCC2)N=N1)C1=NNN=N1	REAL000000006746	1	48	0.0	-12.59	388.71	-0.68	-13.27
CCCC(NC(=O)C1=CC=C(C(F)(F)F)N=C1F)C1=NN=N[N-]1	REAL000000006747	0	34	-1.0	-48.79	314.39	2.95	-45.85
CCCC(NC(=O)C1=CC=C(C(F)(F)F)N=C1F)C1=N[N-]N=N1	REAL000000006747	1	34	-1.0	-48.79	314.33	2.94	-45.85
CCCC(NC(=O)C1=CC=C(C(F)(F)F)N=C1F)C1=NNN=N1	REAL000000006747	1	35	0.0	-12.73	310.59	2.62	-10.11
CCCC(NC(=O)C1=C2C(=NN1)N=CNC2=O)C1=NN=N[N-]1	REAL000000006748	0	34	-1.0	-57.48	298.89	1.43	-56.05
CCCC(NC(=O)C1=C2C(=NN1)N=CNC2=O)C1=N[N-]N=N1	REAL000000006748	1	34	-1.0	-57.48	298.84	1.43	-56.05
CCCC(NC(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000006749	0	58	-1.0	-49.51	440.03	4.93	-44.58
CCCC(NC(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000006749	1	58	-1.0	-49.51	439.97	4.93	-44.59
CCCC(NC(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000006749	1	59	0.0	-15.04	443.40	4.95	-10.09
CCCC(NC(=O)C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006750	0	56	-1.0	-50.82	437.59	5.81	-45.01
CCCC(NC(=O)C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006750	1	56	-1.0	-50.81	437.53	5.80	-45.02
CCCC(NC(=O)C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006750	1	57	0.0	-9.12	435.39	5.58	-3.54
CCCC(NC(=O)C1=C2CN(C(=O)OC(C)(C)C)CCN2C=C1)C1=NN=N[N-]1	REAL000000006751	0	54	-1.0	-56.76	426.82	5.56	-51.21
CCCC(NC(=O)C1=C2CN(C(=O)OC(C)(C)C)CCN2C=C1)C1=N[N-]N=N1	REAL000000006751	1	54	-1.0	-56.76	426.76	5.55	-51.22
CCCC(NC(=O)C1=C2CN(C(=O)OC(C)(C)C)CCN2C=C1)C1=NNN=N1	REAL000000006751	1	55	0.0	-14.54	423.03	5.23	-9.30
CCCC(NC(=O)C1=COC2=C1C(O)CCC2)C1=NN=N[N-]1	REAL000000006752	0	40	-1.0	-53.15	327.64	2.33	-50.82
CCCC(NC(=O)C1=COC2=C1C(O)CCC2)C1=N[N-]N=N1	REAL000000006752	1	40	-1.0	-53.15	327.58	2.32	-50.82
CCCC(NC(=O)C1=COC2=C1C(O)CCC2)C1=NNN=N1	REAL000000006752	1	41	0.0	-15.44	331.01	2.35	-13.10
CCCC(NC(=O)C1=CN=C(NC(=O)OC(C)(C)C)N=C1C)C1=NN=N[N-]1	REAL000000006753	0	50	-1.0	-44.90	403.97	4.61	-40.29
CCCC(NC(=O)C1=CN=C(NC(=O)OC(C)(C)C)N=C1C)C1=N[N-]N=N1	REAL000000006753	1	50	-1.0	-44.89	403.92	4.61	-40.28
CCCC(NC(=O)C1=CN=C(NC(=O)OC(C)(C)C)N=C1C)C1=NNN=N1	REAL000000006753	1	51	0.0	-12.35	407.35	4.62	-7.74
CCCC(NC(=O)C1=CC(C2=CC=CN=C2)=NO1)C1=NN=N[N-]1	REAL000000006754	0	37	-1.0	-43.06	328.03	2.85	-40.20
CCCC(NC(=O)C1=CC(C2=CC=CN=C2)=NO1)C1=N[N-]N=N1	REAL000000006754	1	37	-1.0	-43.05	327.97	2.85	-40.21
CCCC(NC(=O)C1=CC(C2=CC=CN=C2)=NO1)C1=NNN=N1	REAL000000006754	1	38	0.0	-10.72	331.41	2.86	-7.86
CCCC(NC(=O)C(O)C1=CC(F)=CC(F)=C1)C1=NN=N[N-]1	REAL000000006755	0	36	-1.0	-43.34	319.90	2.49	-40.85
CCCC(NC(=O)C(O)C1=CC(F)=CC(F)=C1)C1=N[N-]N=N1	REAL000000006755	1	36	-1.0	-43.33	319.84	2.49	-40.84
CCCC(NC(=O)C(O)C1=CC(F)=CC(F)=C1)C1=NNN=N1	REAL000000006755	1	37	0.0	-11.01	323.28	2.50	-8.51
CCCC(NC(=O)CC1=CC=C(C#N)C=C1F)C1=NN=N[N-]1	REAL000000006756	0	36	-1.0	-45.10	325.25	4.75	-40.35
CCCC(NC(=O)CC1=CC=C(C#N)C=C1F)C1=N[N-]N=N1	REAL000000006756	1	36	-1.0	-45.09	325.19	4.75	-40.34
CCCC(NC(=O)CC1=CC=C(C#N)C=C1F)C1=NNN=N1	REAL000000006756	1	37	0.0	-13.79	328.66	4.76	-9.03
CCCC(NC(=O)C1=CC=C(Br)N=C1C(F)(F)F)C1=NN=N[N-]1	REAL000000006757	0	34	-1.0	-49.06	322.51	3.51	-45.55
CCCC(NC(=O)C1=CC=C(Br)N=C1C(F)(F)F)C1=N[N-]N=N1	REAL000000006757	1	34	-1.0	-49.04	322.45	3.50	-45.55
CCCC(NC(=O)C1=CC=C(Br)N=C1C(F)(F)F)C1=NNN=N1	REAL000000006757	1	35	0.0	-15.70	325.88	3.52	-12.18
CCCC(NC(=O)CC(C1=CC=CC=C1)C(F)F)C1=NN=N[N-]1	REAL000000006758	0	41	-1.0	-44.13	343.39	5.64	-38.49
CCCC(NC(=O)CC(C1=CC=CC=C1)C(F)F)C1=N[N-]N=N1	REAL000000006758	1	41	-1.0	-44.13	343.34	5.64	-38.48
CCCC(NC(=O)CC(C1=CC=CC=C1)C(F)F)C1=NNN=N1	REAL000000006758	1	42	0.0	-10.15	346.07	5.70	-4.45
CCCC(NC(=O)C1=CC=C2CCOCC2=C1)C1=NN=N[N-]1	REAL000000006759	0	40	-1.0	-48.06	328.08	3.75	-44.31
CCCC(NC(=O)C1=CC=C2CCOCC2=C1)C1=N[N-]N=N1	REAL000000006759	1	40	-1.0	-48.06	328.02	3.74	-44.32
CCCC(NC(=O)C1=CC=C2CCOCC2=C1)C1=NNN=N1	REAL000000006759	1	41	0.0	-12.08	331.45	3.75	-8.33
CCCC(NC(=O)C1=CC(C)=C(Cl)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000006760	0	37	-1.0	-42.05	333.66	5.29	-36.77
CCCC(NC(=O)C1=CC(C)=C(Cl)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000006760	1	37	-1.0	-42.04	333.60	5.29	-36.76
CCCC(NC(=O)C1=CC(C)=C(Cl)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000006760	1	38	0.0	-10.76	337.04	5.29	-5.47
CCCC(NC(=O)C1=CC(C)=NC2=C1C(=O)CCC2)C1=NN=N[N-]1	REAL000000006761	0	43	-1.0	-60.04	354.45	5.34	-54.70
CCCC(NC(=O)C1=CC(C)=NC2=C1C(=O)CCC2)C1=N[N-]N=N1	REAL000000006761	1	43	-1.0	-60.04	354.39	5.33	-54.70
CCCC(NC(=O)C1=CC(C)=NC2=C1C(=O)CCC2)C1=NNN=N1	REAL000000006761	1	44	0.0	-15.47	357.87	5.34	-10.13
CCCC(NC(=O)C(F)(F)C1=CSC(N)=N1)C1=NN=N[N-]1	REAL000000006762	0	33	-1.0	-46.66	307.78	1.02	-45.63
CCCC(NC(=O)C(F)(F)C1=CSC(N)=N1)C1=N[N-]N=N1	REAL000000006762	1	33	-1.0	-46.66	307.72	1.01	-45.64
CCCC(NC(=O)C(F)(F)C1=CSC(N)=N1)C1=NNN=N1	REAL000000006762	1	34	0.0	-11.38	311.15	1.03	-10.35
CCCC(NC(=O)C(CC1=CC=CN=C1)NC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000006763	0	51	-1.0	-45.77	420.00	4.57	-41.20
CCCC(NC(=O)C(CC1=CC=CN=C1)NC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000006763	1	51	-1.0	-45.77	419.95	4.56	-41.21
CCCC(NC(=O)C(CC1=CC=CN=C1)NC(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000006763	1	52	0.0	-13.87	423.44	4.69	-9.18
CCCC(NC(=O)C1=CSC(COCC)=N1)C1=NN=N[N-]1	REAL000000006764	0	38	-1.0	-47.22	339.06	1.38	-45.84
CCCC(NC(=O)C1=CSC(COCC)=N1)C1=N[N-]N=N1	REAL000000006764	1	38	-1.0	-47.23	339.00	1.37	-45.85
CCCC(NC(=O)C1=CSC(COCC)=N1)C1=NNN=N1	REAL000000006764	1	39	0.0	-11.25	342.44	1.39	-9.86
CCCC(NC(=O)C1=C(C)N(C2CCOC2)N=N1)C1=NN=N[N-]1	REAL000000006765	0	42	-1.0	-48.40	347.53	0.79	-47.61
CCCC(NC(=O)C1=C(C)N(C2CCOC2)N=N1)C1=N[N-]N=N1	REAL000000006765	1	42	-1.0	-48.40	347.48	0.78	-47.62
CCCC(NC(=O)C1=C(C)N(C2CCOC2)N=N1)C1=NNN=N1	REAL000000006765	1	43	0.0	-13.76	350.92	0.80	-12.96
CCCC(NC(=O)C1CCC2=NN=C(C3=CC=C(F)C=C3)N2C1)C1=NN=N[N-]1	REAL000000006766	0	48	-1.0	-46.28	394.01	7.02	-39.25
CCCC(NC(=O)C1CCC2=NN=C(C3=CC=C(F)C=C3)N2C1)C1=N[N-]N=N1	REAL000000006766	1	48	-1.0	-46.27	393.96	7.02	-39.25
CCCC(NC(=O)C1CCC2=NN=C(C3=CC=C(F)C=C3)N2C1)C1=NNN=N1	REAL000000006766	1	49	0.0	-17.11	397.57	7.03	-10.08
CCCC(NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=C(C(F)(F)F)C=C1)CC2)C1=NN=N[N-]1	REAL000000006767	0	49	-1.0	-47.37	398.96	8.13	-39.24
CCCC(NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=C(C(F)(F)F)C=C1)CC2)C1=N[N-]N=N1	REAL000000006767	1	49	-1.0	-47.36	398.89	8.13	-39.23
CCCC(NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=C(C(F)(F)F)C=C1)CC2)C1=NNN=N1	REAL000000006767	1	50	0.0	-9.64	402.30	8.15	-1.49
CCCC(NC(=O)C1=CC=C(C(C)=O)C(F)=C1)C1=NN=N[N-]1	REAL000000006768	0	37	-1.0	-47.65	319.41	4.13	-43.52
CCCC(NC(=O)C1=CC=C(C(C)=O)C(F)=C1)C1=N[N-]N=N1	REAL000000006768	1	37	-1.0	-47.65	319.35	4.12	-43.53
CCCC(NC(=O)C1=CC=C(C(C)=O)C(F)=C1)C1=NNN=N1	REAL000000006768	1	38	0.0	-13.21	317.81	3.90	-9.31
CCCC(NC(=O)[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)OC)C1)C1=NN=N[N-]1	REAL000000006769	0	55	-1.0	-47.60	443.02	2.96	-44.64
CCCC(NC(=O)[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)OC)C1)C1=N[N-]N=N1	REAL000000006769	1	55	-1.0	-47.60	442.97	2.96	-44.64
CCCC(NC(=O)[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)OC)C1)C1=NNN=N1	REAL000000006769	1	56	0.0	-16.64	442.20	4.02	-12.62
CCCC(NC(=O)C1=CC2=C(Br)C=C(Cl)C=C2N1)C1=NN=N[N-]1	REAL000000006770	0	36	-1.0	-43.47	345.82	4.69	-38.78
CCCC(NC(=O)C1=CC2=C(Br)C=C(Cl)C=C2N1)C1=N[N-]N=N1	REAL000000006770	1	36	-1.0	-43.47	345.76	4.68	-38.79
CCCC(NC(=O)C1=CC2=C(Br)C=C(Cl)C=C2N1)C1=NNN=N1	REAL000000006770	1	37	0.0	-7.74	342.00	4.36	-3.38
CCCC(NC(=O)C1=CC2=C(C)C=C(Cl)C=C2N1)C1=NN=N[N-]1	REAL000000006771	0	39	-1.0	-43.64	345.61	4.73	-38.91
CCCC(NC(=O)C1=CC2=C(C)C=C(Cl)C=C2N1)C1=N[N-]N=N1	REAL000000006771	1	39	-1.0	-43.64	345.55	4.72	-38.92
CCCC(NC(=O)C1=CC2=C(C)C=C(Cl)C=C2N1)C1=NNN=N1	REAL000000006771	1	40	0.0	-10.32	348.96	4.74	-5.58
CCCC(NC(=O)CC1=CC=C(OCCCC#N)C=C1)C1=NN=N[N-]1	REAL000000006772	0	46	-1.0	-54.13	392.70	5.88	-48.25
CCCC(NC(=O)CC1=CC=C(OCCCC#N)C=C1)C1=N[N-]N=N1	REAL000000006772	1	46	-1.0	-54.13	392.65	5.88	-48.25
CCCC(NC(=O)CC1=CC=C(OCCCC#N)C=C1)C1=NNN=N1	REAL000000006772	1	47	0.0	-18.88	396.08	5.89	-12.99
CCCC(NC(=O)C1=CC=CC(NC(=O)C2=NN(C)C=C2)=C1)C1=NN=N[N-]1	REAL000000006773	0	46	-1.0	-64.53	392.03	3.46	-61.07
CCCC(NC(=O)C1=CC=CC(NC(=O)C2=NN(C)C=C2)=C1)C1=N[N-]N=N1	REAL000000006773	1	46	-1.0	-64.53	391.98	3.47	-61.07
CCCC(NC(=O)C1=CC=CC(NC(=O)C2=NN(C)C=C2)=C1)C1=NNN=N1	REAL000000006773	1	47	0.0	-19.56	387.93	3.16	-16.39
CCCC(NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)C1=NN=N[N-]1	REAL000000006774	0	55	-1.0	-52.60	408.85	5.57	-47.03
CCCC(NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)C1=N[N-]N=N1	REAL000000006774	1	55	-1.0	-52.61	408.79	5.57	-47.04
CCCC(NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)C1=NNN=N1	REAL000000006774	1	56	0.0	-11.26	420.76	5.00	-6.26
CCCC(NC(=O)CC1(NC(=O)OC(C)(C)C)CCSC1)C1=NN=N[N-]1	REAL000000006775	0	53	-1.0	-40.23	417.05	4.08	-36.15
CCCC(NC(=O)CC1(NC(=O)OC(C)(C)C)CCSC1)C1=N[N-]N=N1	REAL000000006775	1	53	-1.0	-40.23	416.99	4.08	-36.15
CCCC(NC(=O)CC1(NC(=O)OC(C)(C)C)CCSC1)C1=NNN=N1	REAL000000006775	1	54	0.0	-9.12	420.44	4.09	-5.03
CCCC(NC(=O)[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000006776	0	55	-1.0	-44.72	424.03	5.15	-39.57
CCCC(NC(=O)[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000006776	1	55	-1.0	-44.72	423.97	5.14	-39.58
CCCC(NC(=O)[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006776	1	56	0.0	-11.67	427.38	5.16	-6.51
CCCC(NC(=O)CSCCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006777	0	49	-1.0	-51.56	410.01	2.46	-49.11
CCCC(NC(=O)CSCCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006777	1	49	-1.0	-51.56	409.95	2.46	-49.10
CCCC(NC(=O)CSCCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006777	1	50	0.0	-14.01	406.22	2.14	-11.87
CCCC(NC(=O)C(O)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL000000006778	0	36	-1.0	-49.00	319.28	2.51	-46.49
CCCC(NC(=O)C(O)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL000000006778	1	36	-1.0	-49.00	319.22	2.51	-46.48
CCCC(NC(=O)C(O)C1=CC=C(F)C(F)=C1)C1=NNN=N1	REAL000000006778	1	37	0.0	-15.59	322.68	2.52	-13.07
CCCC(NC(=O)CC1(N2C=NN=N2)CCSCC1)C1=NN=N[N-]1	REAL000000006779	0	44	-1.0	-48.94	352.90	3.79	-45.15
CCCC(NC(=O)CC1(N2C=NN=N2)CCSCC1)C1=N[N-]N=N1	REAL000000006779	1	44	-1.0	-48.93	352.85	3.78	-45.15
CCCC(NC(=O)CC1(N2C=NN=N2)CCSCC1)C1=NNN=N1	REAL000000006779	1	45	0.0	-14.14	351.38	3.61	-10.52
CCCC(NC(=O)C1=CC=C(C(N)=O)C(Cl)=C1)C1=NN=N[N-]1	REAL000000006780	0	36	-1.0	-47.60	321.33	0.96	-46.64
CCCC(NC(=O)C1=CC=C(C(N)=O)C(Cl)=C1)C1=N[N-]N=N1	REAL000000006780	1	36	-1.0	-47.60	321.27	0.96	-46.64
CCCC(NC(=O)C1=CC=C(C(N)=O)C(Cl)=C1)C1=NNN=N1	REAL000000006780	1	37	0.0	-19.31	324.70	0.97	-18.34
CCCC(NC(=O)C=CC1=CN=C2C=CC=CC2=N1)C1=NN=N[N-]1	REAL000000006781	0	40	-1.0	-48.25	347.68	3.51	-44.74
CCCC(NC(=O)C=CC1=CN=C2C=CC=CC2=N1)C1=N[N-]N=N1	REAL000000006781	1	40	-1.0	-48.25	347.63	3.51	-44.74
CCCC(NC(=O)C=CC1=CN=C2C=CC=CC2=N1)C1=NNN=N1	REAL000000006781	1	41	0.0	-13.43	351.06	3.51	-9.92
CCCC(NC(=O)C=CC1=C(OC)N=C2C=CC=CC2=C1)C1=NN=N[N-]1	REAL000000006782	0	45	-1.0	-51.77	381.20	3.80	-47.97
CCCC(NC(=O)C=CC1=C(OC)N=C2C=CC=CC2=C1)C1=N[N-]N=N1	REAL000000006782	1	45	-1.0	-51.76	381.14	3.80	-47.96
CCCC(NC(=O)C=CC1=C(OC)N=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000006782	1	46	0.0	-16.70	384.57	3.81	-12.89
CCCOC1=C(C=CC(=O)NC(CCC)C2=NN=N[N-]2)C=C2C=CC=CC2=N1	REAL000000006783	0	51	-1.0	-51.82	424.55	5.55	-46.27
CCCOC1=C(C=CC(=O)NC(CCC)C2=N[N-]N=N2)C=C2C=CC=CC2=N1	REAL000000006783	1	51	-1.0	-51.82	424.49	5.55	-46.27
CCCOC1=C(C=CC(=O)NC(CCC)C2=NNN=N2)C=C2C=CC=CC2=N1	REAL000000006783	1	52	0.0	-16.48	427.93	5.56	-10.92
CCCC(NC(=O)C=CC1=CN(C)C(=O)N(C)C1=O)C1=NN=N[N-]1	REAL000000006784	0	42	-1.0	-54.40	354.72	3.23	-51.17
CCCC(NC(=O)C=CC1=CN(C)C(=O)N(C)C1=O)C1=N[N-]N=N1	REAL000000006784	1	42	-1.0	-54.40	354.67	3.22	-51.18
CCCC(NC(=O)C=CC1=CN(C)C(=O)N(C)C1=O)C1=NNN=N1	REAL000000006784	1	43	0.0	-16.80	350.86	2.91	-13.89
CCCC(NC(=O)C1=NN=C2C=CC(Br)=CN21)C1=NN=N[N-]1	REAL000000006785	0	34	-1.0	-45.94	318.08	4.52	-41.42
CCCC(NC(=O)C1=NN=C2C=CC(Br)=CN21)C1=N[N-]N=N1	REAL000000006785	1	34	-1.0	-45.93	318.02	4.52	-41.41
CCCC(NC(=O)C1=NN=C2C=CC(Br)=CN21)C1=NNN=N1	REAL000000006785	1	35	0.0	-9.86	314.28	4.20	-5.66
CCCC(NC(=O)C1=CC=NC(OC)=C1Br)C1=NN=N[N-]1	REAL000000006786	0	35	-1.0	-47.49	317.33	1.04	-46.45
CCCC(NC(=O)C1=CC=NC(OC)=C1Br)C1=N[N-]N=N1	REAL000000006786	1	35	-1.0	-47.48	317.28	1.04	-46.45
CCCC(NC(=O)C1=CC=NC(OC)=C1Br)C1=NNN=N1	REAL000000006786	1	36	0.0	-10.44	313.54	0.72	-9.72
CCCC(NC(=O)C=CC1=CC(OC)=NS1)C1=NN=N[N-]1	REAL000000006787	0	36	-1.0	-44.12	328.76	0.86	-43.26
CCCC(NC(=O)C=CC1=CC(OC)=NS1)C1=N[N-]N=N1	REAL000000006787	1	36	-1.0	-44.12	328.70	0.86	-43.26
CCCC(NC(=O)C=CC1=CC(OC)=NS1)C1=NNN=N1	REAL000000006787	1	37	0.0	-11.19	332.14	0.87	-10.31
CCCC(NC(=O)C=CC1=CC2=C(NC1=O)N(C(C)C)N=C2)C1=NN=N[N-]1	REAL000000006788	0	48	-1.0	-54.36	401.46	4.42	-49.94
CCCC(NC(=O)C=CC1=CC2=C(NC1=O)N(C(C)C)N=C2)C1=N[N-]N=N1	REAL000000006788	1	48	-1.0	-54.37	401.40	4.41	-49.96
CCCC(NC(=O)C=CC1=CC2=C(NC1=O)N(C(C)C)N=C2)C1=NNN=N1	REAL000000006788	1	49	0.0	-16.02	404.84	4.43	-11.59
CCCC(NC(=O)C1=CC=CN2C(CC(C)C)=NN=C12)C1=NN=N[N-]1	REAL000000006789	0	46	-1.0	-57.68	374.86	6.80	-50.88
CCCC(NC(=O)C1=CC=CN2C(CC(C)C)=NN=C12)C1=N[N-]N=N1	REAL000000006789	1	46	-1.0	-57.69	374.81	6.80	-50.89
CCCC(NC(=O)C1=CC=CN2C(CC(C)C)=NN=C12)C1=NNN=N1	REAL000000006789	1	47	0.0	-17.39	378.24	6.81	-10.58
CCCC(NC(=O)C(F)(F)C1(OC)CCC1)C1=NN=N[N-]1	REAL000000006790	0	39	-1.0	-42.45	319.31	2.22	-40.23
CCCC(NC(=O)C(F)(F)C1(OC)CCC1)C1=N[N-]N=N1	REAL000000006790	1	39	-1.0	-42.45	319.25	2.21	-40.24
CCCC(NC(=O)C(F)(F)C1(OC)CCC1)C1=NNN=N1	REAL000000006790	1	40	0.0	-8.33	323.70	3.51	-4.82
CCCC(NC(=O)C1=CSC(CC(F)(F)F)=N1)C1=NN=N[N-]1	REAL000000006791	0	34	-1.0	-46.91	324.03	2.50	-44.41
CCCC(NC(=O)C1=CSC(CC(F)(F)F)=N1)C1=N[N-]N=N1	REAL000000006791	1	34	-1.0	-46.91	323.97	2.49	-44.43
CCCC(NC(=O)C1=CSC(CC(F)(F)F)=N1)C1=NNN=N1	REAL000000006791	1	35	0.0	-9.69	320.23	2.17	-7.52
CCCC(NC(=O)CC1CC(OC(C)(C)C)C12CCC2)C1=NN=N[N-]1	REAL000000006792	0	55	-1.0	-50.11	420.61	6.21	-43.90
CCCC(NC(=O)CC1CC(OC(C)(C)C)C12CCC2)C1=N[N-]N=N1	REAL000000006792	1	55	-1.0	-50.11	420.55	6.20	-43.91
CCCC(NC(=O)CC1CC(OC(C)(C)C)C12CCC2)C1=NNN=N1	REAL000000006792	1	56	0.0	-6.92	416.12	5.94	-0.99
CCCC(NC(=O)CC1CSC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL000000006793	0	44	-1.0	-51.65	367.87	5.52	-46.13
CCCC(NC(=O)CC1CSC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL000000006793	1	44	-1.0	-51.65	367.81	5.52	-46.13
CCCC(NC(=O)CC1CSC2=CC=CC=C2NC1=O)C1=NNN=N1	REAL000000006793	1	45	0.0	-15.25	371.05	5.54	-9.71
CCCC(NC(=O)C1=COC2=C(F)C=C(F)C=C12)C1=NN=N[N-]1	REAL000000006794	0	35	-1.0	-47.36	315.86	4.11	-43.25
CCCC(NC(=O)C1=COC2=C(F)C=C(F)C=C12)C1=N[N-]N=N1	REAL000000006794	1	35	-1.0	-47.36	315.81	4.11	-43.24
CCCC(NC(=O)C1=COC2=C(F)C=C(F)C=C12)C1=NNN=N1	REAL000000006794	1	36	0.0	-10.04	312.06	3.79	-6.26
CCCC(NC(=O)C1=CC=C2C=CC=C(CC)C2=N1)C1=NN=N[N-]1	REAL000000006795	0	43	-1.0	-48.54	359.54	5.64	-42.90
CCCC(NC(=O)C1=CC=C2C=CC=C(CC)C2=N1)C1=N[N-]N=N1	REAL000000006795	1	43	-1.0	-48.54	359.49	5.64	-42.90
CCCC(NC(=O)C1=CC=C2C=CC=C(CC)C2=N1)C1=NNN=N1	REAL000000006795	1	44	0.0	-10.73	362.91	5.65	-5.08
CCCC(NC(=O)C1=CC=C(C2(C(F)(F)F)CC2)C=C1)C1=NN=N[N-]1	REAL000000006796	0	42	-1.0	-45.64	361.59	6.55	-39.08
CCCC(NC(=O)C1=CC=C(C2(C(F)(F)F)CC2)C=C1)C1=N[N-]N=N1	REAL000000006796	1	42	-1.0	-45.63	361.53	6.55	-39.08
CCCC(NC(=O)C1=CC=C(C2(C(F)(F)F)CC2)C=C1)C1=NNN=N1	REAL000000006796	1	43	0.0	-11.32	364.96	6.56	-4.76
CCCC(NC(=O)C1=CN(C2=NC(C3CC3)=NS2)C=N1)C1=NN=N[N-]1	REAL000000006797	0	41	-1.0	-45.38	371.29	6.15	-39.23
CCCC(NC(=O)C1=CN(C2=NC(C3CC3)=NS2)C=N1)C1=N[N-]N=N1	REAL000000006797	1	41	-1.0	-45.38	371.23	6.15	-39.22
CCCC(NC(=O)C1=CN(C2=NC(C3CC3)=NS2)C=N1)C1=NNN=N1	REAL000000006797	1	42	0.0	-10.51	374.67	6.16	-4.34
CCCC(NC(=O)C1CC(C)(C)C1C(F)(F)F)C1=NN=N[N-]1	REAL000000006798	0	41	-1.0	-43.98	337.36	4.50	-39.48
CCCC(NC(=O)C1CC(C)(C)C1C(F)(F)F)C1=N[N-]N=N1	REAL000000006798	1	41	-1.0	-43.98	337.30	4.50	-39.47
CCCC(NC(=O)C1CC(C)(C)C1C(F)(F)F)C1=NNN=N1	REAL000000006798	1	42	0.0	-10.14	340.73	4.51	-5.63
CCCC(NC(=O)C1=CC=C2C(=O)NCCC2=C1)C1=NN=N[N-]1	REAL000000006799	0	40	-1.0	-48.19	333.90	2.11	-46.08
CCCC(NC(=O)C1=CC=C2C(=O)NCCC2=C1)C1=N[N-]N=N1	REAL000000006799	1	40	-1.0	-48.19	333.84	2.10	-46.09
CCCC(NC(=O)C1=CC=C2C(=O)NCCC2=C1)C1=NNN=N1	REAL000000006799	1	41	0.0	-14.91	337.28	2.12	-12.79
CCCC(NC(=O)C1CCC(=O)N(C(C)C)C1)C1=NN=N[N-]1	REAL000000006800	0	45	-1.0	-45.22	351.59	3.44	-41.78
CCCC(NC(=O)C1CCC(=O)N(C(C)C)C1)C1=N[N-]N=N1	REAL000000006800	1	45	-1.0	-45.21	351.53	3.43	-41.78
CCCC(NC(=O)C1CCC(=O)N(C(C)C)C1)C1=NNN=N1	REAL000000006800	1	46	0.0	-10.48	347.78	3.12	-7.36
CCCC(NC(=O)C1=CC=C2CNC(=O)C2=C1)C1=NN=N[N-]1	REAL000000006801	0	37	-1.0	-59.13	316.55	1.15	-57.98
CCCC(NC(=O)C1=CC=C2CNC(=O)C2=C1)C1=N[N-]N=N1	REAL000000006801	1	37	-1.0	-59.13	316.49	1.14	-57.99
CCCC(NC(=O)C1=CC=C2CNC(=O)C2=C1)C1=NNN=N1	REAL000000006801	1	38	0.0	-18.54	312.74	0.82	-17.72
CCCC(NC(=O)C1=CSC(C(=O)OCC)=N1)C1=NN=N[N-]1	REAL000000006802	0	37	-1.0	-48.03	340.75	2.35	-45.68
CCCC(NC(=O)C1=CSC(C(=O)OCC)=N1)C1=N[N-]N=N1	REAL000000006802	1	37	-1.0	-48.04	340.69	2.35	-45.69
CCCC(NC(=O)C1=CSC(C(=O)OCC)=N1)C1=NNN=N1	REAL000000006802	1	38	0.0	-12.16	344.13	2.36	-9.80
CCCC(NC(=O)C[C@H](C)C1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000006803	0	44	-1.0	-43.68	372.55	6.55	-37.14
CCCC(NC(=O)C[C@H](C)C1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000006803	1	44	-1.0	-43.69	372.50	6.55	-37.14
CCCC(NC(=O)C[C@H](C)C1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000006803	1	45	0.0	-10.35	375.93	6.56	-3.79
CCCC(NC(=O)C[C@H](C)C1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL000000006804	0	44	-1.0	-46.21	359.85	4.22	-41.99
CCCC(NC(=O)C[C@H](C)C1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL000000006804	1	44	-1.0	-46.21	359.79	4.23	-41.98
CCCC(NC(=O)C[C@H](C)C1=CC=C2OCOC2=C1)C1=NNN=N1	REAL000000006804	1	45	0.0	-13.78	363.23	4.24	-9.55
CCCC(NC(=O)CC1CCCC2(CCC2)O1)C1=NN=N[N-]1	REAL000000006805	0	46	-1.0	-48.80	357.84	5.11	-43.69
CCCC(NC(=O)CC1CCCC2(CCC2)O1)C1=N[N-]N=N1	REAL000000006805	1	46	-1.0	-48.81	357.78	5.10	-43.71
CCCC(NC(=O)CC1CCCC2(CCC2)O1)C1=NNN=N1	REAL000000006805	1	47	0.0	-11.64	362.25	5.17	-6.47
CCCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL000000006806	0	52	-1.0	-50.11	406.88	4.43	-45.68
CCCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL000000006806	1	52	-1.0	-50.10	406.82	4.42	-45.68
CCCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1)C1=NNN=N1	REAL000000006806	1	53	0.0	-15.33	410.26	4.43	-10.89
CCCC(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL000000006807	0	52	-1.0	-52.31	409.81	3.71	-48.60
CCCC(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL000000006807	1	52	-1.0	-52.31	409.75	3.70	-48.60
CCCC(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1)C1=NNN=N1	REAL000000006807	1	53	0.0	-12.42	405.99	3.39	-9.03
CCCC(NC(=O)C[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006808	0	52	-1.0	-44.28	412.45	4.59	-39.69
CCCC(NC(=O)C[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006808	1	52	-1.0	-44.27	412.39	4.58	-39.69
CCCC(NC(=O)C[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006808	1	53	0.0	-10.36	415.84	4.60	-5.76
CCCC(NC(=O)CN1N=CC(Br)=C1C)C1=NN=N[N-]1	REAL000000006809	0	35	-1.0	-51.04	321.58	2.81	-48.23
CCCC(NC(=O)CN1N=CC(Br)=C1C)C1=N[N-]N=N1	REAL000000006809	1	35	-1.0	-51.03	321.53	2.81	-48.22
CCCC(NC(=O)CN1N=CC(Br)=C1C)C1=NNN=N1	REAL000000006809	1	36	0.0	-14.54	324.97	2.82	-11.72
CCCC(NC(=O)C1CNC(=O)CC12CCC2)C1=NN=N[N-]1	REAL000000006810	0	43	-1.0	-50.18	337.01	1.62	-48.56
CCCC(NC(=O)C1CNC(=O)CC12CCC2)C1=N[N-]N=N1	REAL000000006810	1	43	-1.0	-50.18	336.95	1.62	-48.56
CCCC(NC(=O)C1CNC(=O)CC12CCC2)C1=NNN=N1	REAL000000006810	1	44	0.0	-13.69	333.20	1.30	-12.39
CCCC(NC(=O)CSC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL000000006811	0	36	-1.0	-48.43	336.70	5.35	-43.08
CCCC(NC(=O)CSC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL000000006811	1	36	-1.0	-48.42	336.64	5.34	-43.09
CCCC(NC(=O)CSC1=CC=CC=C1Br)C1=NNN=N1	REAL000000006811	1	37	0.0	-10.84	332.89	5.02	-5.82
CCCC(NC(=O)CC1COCCN1CC(F)(F)F)C1=NN=N[N-]1	REAL000000006812	0	44	-1.0	-49.79	348.09	0.21	-49.58
CCCC(NC(=O)CC1COCCN1CC(F)(F)F)C1=N[N-]N=N1	REAL000000006812	1	44	-1.0	-49.79	348.03	0.20	-49.59
CCCC(NC(=O)CC1COCCN1CC(F)(F)F)C1=NNN=N1	REAL000000006812	1	45	0.0	-12.02	359.50	0.62	-11.40
C=C(F)C1(CC(=O)NC(CCC)C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL000000006813	0	53	-1.0	-51.37	423.84	4.79	-46.58
C=C(F)C1(CC(=O)NC(CCC)C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL000000006813	1	53	-1.0	-51.36	423.78	4.78	-46.59
C=C(F)C1(CC(=O)NC(CCC)C2=NNN=N2)CN(C(=O)OC(C)(C)C)C1	REAL000000006813	1	54	0.0	-19.67	427.22	4.80	-14.87
CCCC(NC(=O)CC1CCN(C(=O)OC(C)(C)C)C1(C)C)C1=NN=N[N-]1	REAL000000006814	0	58	-1.0	-46.07	438.81	5.56	-40.51
CCCC(NC(=O)CC1CCN(C(=O)OC(C)(C)C)C1(C)C)C1=N[N-]N=N1	REAL000000006814	1	58	-1.0	-46.06	438.75	5.56	-40.50
CCCC(NC(=O)CC1CCN(C(=O)OC(C)(C)C)C1(C)C)C1=NNN=N1	REAL000000006814	1	59	0.0	-13.09	442.24	5.57	-7.53
CCCC(NC(=O)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000006815	0	55	-1.0	-45.13	419.11	5.18	-39.95
CCCC(NC(=O)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000006815	1	55	-1.0	-45.13	419.06	5.17	-39.96
CCCC(NC(=O)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006815	1	56	0.0	-10.82	408.24	4.87	-5.95
CCCC(NC(=O)CC12CCC(CC1)C2(C)C)C1=NN=N[N-]1	REAL000000006816	0	48	-1.0	-45.97	351.60	5.60	-40.37
CCCC(NC(=O)CC12CCC(CC1)C2(C)C)C1=N[N-]N=N1	REAL000000006816	1	48	-1.0	-45.97	351.54	5.60	-40.37
CCCC(NC(=O)CC12CCC(CC1)C2(C)C)C1=NNN=N1	REAL000000006816	1	49	0.0	-9.10	356.90	5.67	-3.43
CCCC(NC(=O)CN1C=C(C2CCOC2)C=N1)C1=NN=N[N-]1	REAL000000006817	0	43	-1.0	-55.04	356.19	2.44	-52.60
CCCC(NC(=O)CN1C=C(C2CCOC2)C=N1)C1=N[N-]N=N1	REAL000000006817	1	43	-1.0	-55.04	356.13	2.43	-52.61
CCCC(NC(=O)CN1C=C(C2CCOC2)C=N1)C1=NNN=N1	REAL000000006817	1	44	0.0	-18.46	359.54	2.45	-16.01
CCCC(NC(=O)C1=CC(CC)=CC2=C1OCC2)C1=NN=N[N-]1	REAL000000006818	0	43	-1.0	-53.61	352.18	5.86	-47.75
CCCC(NC(=O)C1=CC(CC)=CC2=C1OCC2)C1=N[N-]N=N1	REAL000000006818	1	43	-1.0	-53.62	352.12	5.85	-47.77
CCCC(NC(=O)C1=CC(CC)=CC2=C1OCC2)C1=NNN=N1	REAL000000006818	1	44	0.0	-14.80	355.56	5.85	-8.95
CCCC(NC(=O)CCC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000006819	0	52	-1.0	-46.59	431.65	8.40	-38.19
CCCC(NC(=O)CCC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000006819	1	52	-1.0	-46.59	431.59	8.39	-38.19
CCCC(NC(=O)CCC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000006819	1	53	0.0	-12.50	435.02	8.41	-4.09
CCCC(NC(=O)CN(CCC(F)(F)F)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006820	0	51	-1.0	-52.82	420.64	5.42	-47.39
CCCC(NC(=O)CN(CCC(F)(F)F)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006820	1	51	-1.0	-52.81	420.58	5.41	-47.40
CCCC(NC(=O)CN(CCC(F)(F)F)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006820	1	52	0.0	-11.56	414.94	5.03	-6.53
CCCC(NC(=O)C1=C2C=CSC2=CC=C1)C1=NN=N[N-]1	REAL000000006821	0	35	-1.0	-48.60	307.00	4.98	-43.62
CCCC(NC(=O)C1=C2C=CSC2=CC=C1)C1=N[N-]N=N1	REAL000000006821	1	35	-1.0	-48.61	306.94	4.97	-43.63
CCCC(NC(=O)C1=C2C=CSC2=CC=C1)C1=NNN=N1	REAL000000006821	1	36	0.0	-12.34	310.37	4.99	-7.35
CCCC(NC(=O)C1=CC=C(CN2C=C(Cl)C=N2)C=C1)C1=NN=N[N-]1	REAL000000006822	0	42	-1.0	-51.01	375.20	5.80	-45.21
CCCC(NC(=O)C1=CC=C(CN2C=C(Cl)C=N2)C=C1)C1=N[N-]N=N1	REAL000000006822	1	42	-1.0	-51.01	375.14	5.81	-45.21
CCCC(NC(=O)C1=CC=C(CN2C=C(Cl)C=N2)C=C1)C1=NNN=N1	REAL000000006822	1	43	0.0	-15.53	378.58	5.81	-9.71
CCCC(NC(=O)C1=CC(C(F)(F)F)=CS1)C1=NN=N[N-]1	REAL000000006823	0	32	-1.0	-44.97	306.36	3.67	-41.30
CCCC(NC(=O)C1=CC(C(F)(F)F)=CS1)C1=N[N-]N=N1	REAL000000006823	1	32	-1.0	-44.97	306.30	3.67	-41.30
CCCC(NC(=O)C1=CC(C(F)(F)F)=CS1)C1=NNN=N1	REAL000000006823	1	33	0.0	-8.04	302.55	3.35	-4.69
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C=C1N)C1=NN=N[N-]1	REAL000000006824	0	39	-1.0	-49.46	338.24	-3.16	-52.62
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C=C1N)C1=N[N-]N=N1	REAL000000006824	1	39	-1.0	-49.46	338.18	-3.17	-52.63
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C=C1N)C1=NNN=N1	REAL000000006824	1	40	0.0	-15.82	342.18	-3.16	-18.98
CCCC(NC(=O)C1=CC=CC(OCC2CC2)=C1)C1=NN=N[N-]1	REAL000000006825	0	43	-1.0	-49.90	357.36	5.48	-44.42
CCCC(NC(=O)C1=CC=CC(OCC2CC2)=C1)C1=N[N-]N=N1	REAL000000006825	1	43	-1.0	-49.90	357.30	5.48	-44.42
CCCC(NC(=O)C1=CC=CC(OCC2CC2)=C1)C1=NNN=N1	REAL000000006825	1	44	0.0	-9.72	353.54	5.17	-4.55
CCCC(NC(=O)C1=CC=C(SC)C=C1Cl)C1=NN=N[N-]1	REAL000000006826	0	36	-1.0	-47.47	326.91	5.18	-42.29
CCCC(NC(=O)C1=CC=C(SC)C=C1Cl)C1=N[N-]N=N1	REAL000000006826	1	36	-1.0	-47.46	326.86	5.18	-42.28
CCCC(NC(=O)C1=CC=C(SC)C=C1Cl)C1=NNN=N1	REAL000000006826	1	37	0.0	-12.54	330.29	5.19	-7.35
CCCC(NC(=O)C1=CC(Cl)=C(C)C(Br)=C1)C1=NN=N[N-]1	REAL000000006827	0	35	-1.0	-42.65	327.82	5.27	-37.38
CCCC(NC(=O)C1=CC(Cl)=C(C)C(Br)=C1)C1=N[N-]N=N1	REAL000000006827	1	35	-1.0	-42.65	327.77	5.27	-37.38
CCCC(NC(=O)C1=CC(Cl)=C(C)C(Br)=C1)C1=NNN=N1	REAL000000006827	1	36	0.0	-8.89	331.19	5.28	-3.60
CCCC(NC(=O)C1=C2SC(C(F)F)=NC2=CC=C1)C1=NN=N[N-]1	REAL000000006828	0	37	-1.0	-51.25	338.18	4.08	-47.17
CCCC(NC(=O)C1=C2SC(C(F)F)=NC2=CC=C1)C1=N[N-]N=N1	REAL000000006828	1	37	-1.0	-51.25	338.12	4.07	-47.18
CCCC(NC(=O)C1=C2SC(C(F)F)=NC2=CC=C1)C1=NNN=N1	REAL000000006828	1	38	0.0	-16.49	341.56	4.09	-12.40
CCCC(NC(=O)C1=CC=CC(C(C)(F)F)=C1)C1=NN=N[N-]1	REAL000000006829	0	38	-1.0	-47.75	327.54	5.18	-42.57
CCCC(NC(=O)C1=CC=CC(C(C)(F)F)=C1)C1=N[N-]N=N1	REAL000000006829	1	38	-1.0	-47.75	327.48	5.17	-42.58
CCCC(NC(=O)C1=CC=CC(C(C)(F)F)=C1)C1=NNN=N1	REAL000000006829	1	39	0.0	-9.53	323.73	4.86	-4.68
CCCC(NC(=O)C1=CC=C2C=CSC2=C1)C1=NN=N[N-]1	REAL000000006830	0	35	-1.0	-48.36	311.24	5.00	-43.36
CCCC(NC(=O)C1=CC=C2C=CSC2=C1)C1=N[N-]N=N1	REAL000000006830	1	35	-1.0	-48.36	311.18	5.00	-43.36
CCCC(NC(=O)C1=CC=C2C=CSC2=C1)C1=NNN=N1	REAL000000006830	1	36	0.0	-12.58	314.61	5.01	-7.57
CCCC(NC(=O)C1CCC2=NC(C)=NC=C2C1)C1=NN=N[N-]1	REAL000000006831	0	43	-1.0	-45.65	350.04	3.95	-41.70
CCCC(NC(=O)C1CCC2=NC(C)=NC=C2C1)C1=N[N-]N=N1	REAL000000006831	1	43	-1.0	-45.65	349.98	3.95	-41.70
CCCC(NC(=O)C1CCC2=NC(C)=NC=C2C1)C1=NNN=N1	REAL000000006831	1	44	0.0	-12.86	353.41	3.96	-8.90
CCCC(NC(=O)CC1=C(C)OC=C1C(F)(F)F)C1=NN=N[N-]1	REAL000000006832	0	38	-1.0	-45.26	339.68	4.10	-41.15
CCCC(NC(=O)CC1=C(C)OC=C1C(F)(F)F)C1=N[N-]N=N1	REAL000000006832	1	38	-1.0	-45.25	339.62	4.09	-41.16
CCCC(NC(=O)CC1=C(C)OC=C1C(F)(F)F)C1=NNN=N1	REAL000000006832	1	39	0.0	-10.14	335.83	3.78	-6.37
CCCC(NC(=O)C1CCC2=NC(CC)=NC=C2C1)C1=NN=N[N-]1	REAL000000006833	0	46	-1.0	-46.24	371.59	4.56	-41.68
CCCC(NC(=O)C1CCC2=NC(CC)=NC=C2C1)C1=N[N-]N=N1	REAL000000006833	1	46	-1.0	-46.23	371.54	4.56	-41.67
CCCC(NC(=O)C1CCC2=NC(CC)=NC=C2C1)C1=NNN=N1	REAL000000006833	1	47	0.0	-13.43	375.08	4.56	-8.87
CCCC(NC(=O)C(F)(F)OC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000006834	0	36	-1.0	-43.71	317.17	4.34	-39.37
CCCC(NC(=O)C(F)(F)OC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000006834	1	36	-1.0	-43.71	317.11	4.33	-39.37
CCCC(NC(=O)C(F)(F)OC1=CC=CC=C1)C1=NNN=N1	REAL000000006834	1	37	0.0	-8.17	313.38	3.92	-4.25
CCCC(NC(=O)C1=CC=C(CN2C=C(C)C=N2)C=C1)C1=NN=N[N-]1	REAL000000006835	0	45	-1.0	-51.50	380.01	5.97	-45.54
CCCC(NC(=O)C1=CC=C(CN2C=C(C)C=N2)C=C1)C1=N[N-]N=N1	REAL000000006835	1	45	-1.0	-51.51	379.95	5.96	-45.55
CCCC(NC(=O)C1=CC=C(CN2C=C(C)C=N2)C=C1)C1=NNN=N1	REAL000000006835	1	46	0.0	-12.44	376.21	5.64	-6.80
CCCC(NC(=O)CCC1=CC=C(Br)S1)C1=NN=N[N-]1	REAL000000006836	0	35	-1.0	-44.21	332.28	4.96	-39.25
CCCC(NC(=O)CCC1=CC=C(Br)S1)C1=N[N-]N=N1	REAL000000006836	1	35	-1.0	-44.20	332.22	4.95	-39.26
CCCC(NC(=O)CCC1=CC=C(Br)S1)C1=NNN=N1	REAL000000006836	1	36	0.0	-9.54	335.65	4.96	-4.57
CCCC(NC(=O)C1C2CC1(C1=NN(C)C=C1)CC2)C1=NN=N[N-]1	REAL000000006837	0	46	-1.0	-50.84	369.19	4.89	-45.95
CCCC(NC(=O)C1C2CC1(C1=NN(C)C=C1)CC2)C1=N[N-]N=N1	REAL000000006837	1	46	-1.0	-50.85	369.14	4.88	-45.97
CCCC(NC(=O)C1C2CC1(C1=NN(C)C=C1)CC2)C1=NNN=N1	REAL000000006837	1	47	0.0	-15.75	372.36	5.02	-10.73
CCCC(NC(=O)C1=NN(C2=CC=C(C(C)(C)C)C=C2)C(=O)CC1)C1=NN=N[N-]1	REAL000000006838	0	55	-1.0	-44.19	439.83	6.64	-37.55
CCCC(NC(=O)C1=NN(C2=CC=C(C(C)(C)C)C=C2)C(=O)CC1)C1=N[N-]N=N1	REAL000000006838	1	55	-1.0	-44.19	439.77	6.63	-37.56
CCCC(NC(=O)C1=NN(C2=CC=C(C(C)(C)C)C=C2)C(=O)CC1)C1=NNN=N1	REAL000000006838	1	56	0.0	-12.02	443.20	6.65	-5.37
CCCC(NC(=O)C1=CC2=C(C=C(C)S2)N1CC1CC1)C1=NN=N[N-]1	REAL000000006839	0	46	-1.0	-46.81	391.55	7.52	-39.29
CCCC(NC(=O)C1=CC2=C(C=C(C)S2)N1CC1CC1)C1=N[N-]N=N1	REAL000000006839	1	46	-1.0	-46.81	391.49	7.52	-39.29
CCCC(NC(=O)C1=CC2=C(C=C(C)S2)N1CC1CC1)C1=NNN=N1	REAL000000006839	1	47	0.0	-9.80	394.16	7.53	-2.27
CCCC(NC(=O)CCC=CBr)C1=NN=N[N-]1	REAL000000006840	0	32	-1.0	-43.37	294.76	3.39	-39.98
CCCC(NC(=O)CCC=CBr)C1=N[N-]N=N1	REAL000000006840	1	32	-1.0	-43.37	294.70	3.38	-40.00
CCCC(NC(=O)CCC=CBr)C1=NNN=N1	REAL000000006840	1	33	0.0	-7.10	290.96	3.06	-4.05
CCCC(NC(=O)C(CC1CCOC1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006841	0	56	-1.0	-47.14	423.06	2.87	-44.27
CCCC(NC(=O)C(CC1CCOC1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006841	1	56	-1.0	-47.13	423.00	2.87	-44.26
CCCC(NC(=O)C(CC1CCOC1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006841	1	57	0.0	-8.59	422.63	1.45	-7.14
CCCC(NC(=O)C(C)C1=CC(C)=CC(F)=C1)C1=NN=N[N-]1	REAL000000006842	0	41	-1.0	-51.16	342.73	5.62	-45.55
CCCC(NC(=O)C(C)C1=CC(C)=CC(F)=C1)C1=N[N-]N=N1	REAL000000006842	1	41	-1.0	-51.16	342.67	5.61	-45.56
CCCC(NC(=O)C(C)C1=CC(C)=CC(F)=C1)C1=NNN=N1	REAL000000006842	1	42	0.0	-12.35	346.10	5.62	-6.73
CCCC(NC(=O)C1=CC(C(F)(F)F)=NC=C1OC)C1=NN=N[N-]1	REAL000000006843	0	38	-1.0	-46.12	337.51	3.47	-42.65
CCCC(NC(=O)C1=CC(C(F)(F)F)=NC=C1OC)C1=N[N-]N=N1	REAL000000006843	1	38	-1.0	-46.12	337.45	3.47	-42.65
CCCC(NC(=O)C1=CC(C(F)(F)F)=NC=C1OC)C1=NNN=N1	REAL000000006843	1	39	0.0	-9.81	333.69	3.04	-6.77
CCCC(NC(=O)C1=CC2=C(C=CS2)N1CC(F)(F)F)C1=NN=N[N-]1	REAL000000006844	0	39	-1.0	-45.15	355.92	5.55	-39.60
CCCC(NC(=O)C1=CC2=C(C=CS2)N1CC(F)(F)F)C1=N[N-]N=N1	REAL000000006844	1	39	-1.0	-45.13	355.86	5.54	-39.59
CCCC(NC(=O)C1=CC2=C(C=CS2)N1CC(F)(F)F)C1=NNN=N1	REAL000000006844	1	40	0.0	-11.05	359.30	5.56	-5.49
CCCC(NC(=O)C1=CC2=C(CC(C)(C)CC2)N=C1Cl)C1=NN=N[N-]1	REAL000000006845	0	47	-1.0	-47.67	380.69	5.69	-41.97
CCCC(NC(=O)C1=CC2=C(CC(C)(C)CC2)N=C1Cl)C1=N[N-]N=N1	REAL000000006845	1	47	-1.0	-47.67	380.64	5.68	-41.99
CCCC(NC(=O)C1=CC2=C(CC(C)(C)CC2)N=C1Cl)C1=NNN=N1	REAL000000006845	1	48	0.0	-13.51	384.07	5.69	-7.81
CCCC(NC(=O)CC1=CSC(NC2=CC=C(Cl)C=N2)=N1)C1=NN=N[N-]1	REAL000000006846	0	42	-1.0	-53.52	386.12	5.39	-48.13
CCCC(NC(=O)CC1=CSC(NC2=CC=C(Cl)C=N2)=N1)C1=N[N-]N=N1	REAL000000006846	1	42	-1.0	-53.52	386.06	5.39	-48.12
CCCC(NC(=O)CC1=CSC(NC2=CC=C(Cl)C=N2)=N1)C1=NNN=N1	REAL000000006846	1	43	0.0	-16.31	389.50	5.40	-10.91
CCCC(NC(=O)CC(C1=CC=CC=C1F)C(F)F)C1=NN=N[N-]1	REAL000000006847	0	41	-1.0	-48.34	347.96	5.68	-42.66
CCCC(NC(=O)CC(C1=CC=CC=C1F)C(F)F)C1=N[N-]N=N1	REAL000000006847	1	41	-1.0	-48.34	347.91	5.67	-42.67
CCCC(NC(=O)CC(C1=CC=CC=C1F)C(F)F)C1=NNN=N1	REAL000000006847	1	42	0.0	-12.36	351.20	5.73	-6.63
CCCC(NC(=O)COC1=CC=CC=C1C(F)F)C1=NN=N[N-]1	REAL000000006848	0	39	-1.0	-56.05	340.48	5.19	-50.86
CCCC(NC(=O)COC1=CC=CC=C1C(F)F)C1=N[N-]N=N1	REAL000000006848	1	39	-1.0	-56.04	340.42	5.19	-50.85
CCCC(NC(=O)COC1=CC=CC=C1C(F)F)C1=NNN=N1	REAL000000006848	1	40	0.0	-15.44	336.67	4.78	-10.67
CCCC(NC(=O)C1=CC=CC(C2CC2(F)F)=C1)C1=NN=N[N-]1	REAL000000006849	0	39	-1.0	-52.93	334.19	5.84	-47.09
CCCC(NC(=O)C1=CC=CC(C2CC2(F)F)=C1)C1=N[N-]N=N1	REAL000000006849	1	39	-1.0	-52.93	334.13	5.84	-47.09
CCCC(NC(=O)C1=CC=CC(C2CC2(F)F)=C1)C1=NNN=N1	REAL000000006849	1	40	0.0	-11.12	330.37	5.53	-5.59
CCCC(NC(=O)C1=CC2=C(OCC)C=CN=C2S1)C1=NN=N[N-]1	REAL000000006851	0	41	-1.0	-49.50	359.69	3.44	-46.06
CCCC(NC(=O)C1=CC2=C(OCC)C=CN=C2S1)C1=N[N-]N=N1	REAL000000006851	1	41	-1.0	-49.50	359.64	3.43	-46.07
CCCC(NC(=O)C1=CC2=C(OCC)C=CN=C2S1)C1=NNN=N1	REAL000000006851	1	42	0.0	-10.65	355.86	3.12	-7.53
CCCC(NC(=O)C1=CN=C(C2CCOCC2)N=C1C)C1=NN=N[N-]1	REAL000000006852	0	47	-1.0	-43.35	376.49	3.02	-40.33
CCCC(NC(=O)C1=CN=C(C2CCOCC2)N=C1C)C1=N[N-]N=N1	REAL000000006852	1	47	-1.0	-43.35	376.43	3.02	-40.33
CCCC(NC(=O)C1=CN=C(C2CCOCC2)N=C1C)C1=NNN=N1	REAL000000006852	1	48	0.0	-10.74	379.86	3.03	-7.71
CCCC(NC(=O)C[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006853	0	57	-1.0	-50.23	454.13	3.68	-46.55
CCCC(NC(=O)C[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006853	1	57	-1.0	-50.23	454.08	3.69	-46.54
CCCC(NC(=O)C[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006853	1	58	0.0	-16.60	457.51	3.69	-12.90
CCCC(NC(=O)C1CC2CC1C1C2C1(F)F)C1=NN=N[N-]1	REAL000000006854	0	40	-1.0	-44.11	319.67	4.80	-39.30
CCCC(NC(=O)C1CC2CC1C1C2C1(F)F)C1=N[N-]N=N1	REAL000000006854	1	40	-1.0	-44.10	319.61	4.80	-39.31
CCCC(NC(=O)C1CC2CC1C1C2C1(F)F)C1=NNN=N1	REAL000000006854	1	41	0.0	-10.73	322.65	4.82	-5.91
CCCC(NC(=O)C1C2CC1(C1=CN=CS1)CC2)C1=NN=N[N-]1	REAL000000006855	0	42	-1.0	-48.29	347.45	4.48	-43.81
CCCC(NC(=O)C1C2CC1(C1=CN=CS1)CC2)C1=N[N-]N=N1	REAL000000006855	1	42	-1.0	-48.29	347.39	4.48	-43.81
CCCC(NC(=O)C1C2CC1(C1=CN=CS1)CC2)C1=NNN=N1	REAL000000006855	1	43	0.0	-11.69	354.01	4.42	-7.27
CCCC(NC(=O)C1CCC2(CC1)COCCO2)C1=NN=N[N-]1	REAL000000006856	0	47	-1.0	-50.36	358.90	2.96	-47.39
CCCC(NC(=O)C1CCC2(CC1)COCCO2)C1=N[N-]N=N1	REAL000000006856	1	47	-1.0	-50.35	358.85	2.96	-47.40
CCCC(NC(=O)C1CCC2(CC1)COCCO2)C1=NNN=N1	REAL000000006856	1	48	0.0	-9.28	355.11	2.64	-6.64
CCCC(NC(=O)C=CC1=CC=C([N+](=O)[O-])S1)C1=NN=N[N-]1	REAL000000006857	0	35	-1.0	-45.36	328.97	4.75	-40.61
CCCC(NC(=O)C=CC1=CC=C([N+](=O)[O-])S1)C1=N[N-]N=N1	REAL000000006857	1	35	-1.0	-45.37	328.92	4.75	-40.61
CCCC(NC(=O)C=CC1=CC=C([N+](=O)[O-])S1)C1=NNN=N1	REAL000000006857	1	36	0.0	-13.27	332.35	4.76	-8.51
CCCC(NC(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000006858	0	58	-1.0	-48.85	445.54	4.41	-44.44
CCCC(NC(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000006858	1	58	-1.0	-48.84	445.48	4.41	-44.43
CCCC(NC(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000006858	1	59	0.0	-13.97	448.91	4.42	-9.55
CCCC(NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)C1=NN=N[N-]1	REAL000000006859	0	43	-1.0	-47.02	352.66	6.33	-40.69
CCCC(NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)C1=N[N-]N=N1	REAL000000006859	1	43	-1.0	-47.02	352.61	6.32	-40.70
CCCC(NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)C1=NNN=N1	REAL000000006859	1	44	0.0	-8.57	355.75	6.35	-2.22
CCCC(NC(=O)C1=NN2CCNS(=O)(=O)C2=C1)C1=NN=N[N-]1	REAL000000006860	0	38	-1.0	-57.32	335.65	-3.22	-60.54
CCCC(NC(=O)C1=NN2CCNS(=O)(=O)C2=C1)C1=N[N-]N=N1	REAL000000006860	1	38	-1.0	-57.32	335.59	-3.23	-60.55
CCCC(NC(=O)C1=NN2CCNS(=O)(=O)C2=C1)C1=NNN=N1	REAL000000006860	1	39	0.0	-21.02	339.03	-3.21	-24.23
CCCC(NC(=O)C1=CC2=C(CCCNC2=O)O1)C1=NN=N[N-]1	REAL000000006861	0	40	-1.0	-52.25	336.12	0.98	-51.27
CCCC(NC(=O)C1=CC2=C(CCCNC2=O)O1)C1=N[N-]N=N1	REAL000000006861	1	40	-1.0	-52.24	336.07	0.98	-51.26
CCCC(NC(=O)C1=CC2=C(CCCNC2=O)O1)C1=NNN=N1	REAL000000006861	1	41	0.0	-16.75	339.50	0.99	-15.76
CCCC(NC(=O)C1=C2C=C(F)C=CC2=NN1)C1=NN=N[N-]1	REAL000000006862	0	35	-1.0	-46.83	307.79	2.39	-44.44
CCCC(NC(=O)C1=C2C=C(F)C=CC2=NN1)C1=N[N-]N=N1	REAL000000006862	1	35	-1.0	-46.83	307.73	2.39	-44.43
CCCC(NC(=O)C1=C2C=C(F)C=CC2=NN1)C1=NNN=N1	REAL000000006862	1	36	0.0	-13.05	311.16	2.40	-10.66
CCCC(NC(=O)C(O)C1=CC(F)=C(F)C=C1F)C1=NN=N[N-]1	REAL000000006863	0	36	-1.0	-43.28	320.37	2.66	-40.62
CCCC(NC(=O)C(O)C1=CC(F)=C(F)C=C1F)C1=N[N-]N=N1	REAL000000006863	1	36	-1.0	-43.28	320.31	2.66	-40.62
CCCC(NC(=O)C(O)C1=CC(F)=C(F)C=C1F)C1=NNN=N1	REAL000000006863	1	37	0.0	-7.95	316.52	2.24	-5.71
CCCC(NC(=O)C(O)C1=CC(F)=C(F)C(F)=C1)C1=NN=N[N-]1	REAL000000006864	0	36	-1.0	-43.66	326.08	2.56	-41.10
CCCC(NC(=O)C(O)C1=CC(F)=C(F)C(F)=C1)C1=N[N-]N=N1	REAL000000006864	1	36	-1.0	-43.65	326.02	2.56	-41.09
CCCC(NC(=O)C(O)C1=CC(F)=C(F)C(F)=C1)C1=NNN=N1	REAL000000006864	1	37	0.0	-14.30	328.94	2.59	-11.70
CCCC(NC(=O)C1=C(Cl)C(CC)=NN1C)C1=NN=N[N-]1	REAL000000006865	0	38	-1.0	-45.48	339.89	3.13	-42.34
CCCC(NC(=O)C1=C(Cl)C(CC)=NN1C)C1=N[N-]N=N1	REAL000000006865	1	38	-1.0	-45.47	339.83	3.12	-42.35
CCCC(NC(=O)C1=C(Cl)C(CC)=NN1C)C1=NNN=N1	REAL000000006865	1	39	0.0	-8.53	336.31	2.78	-5.75
CCCC(NC(=O)CSC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL000000006866	0	36	-1.0	-47.16	323.91	4.86	-42.30
CCCC(NC(=O)CSC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL000000006866	1	36	-1.0	-47.15	323.85	4.85	-42.30
CCCC(NC(=O)CSC1=CC=CC(F)=C1)C1=NNN=N1	REAL000000006866	1	37	0.0	-14.00	327.29	4.87	-9.14
CCCC(NC(=O)C1=CC2=C(C=C(Br)O2)N1)C1=NN=N[N-]1	REAL000000006867	0	33	-1.0	-44.11	310.23	2.37	-41.74
CCCC(NC(=O)C1=CC2=C(C=C(Br)O2)N1)C1=N[N-]N=N1	REAL000000006867	1	33	-1.0	-44.11	310.17	2.37	-41.74
CCCC(NC(=O)C1=CC2=C(C=C(Br)O2)N1)C1=NNN=N1	REAL000000006867	1	34	0.0	-11.74	313.61	2.39	-9.36
CCCC(NC(=O)C1CCC(=O)N1CCC(F)(F)F)C1=NN=N[N-]1	REAL000000006868	0	42	-1.0	-52.63	360.97	3.41	-49.22
CCCC(NC(=O)C1CCC(=O)N1CCC(F)(F)F)C1=N[N-]N=N1	REAL000000006868	1	42	-1.0	-52.63	360.91	3.41	-49.21
CCCC(NC(=O)C1CCC(=O)N1CCC(F)(F)F)C1=NNN=N1	REAL000000006868	1	43	0.0	-18.62	364.62	3.41	-15.20
CCCC(NC(=O)C1=CC(Br)=CC(Cl)=C1C)C1=NN=N[N-]1	REAL000000006869	0	35	-1.0	-41.40	325.54	5.37	-36.03
CCCC(NC(=O)C1=CC(Br)=CC(Cl)=C1C)C1=N[N-]N=N1	REAL000000006869	1	35	-1.0	-41.40	325.48	5.37	-36.03
CCCC(NC(=O)C1=CC(Br)=CC(Cl)=C1C)C1=NNN=N1	REAL000000006869	1	36	0.0	-7.81	328.92	5.38	-2.42
CCCC(NC(=O)C1CC(=O)NC2=NC=CC=C21)C1=NN=N[N-]1	REAL000000006870	0	39	-1.0	-48.84	329.54	1.72	-47.12
CCCC(NC(=O)C1CC(=O)NC2=NC=CC=C21)C1=N[N-]N=N1	REAL000000006870	1	39	-1.0	-48.83	329.48	1.72	-47.11
CCCC(NC(=O)C1CC(=O)NC2=NC=CC=C21)C1=NNN=N1	REAL000000006870	1	40	0.0	-20.51	332.91	1.73	-18.78
CCCC(NC(=O)C1=CC2=C(CC(C)(C)CC2)N=C1Cl)C1=NN=N[N-]1	REAL000000006871	0	47	-1.0	-47.67	380.69	5.69	-41.97
CCCC(NC(=O)C1=CC2=C(CC(C)(C)CC2)N=C1Cl)C1=N[N-]N=N1	REAL000000006871	1	47	-1.0	-47.67	380.64	5.68	-41.99
CCCC(NC(=O)C1=CC2=C(CC(C)(C)CC2)N=C1Cl)C1=NNN=N1	REAL000000006871	1	48	0.0	-13.51	384.07	5.69	-7.81
CCCC(NC(=O)C1=CC2=CC(C)=CC(C)=C2N1)C1=NN=N[N-]1	REAL000000006872	0	42	-1.0	-46.02	350.67	4.89	-41.13
CCCC(NC(=O)C1=CC2=CC(C)=CC(C)=C2N1)C1=N[N-]N=N1	REAL000000006872	1	42	-1.0	-46.02	350.61	4.89	-41.13
CCCC(NC(=O)C1=CC2=CC(C)=CC(C)=C2N1)C1=NNN=N1	REAL000000006872	1	43	0.0	-11.39	354.07	4.90	-6.49
CCCC(NC(=O)C1=CC2=C(N1)SC(C)=N2)C1=NN=N[N-]1	REAL000000006873	0	35	-1.0	-47.31	315.05	1.50	-45.81
CCCC(NC(=O)C1=CC2=C(N1)SC(C)=N2)C1=N[N-]N=N1	REAL000000006873	1	35	-1.0	-47.31	314.99	1.50	-45.81
CCCC(NC(=O)C1=CC2=C(N1)SC(C)=N2)C1=NNN=N1	REAL000000006873	1	36	0.0	-13.67	318.42	1.51	-12.16
CCCC(NC(=O)C1=C2COC(C)(C)C2=NN1)C1=NN=N[N-]1	REAL000000006874	0	40	-1.0	-44.36	333.59	0.74	-43.62
CCCC(NC(=O)C1=C2COC(C)(C)C2=NN1)C1=N[N-]N=N1	REAL000000006874	1	40	-1.0	-44.36	333.53	0.73	-43.64
CCCC(NC(=O)C1=C2COC(C)(C)C2=NN1)C1=NNN=N1	REAL000000006874	1	41	0.0	-11.53	337.00	0.75	-10.78
CCCC(NC(=O)C1=CC(C2CCOCC2)=NN1)C1=NN=N[N-]1	REAL000000006875	0	43	-1.0	-44.75	350.75	1.48	-43.27
CCCC(NC(=O)C1=CC(C2CCOCC2)=NN1)C1=N[N-]N=N1	REAL000000006875	1	43	-1.0	-44.76	350.69	1.48	-43.28
CCCC(NC(=O)C1=CC(C2CCOCC2)=NN1)C1=NNN=N1	REAL000000006875	1	44	0.0	-11.54	354.13	1.49	-10.04
CCCC(NC(=O)C1=CN(C2CCCC2)N=C1)C1=NN=N[N-]1	REAL000000006876	0	42	-1.0	-46.27	342.21	4.03	-42.23
CCCC(NC(=O)C1=CN(C2CCCC2)N=C1)C1=N[N-]N=N1	REAL000000006876	1	42	-1.0	-46.27	342.15	4.04	-42.23
CCCC(NC(=O)C1=CN(C2CCCC2)N=C1)C1=NNN=N1	REAL000000006876	1	43	0.0	-11.35	345.59	4.04	-7.31
CCCC(NC(=O)C1=NOC2=C1CC(F)(F)CC2)C1=NN=N[N-]1	REAL000000006877	0	38	-1.0	-46.77	326.52	3.76	-43.01
CCCC(NC(=O)C1=NOC2=C1CC(F)(F)CC2)C1=N[N-]N=N1	REAL000000006877	1	38	-1.0	-46.77	326.46	3.76	-43.01
CCCC(NC(=O)C1=NOC2=C1CC(F)(F)CC2)C1=NNN=N1	REAL000000006877	1	39	0.0	-11.38	329.90	3.77	-7.62
CCCC(NC(=O)CCN1C=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL000000006878	0	41	-1.0	-46.72	348.11	5.48	-41.24
CCCC(NC(=O)CCN1C=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL000000006878	1	41	-1.0	-46.72	348.05	5.47	-41.26
CCCC(NC(=O)CCN1C=CC2=CC=CN=C21)C1=NNN=N1	REAL000000006878	1	42	0.0	-14.69	351.48	5.48	-9.20
CCCC(NC(=O)C1=CC(F)=C(C)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000006879	0	37	-1.0	-50.46	325.29	6.03	-44.43
CCCC(NC(=O)C1=CC(F)=C(C)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000006879	1	37	-1.0	-50.45	325.23	6.02	-44.43
CCCC(NC(=O)C1=CC(F)=C(C)C=C1[N+](=O)[O-])C1=NNN=N1	REAL000000006879	1	38	0.0	-11.54	323.91	5.24	-6.30
CCCC(NC(=O)CS(=O)(=O)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL000000006880	0	38	-1.0	-59.17	342.42	1.38	-57.78
CCCC(NC(=O)CS(=O)(=O)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL000000006880	1	38	-1.0	-59.16	342.36	1.38	-57.79
CCCC(NC(=O)CS(=O)(=O)C1=CC=CC=C1F)C1=NNN=N1	REAL000000006880	1	39	0.0	-18.22	338.61	1.07	-17.15
CCCC(NC(=O)C1=CC2=CC=C(OC)N=C2N1)C1=NN=N[N-]1	REAL000000006881	0	39	-1.0	-45.30	335.01	1.31	-43.99
CCCC(NC(=O)C1=CC2=CC=C(OC)N=C2N1)C1=N[N-]N=N1	REAL000000006881	1	39	-1.0	-45.30	334.95	1.30	-44.00
CCCC(NC(=O)C1=CC2=CC=C(OC)N=C2N1)C1=NNN=N1	REAL000000006881	1	40	0.0	-11.69	338.38	1.32	-10.37
CCCC(NC(=O)C1=C(C)SC(C(=O)OC)=C1)C1=NN=N[N-]1	REAL000000006882	0	38	-1.0	-46.10	338.42	4.13	-41.97
CCCC(NC(=O)C1=C(C)SC(C(=O)OC)=C1)C1=N[N-]N=N1	REAL000000006882	1	38	-1.0	-46.10	338.37	4.12	-41.98
CCCC(NC(=O)C1=C(C)SC(C(=O)OC)=C1)C1=NNN=N1	REAL000000006882	1	39	0.0	-10.95	342.98	4.16	-6.79
CCCC(NC(=O)C1=CN=C(C2CCOCC2)NC1=O)C1=NN=N[N-]1	REAL000000006883	0	45	-1.0	-51.80	366.46	1.56	-50.24
CCCC(NC(=O)C1=CN=C(C2CCOCC2)NC1=O)C1=N[N-]N=N1	REAL000000006883	1	45	-1.0	-51.81	366.40	1.56	-50.25
CCCC(NC(=O)C1=C2C(F)=C(Cl)C=CN2N=C1)C1=NN=N[N-]1	REAL000000006884	0	35	-1.0	-54.69	321.44	3.95	-50.74
CCCC(NC(=O)C1=C2C(F)=C(Cl)C=CN2N=C1)C1=N[N-]N=N1	REAL000000006884	1	35	-1.0	-54.69	321.38	3.95	-50.74
CCCC(NC(=O)C1=C2C(F)=C(Cl)C=CN2N=C1)C1=NNN=N1	REAL000000006884	1	36	0.0	-16.97	324.82	3.96	-13.01
CCCC(NC(=O)C1=CC2=C(S1)SC(C(=O)OC)=C2)C1=NN=N[N-]1	REAL000000006885	0	38	-1.0	-45.27	359.51	4.85	-40.42
CCCC(NC(=O)C1=CC2=C(S1)C1=CC=CC=C1NC2=O)C1=NN=N[N-]1	REAL000000006886	0	41	-1.0	-54.23	364.30	4.12	-50.12
CCCC(NC(=O)C1=CC2=C(S1)C1=CC=CC=C1NC2=O)C1=N[N-]N=N1	REAL000000006886	1	41	-1.0	-54.24	364.24	4.11	-50.13
CCCC(NC(=O)C1=CC2=C(S1)C1=CC=CC=C1NC2=O)C1=NNN=N1	REAL000000006886	1	42	0.0	-18.48	367.68	4.12	-14.35
CCCC(NC(=O)CSC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000006887	0	36	-1.0	-46.56	334.23	5.30	-41.25
CCCC(NC(=O)CSC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000006887	1	36	-1.0	-46.55	334.18	5.31	-41.25
CCCC(NC(=O)CSC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000006887	1	37	0.0	-13.24	337.61	5.31	-7.93
CCCC(NC(=O)C1=CC(COC)=CN=C1OC)C1=NN=N[N-]1	REAL000000006888	0	42	-1.0	-50.29	354.48	1.32	-48.97
CCCC(NC(=O)C1=CC(COC)=CN=C1OC)C1=N[N-]N=N1	REAL000000006888	1	42	-1.0	-50.28	354.42	1.31	-48.97
CCCC(NC(=O)C1=CC(COC)=CN=C1OC)C1=NNN=N1	REAL000000006888	1	43	0.0	-14.60	357.86	1.33	-13.26
CCCC(NC(=O)CCN1C=CC2=CC(C)=CC=C21)C1=NN=N[N-]1	REAL000000006889	0	45	-1.0	-44.08	374.56	6.97	-37.11
CCCC(NC(=O)CCN1C=CC2=CC(C)=CC=C21)C1=N[N-]N=N1	REAL000000006889	1	45	-1.0	-44.09	374.50	6.96	-37.13
CCCC(NC(=O)CCN1C=CC2=CC(C)=CC=C21)C1=NNN=N1	REAL000000006889	1	46	0.0	-11.83	377.94	6.98	-4.85
CCCC(NC(=O)C1=C(CC)C2=CC(Br)=CC=C2O1)C1=NN=N[N-]1	REAL000000006890	0	41	-1.0	-43.23	366.11	6.10	-37.12
CCCC(NC(=O)C1=C(CC)C2=CC(Br)=CC=C2O1)C1=N[N-]N=N1	REAL000000006890	1	41	-1.0	-43.23	366.05	6.10	-37.12
CCCC(NC(=O)C1=C(CC)C2=CC(Br)=CC=C2O1)C1=NNN=N1	REAL000000006890	1	42	0.0	-8.58	369.48	6.12	-2.47
CCCC(NC(=O)C=C(C)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL000000006891	0	43	-1.0	-44.91	358.30	4.97	-39.94
CCCC(NC(=O)C=C(C)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL000000006891	1	43	-1.0	-44.91	358.25	4.97	-39.94
CCCC(NC(=O)C=C(C)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000006891	1	44	0.0	-10.28	361.68	4.98	-5.30
CCCC(NC(=O)C1=CC=C2OC(C)(C)OC2=C1)C1=NN=N[N-]1	REAL000000006892	0	41	-1.0	-47.92	342.48	3.94	-43.98
CCCC(NC(=O)C1=CC=C2OC(C)(C)OC2=C1)C1=N[N-]N=N1	REAL000000006892	1	41	-1.0	-47.93	342.42	3.94	-43.99
CCCC(NC(=O)C1=CC=C2OC(C)(C)OC2=C1)C1=NNN=N1	REAL000000006892	1	42	0.0	-13.80	345.86	3.95	-9.85
CCCC(NC(=O)CC(C1=CC=C(OC)C=C1)C(F)F)C1=NN=N[N-]1	REAL000000006893	0	45	-1.0	-45.53	372.68	4.96	-40.57
CCCC(NC(=O)CC(C1=CC=C(OC)C=C1)C(F)F)C1=N[N-]N=N1	REAL000000006893	1	45	-1.0	-45.53	372.63	4.95	-40.58
CCCC(NC(=O)CC(C1=CC=C(OC)C=C1)C(F)F)C1=NNN=N1	REAL000000006893	1	46	0.0	-9.32	368.37	4.67	-4.64
CCCC(NC(=O)C1=CC(OC)=CC2=C1OCC2)C1=NN=N[N-]1	REAL000000006894	0	41	-1.0	-52.12	338.78	3.71	-48.42
CCCC(NC(=O)C1=CC(OC)=CC2=C1OCC2)C1=N[N-]N=N1	REAL000000006894	1	41	-1.0	-52.12	338.72	3.70	-48.42
CCCC(NC(=O)C1=CC(OC)=CC2=C1OCC2)C1=NNN=N1	REAL000000006894	1	42	0.0	-15.05	342.16	3.72	-11.33
CCCC(NC(=O)CCN1C=NC(C)=CC1=O)C1=NN=N[N-]1	REAL000000006895	0	40	-1.0	-55.61	340.82	3.75	-51.86
CCCC(NC(=O)CCN1C=NC(C)=CC1=O)C1=N[N-]N=N1	REAL000000006895	1	40	-1.0	-55.60	340.77	3.74	-51.86
CCCC(NC(=O)CCN1C=NC(C)=CC1=O)C1=NNN=N1	REAL000000006895	1	41	0.0	-16.68	344.20	3.76	-12.92
CCCC(NC(=O)C1=C2SC=C(C)C2=NC=N1)C1=NN=N[N-]1	REAL000000006896	0	36	-1.0	-45.30	322.96	3.65	-41.65
CCCC(NC(=O)C1=C2SC=C(C)C2=NC=N1)C1=N[N-]N=N1	REAL000000006896	1	36	-1.0	-45.30	322.90	3.65	-41.66
CCCC(NC(=O)C1=C2SC=C(C)C2=NC=N1)C1=NNN=N1	REAL000000006896	1	37	0.0	-10.63	326.34	3.66	-6.98
CCCC(NC(=O)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000006897	0	46	-1.0	-49.35	377.02	3.92	-45.43
CCCC(NC(=O)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000006897	1	46	-1.0	-49.34	376.97	3.91	-45.43
CCCC(NC(=O)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)C1=NNN=N1	REAL000000006897	1	47	0.0	-14.67	380.34	3.93	-10.74
CCCC(NC(=O)CN1C=C(NC(=O)OC(C)(C)C)C=N1)C1=NN=N[N-]1	REAL000000006898	0	49	-1.0	-60.78	400.90	1.91	-58.88
CCCC(NC(=O)CN1C=C(NC(=O)OC(C)(C)C)C=N1)C1=N[N-]N=N1	REAL000000006898	1	49	-1.0	-60.79	400.85	1.90	-58.89
CCCC(NC(=O)CN1C=C(NC(=O)OC(C)(C)C)C=N1)C1=NNN=N1	REAL000000006898	1	50	0.0	-21.35	404.29	1.91	-19.43
CCCC(NC(=O)CO[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000006899	0	53	-1.0	-50.54	424.24	4.16	-46.38
CCCC(NC(=O)CO[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000006899	1	53	-1.0	-50.53	424.19	4.15	-46.38
CCCC(NC(=O)CO[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006899	1	54	0.0	-18.25	427.51	4.19	-14.07
CCCC(NC(=O)C=CC(C)(C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006900	0	52	-1.0	-45.28	408.03	3.06	-42.21
CCCC(NC(=O)C=CC(C)(C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006900	1	52	-1.0	-45.27	407.97	3.07	-42.21
CCCC(NC(=O)C=CC(C)(C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006900	1	53	0.0	-11.66	411.40	3.07	-8.58
CCCC(NC(=O)C(CC1=CC=CS1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006901	0	52	-1.0	-41.93	420.50	3.67	-38.26
CCCC(NC(=O)C(CC1=CC=CS1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006901	1	52	-1.0	-41.94	420.44	3.67	-38.26
CCCC(NC(=O)C(CC1=CC=CS1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006901	1	53	0.0	-8.02	416.65	3.36	-4.66
CCCC(NC(=O)CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000006902	0	55	-1.0	-48.73	434.65	3.97	-44.76
CCCC(NC(=O)CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000006902	1	55	-1.0	-48.72	434.59	3.97	-44.75
CCCC(NC(=O)CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006902	1	56	0.0	-13.64	438.03	3.98	-9.67
CCCC(NC(=O)CCOCCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006903	0	52	-1.0	-47.06	420.94	1.23	-45.83
CCCC(NC(=O)CCOCCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006903	1	52	-1.0	-47.05	420.88	1.23	-45.82
CCCC(NC(=O)CCOCCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006903	1	53	0.0	-13.54	424.31	1.24	-12.31
CCCC(NC(=O)CC1=NN=C2COCCN12)C1=NN=N[N-]1	REAL000000006904	0	39	-1.0	-49.97	328.02	1.79	-48.19
CCCC(NC(=O)CC1=NN=C2COCCN12)C1=N[N-]N=N1	REAL000000006904	1	39	-1.0	-49.98	327.96	1.78	-48.19
CCCC(NC(=O)CC1=NN=C2COCCN12)C1=NNN=N1	REAL000000006904	1	40	0.0	-21.90	331.40	1.79	-20.11
CCCC(NC(=O)C1=CC(OC)=C(OC)C(OC)=C1N)C1=NN=N[N-]1	REAL000000006905	0	46	-1.0	-44.46	379.56	1.24	-43.22
CCCC(NC(=O)C1=CC(OC)=C(OC)C(OC)=C1N)C1=N[N-]N=N1	REAL000000006905	1	46	-1.0	-44.45	379.50	1.23	-43.22
CCCC(NC(=O)C1=CC(OC)=C(OC)C(OC)=C1N)C1=NNN=N1	REAL000000006905	1	47	0.0	-11.90	382.94	1.25	-10.65
CCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1N)C1=NN=N[N-]1	REAL000000006906	0	34	-1.0	-40.39	315.25	2.97	-37.42
CCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1N)C1=N[N-]N=N1	REAL000000006906	1	34	-1.0	-40.40	315.19	2.96	-37.43
CCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1N)C1=NNN=N1	REAL000000006906	1	35	0.0	-7.66	319.52	2.97	-4.69
CCCC(NC(=O)C1=CC(Br)=CC=C1N)C1=NN=N[N-]1	REAL000000006907	0	34	-1.0	-42.47	305.43	2.49	-39.98
CCCC(NC(=O)C1=CC(Br)=CC=C1N)C1=N[N-]N=N1	REAL000000006907	1	34	-1.0	-42.47	305.37	2.49	-39.98
CCCC(NC(=O)C1=CC(Br)=CC=C1N)C1=NNN=N1	REAL000000006907	1	35	0.0	-8.21	308.80	2.50	-5.71
CCCC(NC(=O)C1=CC(I)=CC=C1N)C1=NN=N[N-]1	REAL000000006908	0	34	-1.0	-42.23	311.91	2.97	-39.26
CCCC(NC(=O)C1=CC(I)=CC=C1N)C1=N[N-]N=N1	REAL000000006908	1	34	-1.0	-42.23	311.86	2.96	-39.27
CCCC(NC(=O)C1=CC(I)=CC=C1N)C1=NNN=N1	REAL000000006908	1	35	0.0	-7.96	315.29	2.98	-4.98
CCCC(NC(=O)C1=CC=CC(C(F)(F)F)=C1N)C1=NN=N[N-]1	REAL000000006909	0	37	-1.0	-44.24	319.29	3.02	-41.22
CCCC(NC(=O)C1=CC=CC(C(F)(F)F)=C1N)C1=N[N-]N=N1	REAL000000006909	1	37	-1.0	-44.23	319.23	3.03	-41.21
CCCC(NC(=O)C1=CC=CC(C(F)(F)F)=C1N)C1=NNN=N1	REAL000000006909	1	38	0.0	-10.48	322.66	3.03	-7.45
CCCC(NC(=O)C1=CC(C)=CC(Br)=C1N)C1=NN=N[N-]1	REAL000000006910	0	37	-1.0	-43.31	324.95	3.23	-40.08
CCCC(NC(=O)C1=CC(C)=CC(Br)=C1N)C1=N[N-]N=N1	REAL000000006910	1	37	-1.0	-43.30	324.89	3.23	-40.07
CCCC(NC(=O)C1=CC(C)=CC(Br)=C1N)C1=NNN=N1	REAL000000006910	1	38	0.0	-9.12	327.40	3.26	-5.86
CCCC(NC(=O)C1=CC(F)=CC(Br)=C1N)C1=NN=N[N-]1	REAL000000006911	0	34	-1.0	-40.39	309.03	2.64	-37.75
CCCC(NC(=O)C1=CC(F)=CC(Br)=C1N)C1=N[N-]N=N1	REAL000000006911	1	34	-1.0	-40.39	308.97	2.63	-37.76
CCCC(NC(=O)C1=CC(F)=CC(Br)=C1N)C1=NNN=N1	REAL000000006911	1	35	0.0	-7.89	313.34	2.64	-5.25
CCCC(NC(=O)C1=CC=CC(Br)=C1N)C1=NN=N[N-]1	REAL000000006912	0	34	-1.0	-43.80	303.55	2.56	-41.24
CCCC(NC(=O)C1=CC=CC(Br)=C1N)C1=N[N-]N=N1	REAL000000006912	1	34	-1.0	-43.79	303.49	2.56	-41.23
CCCC(NC(=O)C1=CC=CC(Br)=C1N)C1=NNN=N1	REAL000000006912	1	35	0.0	-6.66	299.78	2.24	-4.41
CCCC(NC(=O)C1=CC=C(Cl)C(Cl)=C1N)C1=NN=N[N-]1	REAL000000006913	0	34	-1.0	-41.84	313.66	2.92	-38.92
CCCC(NC(=O)C1=CC=C(Cl)C(Cl)=C1N)C1=N[N-]N=N1	REAL000000006913	1	34	-1.0	-41.83	313.60	2.92	-38.91
CCCC(NC(=O)C1=CC=C(Cl)C(Cl)=C1N)C1=NNN=N1	REAL000000006913	1	35	0.0	-9.35	317.03	2.93	-6.42
CCCC(NC(=O)C1=CC=CC(I)=C1N)C1=NN=N[N-]1	REAL000000006914	0	34	-1.0	-43.50	309.53	3.05	-40.46
CCCC(NC(=O)C1=CC=CC(I)=C1N)C1=N[N-]N=N1	REAL000000006914	1	34	-1.0	-43.50	309.47	3.04	-40.46
CCCC(NC(=O)C1=CC=CC(I)=C1N)C1=NNN=N1	REAL000000006914	1	35	0.0	-6.42	305.74	2.72	-3.70
CCCC(NC(=O)C1=CC(Br)=CC(F)=C1N)C1=NN=N[N-]1	REAL000000006915	0	34	-1.0	-40.52	310.89	2.58	-37.94
CCCC(NC(=O)C1=CC(Br)=CC(F)=C1N)C1=N[N-]N=N1	REAL000000006915	1	34	-1.0	-40.51	310.83	2.58	-37.93
CCCC(NC(=O)C1=CC(Br)=CC(F)=C1N)C1=NNN=N1	REAL000000006915	1	35	0.0	-8.03	315.06	2.58	-5.44
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC=C1N)C1=NN=N[N-]1	REAL000000006916	0	37	-1.0	-42.93	323.72	2.88	-40.05
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC=C1N)C1=N[N-]N=N1	REAL000000006916	1	37	-1.0	-42.93	323.66	2.87	-40.06
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC=C1N)C1=NNN=N1	REAL000000006916	1	38	0.0	-8.75	327.09	2.88	-5.87
CCCC(NC(=O)C1=CC(Br)=CC(C)=C1N)C1=NN=N[N-]1	REAL000000006917	0	37	-1.0	-42.51	323.32	3.27	-39.24
CCCC(NC(=O)C1=CC(Br)=CC(C)=C1N)C1=N[N-]N=N1	REAL000000006917	1	37	-1.0	-42.50	323.26	3.26	-39.24
CCCC(NC(=O)C1=CC(Br)=CC(C)=C1N)C1=NNN=N1	REAL000000006917	1	38	0.0	-8.13	326.70	3.28	-4.85
CCCC(NC(=O)C1=CC(Br)=C(F)C=C1N)C1=NN=N[N-]1	REAL000000006918	0	34	-1.0	-40.32	311.10	2.54	-37.78
CCCC(NC(=O)C1=CC(Br)=C(F)C=C1N)C1=N[N-]N=N1	REAL000000006918	1	34	-1.0	-40.31	311.04	2.54	-37.77
CCCC(NC(=O)C1=CC(Br)=C(F)C=C1N)C1=NNN=N1	REAL000000006918	1	35	0.0	-8.24	315.04	2.54	-5.70
CCCC(NC(=O)C1=CC(Cl)=CC(C)=C1N)C1=NN=N[N-]1	REAL000000006919	0	37	-1.0	-42.66	318.76	3.16	-39.50
CCCC(NC(=O)C1=CC(Cl)=CC(C)=C1N)C1=N[N-]N=N1	REAL000000006919	1	37	-1.0	-42.66	318.70	3.16	-39.49
CCCC(NC(=O)C1=CC(Cl)=CC(C)=C1N)C1=NNN=N1	REAL000000006919	1	38	0.0	-8.23	322.14	3.17	-5.05
CCCC(NC(=O)C1=CC(C)=CC(Cl)=C1N)C1=NN=N[N-]1	REAL000000006920	0	37	-1.0	-43.39	320.81	3.12	-40.27
CCCC(NC(=O)C1=CC(C)=CC(Cl)=C1N)C1=N[N-]N=N1	REAL000000006920	1	37	-1.0	-43.39	320.75	3.11	-40.29
CCCC(NC(=O)C1=CC(C)=CC(Cl)=C1N)C1=NNN=N1	REAL000000006920	1	38	0.0	-9.14	323.30	3.13	-6.01
CCCC(NC(=O)C1=CC(Cl)=C(F)C=C1N)C1=NN=N[N-]1	REAL000000006921	0	34	-1.0	-40.40	306.69	2.45	-37.95
CCCC(NC(=O)C1=CC(Cl)=C(F)C=C1N)C1=N[N-]N=N1	REAL000000006921	1	34	-1.0	-40.39	306.63	2.44	-37.95
CCCC(NC(=O)C1=CC(Cl)=C(F)C=C1N)C1=NNN=N1	REAL000000006921	1	35	0.0	-8.34	310.64	2.45	-5.88
CCCC(NC(=O)C1=CC(Cl)=CC(Br)=C1N)C1=NN=N[N-]1	REAL000000006922	0	34	-1.0	-40.34	319.34	3.09	-37.26
CCCC(NC(=O)C1=CC(Cl)=CC(Br)=C1N)C1=N[N-]N=N1	REAL000000006922	1	34	-1.0	-40.34	319.29	3.09	-37.25
CCCC(NC(=O)C1=CC(Cl)=CC(Br)=C1N)C1=NNN=N1	REAL000000006922	1	35	0.0	-7.63	323.65	3.08	-4.55
CCCC(NC(=O)C1=CC(N2C=C(C)C=N2)=C(F)C=C1N)C1=NN=N[N-]1	REAL000000006923	0	44	-1.0	-45.20	368.22	3.72	-41.48
CCCC(NC(=O)C1=CC(N2C=C(C)C=N2)=C(F)C=C1N)C1=N[N-]N=N1	REAL000000006923	1	44	-1.0	-45.20	368.16	3.71	-41.49
CCCC(NC(=O)C1=CC(N2C=C(C)C=N2)=C(F)C=C1N)C1=NNN=N1	REAL000000006923	1	45	0.0	-10.46	371.59	3.73	-6.73
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=C(OC)C=C1N)C1=NN=N[N-]1	REAL000000006924	0	44	-1.0	-53.42	371.21	-0.73	-54.14
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=C(OC)C=C1N)C1=N[N-]N=N1	REAL000000006924	1	44	-1.0	-53.42	371.15	-0.74	-54.16
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=C(OC)C=C1N)C1=NNN=N1	REAL000000006924	1	45	0.0	-16.65	375.20	-0.72	-17.37
CCCC(NC(=O)C1=CC=C(Br)C(C)=C1N)C1=NN=N[N-]1	REAL000000006925	0	37	-1.0	-42.42	320.08	3.17	-39.25
CCCC(NC(=O)C1=CC=C(Br)C(C)=C1N)C1=N[N-]N=N1	REAL000000006925	1	37	-1.0	-42.42	320.02	3.17	-39.25
CCCC(NC(=O)C1=CC=C(Br)C(C)=C1N)C1=NNN=N1	REAL000000006925	1	38	0.0	-8.69	323.46	3.18	-5.51
CCCC(NC(=O)C1=CC=C(C)C(Cl)=C1N)C1=NN=N[N-]1	REAL000000006926	0	37	-1.0	-44.22	317.20	3.04	-41.18
CCCC(NC(=O)C1=CC=C(C)C(Cl)=C1N)C1=N[N-]N=N1	REAL000000006926	1	37	-1.0	-44.22	317.14	3.04	-41.17
CCCC(NC(=O)C1=CC=C(C)C(Cl)=C1N)C1=NNN=N1	REAL000000006926	1	38	0.0	-9.84	321.51	3.04	-6.80
CCCC(NC(=O)C1=CC(F)=CC(Cl)=C1N)C1=NN=N[N-]1	REAL000000006927	0	34	-1.0	-40.45	304.93	2.52	-37.93
CCCC(NC(=O)C1=CC(F)=CC(Cl)=C1N)C1=N[N-]N=N1	REAL000000006927	1	34	-1.0	-40.44	304.87	2.52	-37.92
CCCC(NC(=O)C1=CC(F)=CC(Cl)=C1N)C1=NNN=N1	REAL000000006927	1	35	0.0	-7.90	309.20	2.52	-5.38
CCCC(NC(=O)C1=CC=C(OC)C(F)=C1N)C1=NN=N[N-]1	REAL000000006928	0	38	-1.0	-46.20	318.78	1.30	-44.90
CCCC(NC(=O)C1=CC=C(OC)C(F)=C1N)C1=N[N-]N=N1	REAL000000006928	1	38	-1.0	-46.19	318.72	1.29	-44.90
CCCC(NC(=O)C1=CC=C(OC)C(F)=C1N)C1=NNN=N1	REAL000000006928	1	39	0.0	-12.73	322.15	1.31	-11.42
CCCC(NC(=O)C1=CC(F)=C(OC)C(F)=C1N)C1=NN=N[N-]1	REAL000000006929	0	38	-1.0	-40.69	329.85	1.47	-39.22
CCCC(NC(=O)C1=CC(F)=C(OC)C(F)=C1N)C1=N[N-]N=N1	REAL000000006929	1	38	-1.0	-40.68	329.79	1.46	-39.22
CCCC(NC(=O)C1=CC(F)=C(OC)C(F)=C1N)C1=NNN=N1	REAL000000006929	1	39	0.0	-10.02	333.20	1.48	-8.54
CCCC(NC(=O)C1=CC(Br)=CC(N)=C1N)C1=NN=N[N-]1	REAL000000006930	0	36	-1.0	-43.05	317.22	0.64	-42.41
CCCC(NC(=O)C1=CC(Br)=CC(N)=C1N)C1=N[N-]N=N1	REAL000000006930	1	36	-1.0	-43.04	317.17	0.63	-42.42
CCCC(NC(=O)C1=CC(Br)=CC(N)=C1N)C1=NNN=N1	REAL000000006930	1	37	0.0	-8.68	320.60	0.65	-8.04
CCCC(NC(=O)C1=CC(Cl)=C(Cl)C=C1N)C1=NN=N[N-]1	REAL000000006931	0	34	-1.0	-40.41	316.00	2.85	-37.57
CCCC(NC(=O)C1=CC(Cl)=C(Cl)C=C1N)C1=N[N-]N=N1	REAL000000006931	1	34	-1.0	-40.41	315.94	2.85	-37.56
CCCC(NC(=O)C1=CC(Cl)=C(Cl)C=C1N)C1=NNN=N1	REAL000000006931	1	35	0.0	-8.04	319.98	2.85	-5.19
CCCC(NC(=O)C1=CC(F)=C(Br)C=C1N)C1=NN=N[N-]1	REAL000000006932	0	34	-1.0	-40.47	311.11	2.54	-37.94
CCCC(NC(=O)C1=CC(F)=C(Br)C=C1N)C1=N[N-]N=N1	REAL000000006932	1	34	-1.0	-40.47	311.05	2.54	-37.93
CCCC(NC(=O)C1=CC(F)=C(Br)C=C1N)C1=NNN=N1	REAL000000006932	1	35	0.0	-8.40	315.09	2.54	-5.86
CCCC(NC(=O)C1=CC(OC)=CC(Br)=C1N)C1=NN=N[N-]1	REAL000000006933	0	38	-1.0	-42.90	332.07	1.87	-41.03
CCCC(NC(=O)C1=CC(OC)=CC(Br)=C1N)C1=N[N-]N=N1	REAL000000006933	1	38	-1.0	-42.89	332.01	1.87	-41.02
CCCC(NC(=O)C1=CC(OC)=CC(Br)=C1N)C1=NNN=N1	REAL000000006933	1	39	0.0	-6.47	329.21	1.54	-4.93
CCCC(NC(=O)C1=CC=C(Cl)C(F)=C1N)C1=NN=N[N-]1	REAL000000006934	0	34	-1.0	-42.31	305.75	2.47	-39.84
CCCC(NC(=O)C1=CC=C(Cl)C(F)=C1N)C1=N[N-]N=N1	REAL000000006934	1	34	-1.0	-42.30	305.69	2.46	-39.84
CCCC(NC(=O)C1=CC=C(Cl)C(F)=C1N)C1=NNN=N1	REAL000000006934	1	35	0.0	-10.08	309.13	2.48	-7.60
CCCC(NC(=O)C1=CC(Br)=C(OC)C=C1N)C1=NN=N[N-]1	REAL000000006935	0	38	-1.0	-43.74	334.51	1.86	-41.88
CCCC(NC(=O)C1=CC(Br)=C(OC)C=C1N)C1=N[N-]N=N1	REAL000000006935	1	38	-1.0	-43.74	334.45	1.86	-41.88
CCCC(NC(=O)C1=CC(Br)=C(OC)C=C1N)C1=NNN=N1	REAL000000006935	1	39	0.0	-9.63	337.28	1.88	-7.76
CCCC(NC(=O)C1=CC=C(Br)C(F)=C1N)C1=NN=N[N-]1	REAL000000006936	0	34	-1.0	-42.13	310.16	2.57	-39.56
CCCC(NC(=O)C1=CC=C(Br)C(F)=C1N)C1=N[N-]N=N1	REAL000000006936	1	34	-1.0	-42.12	310.10	2.56	-39.56
CCCC(NC(=O)C1=CC=C(Br)C(F)=C1N)C1=NNN=N1	REAL000000006936	1	35	0.0	-9.94	313.54	2.58	-7.36
CCCC(NC(=O)C1=C(OC)C=C(OC)C(Cl)=C1N)C1=NN=N[N-]1	REAL000000006937	0	42	-1.0	-46.80	363.62	0.69	-46.11
CCCC(NC(=O)C1=C(OC)C=C(OC)C(Cl)=C1N)C1=N[N-]N=N1	REAL000000006937	1	42	-1.0	-46.80	363.56	0.68	-46.12
CCCC(NC(=O)C1=C(OC)C=C(OC)C(Cl)=C1N)C1=NNN=N1	REAL000000006937	1	43	0.0	-11.98	367.00	0.71	-11.27
CCCC(NC(=O)C1=CC=C(Br)C(Cl)=N1)C1=NN=N[N-]1	REAL000000006938	0	31	-1.0	-41.95	307.87	2.91	-39.05
CCCC(NC(=O)C1=CC=C(Br)C(Cl)=N1)C1=N[N-]N=N1	REAL000000006938	1	31	-1.0	-41.95	307.81	2.90	-39.06
CCCC(NC(=O)C1=CC=C(Br)C(Cl)=N1)C1=NNN=N1	REAL000000006938	1	32	0.0	-8.05	311.24	2.91	-5.14
CCCC(NC(=O)[C@H](CO)NS(=O)(=O)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL000000006939	0	47	-1.0	-50.32	403.58	-1.94	-52.26
CCCC(NC(=O)[C@H](CO)NS(=O)(=O)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL000000006939	1	47	-1.0	-50.31	403.53	-1.94	-52.26
CCCC(NC(=O)[C@H](CO)NS(=O)(=O)C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000006939	1	48	0.0	-15.28	399.78	-2.26	-17.55
CCCC(NC(=O)CCC1=C(Br)SC=C1)C1=NN=N[N-]1	REAL000000006940	0	35	-1.0	-45.86	329.48	4.71	-41.15
CCCC(NC(=O)CCC1=C(Br)SC=C1)C1=N[N-]N=N1	REAL000000006940	1	35	-1.0	-45.86	329.42	4.70	-41.16
CCCC(NC(=O)CCC1=C(Br)SC=C1)C1=NNN=N1	REAL000000006940	1	36	0.0	-9.46	332.78	4.71	-4.75
CCCC(NC(=O)C1=CN(C)C=C(Br)C1=O)C1=NN=N[N-]1	REAL000000006941	0	35	-1.0	-58.50	319.34	3.75	-54.75
CCCC(NC(=O)C1=CN(C)C=C(Br)C1=O)C1=N[N-]N=N1	REAL000000006941	1	35	-1.0	-58.50	319.28	3.75	-54.76
CCCC(NC(=O)C1=CN(C)C=C(Br)C1=O)C1=NNN=N1	REAL000000006941	1	36	0.0	-18.17	322.57	3.76	-14.41
CCCC(NC(=O)CC1CC(OC(C)(C)C)C1(C)C)C1=NN=N[N-]1	REAL000000006942	0	54	-1.0	-48.34	412.18	5.70	-42.64
CCCC(NC(=O)CC1CC(OC(C)(C)C)C1(C)C)C1=N[N-]N=N1	REAL000000006942	1	54	-1.0	-48.34	412.12	5.69	-42.65
CCCC(NC(=O)CC1CC(OC(C)(C)C)C1(C)C)C1=NNN=N1	REAL000000006942	1	55	0.0	-11.85	415.55	5.71	-6.15
CCCC(NC(=O)C1=NN=C2C(Br)=CC=CN12)C1=NN=N[N-]1	REAL000000006943	0	34	-1.0	-47.45	318.13	4.49	-42.96
CCCC(NC(=O)C1=NN=C2C(Br)=CC=CN12)C1=N[N-]N=N1	REAL000000006943	1	34	-1.0	-47.45	318.07	4.48	-42.96
CCCC(NC(=O)C1=NN=C2C(Br)=CC=CN12)C1=NNN=N1	REAL000000006943	1	35	0.0	-14.06	321.51	4.50	-9.56
CCCC(NC(=O)C1CC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL000000006944	0	40	-1.0	-43.86	334.57	2.60	-41.27
CCCC(NC(=O)C1CC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL000000006944	1	40	-1.0	-43.86	334.51	2.60	-41.26
CCCC(NC(=O)C1CC2=CC=CC=C2NC1=O)C1=NNN=N1	REAL000000006944	1	41	0.0	-9.16	330.77	2.29	-6.88
CCCC(NC(=O)C1=C(C)C2=CC(F)=CC=C2N1)C1=NN=N[N-]1	REAL000000006945	0	39	-1.0	-44.76	332.13	4.33	-40.43
CCCC(NC(=O)C1=C(C)C2=CC(F)=CC=C2N1)C1=N[N-]N=N1	REAL000000006945	1	39	-1.0	-44.75	332.07	4.33	-40.42
CCCC(NC(=O)C1=C(C)C2=CC(F)=CC=C2N1)C1=NNN=N1	REAL000000006945	1	40	0.0	-11.49	335.51	4.34	-7.15
CCCC(NC(=O)C(C)=CC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL000000006946	0	39	-1.0	-45.08	334.23	5.55	-39.54
CCCC(NC(=O)C(C)=CC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL000000006946	1	39	-1.0	-45.08	334.17	5.55	-39.53
CCCC(NC(=O)C(C)=CC1=CC=C(F)C(F)=C1)C1=NNN=N1	REAL000000006946	1	40	0.0	-12.32	337.62	5.56	-6.76
CCCC(NC(=O)C=CCOC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000006947	0	40	-1.0	-47.80	342.11	4.55	-43.25
CCCC(NC(=O)C=CCOC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000006947	1	40	-1.0	-47.80	342.05	4.55	-43.25
CCCC(NC(=O)C=CCOC1=CC=CC=C1)C1=NNN=N1	REAL000000006947	1	41	0.0	-9.98	338.28	4.23	-5.74
CCCC(NC(=O)C1=C(C)C2=CC(OC(F)(F)F)=CC=C2N1)C1=NN=N[N-]1	REAL000000006948	0	43	-1.0	-43.67	371.74	4.05	-39.63
CCCC(NC(=O)C1=C(C)C2=CC(OC(F)(F)F)=CC=C2N1)C1=N[N-]N=N1	REAL000000006948	1	43	-1.0	-43.67	371.68	4.04	-39.64
CCCC(NC(=O)C1=C(C)C2=CC(OC(F)(F)F)=CC=C2N1)C1=NNN=N1	REAL000000006948	1	44	0.0	-7.77	367.93	3.72	-4.05
CCCC(NC(=O)C1CC2CC(O)CC(C2)C1)C1=NN=N[N-]1	REAL000000006949	0	46	-1.0	-49.78	344.71	2.30	-47.48
CCCC(NC(=O)C1CC2CC(O)CC(C2)C1)C1=N[N-]N=N1	REAL000000006949	1	46	-1.0	-49.78	344.65	2.30	-47.47
CCCC(NC(=O)C1CC2CC(O)CC(C2)C1)C1=NNN=N1	REAL000000006949	1	47	0.0	-8.47	337.28	2.12	-6.36
CCCC(NC(=O)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1)C1=NN=N[N-]1	REAL000000006950	0	42	-2.0	-83.15	377.34	4.36	-78.80
CCCC(NC(=O)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1)C1=N[N-]N=N1	REAL000000006950	1	42	-2.0	-83.15	377.28	4.35	-78.80
CCCC(NC(=O)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1)C1=NNN=N1	REAL000000006950	1	43	-1.0	-36.58	373.53	4.03	-32.54
CCCC(NC(=O)C1=CC2=C(N1)SC(Br)=N2)C1=NN=N[N-]1	REAL000000006951	0	32	-1.0	-44.23	314.82	1.37	-42.86
CCCC(NC(=O)C1=CC2=C(N1)SC(Br)=N2)C1=N[N-]N=N1	REAL000000006951	1	32	-1.0	-44.22	314.76	1.36	-42.86
CCCC(NC(=O)C1=CC2=C(N1)SC(Br)=N2)C1=NNN=N1	REAL000000006951	1	33	0.0	-12.19	318.20	1.37	-10.82
CCCC(NC(=O)C1=CC(C2=CC=NC=C2)=NN1)C1=NN=N[N-]1	REAL000000006952	0	38	-1.0	-44.53	331.03	1.91	-42.62
CCCC(NC(=O)C1=CC(C2=CC=NC=C2)=NN1)C1=N[N-]N=N1	REAL000000006952	1	38	-1.0	-44.52	330.97	1.90	-42.61
CCCC(NC(=O)C1=CC(C2=CC=NC=C2)=NN1)C1=NNN=N1	REAL000000006952	1	39	0.0	-12.92	334.40	1.92	-11.00
CCCC(NC(=O)C1=C(Br)SN=C1C)C1=NN=N[N-]1	REAL000000006953	0	31	-1.0	-40.49	304.53	2.39	-38.11
CCCC(NC(=O)C1=C(Br)SN=C1C)C1=N[N-]N=N1	REAL000000006953	1	31	-1.0	-40.48	304.47	2.38	-38.10
CCCC(NC(=O)C1=C(Br)SN=C1C)C1=NNN=N1	REAL000000006953	1	32	0.0	-9.03	307.90	2.40	-6.63
CCCC(NC(=O)C1CCC2=NC(C)=CN2C1)C1=NN=N[N-]1	REAL000000006954	0	42	-1.0	-45.44	340.96	4.39	-41.06
CCCC(NC(=O)C1CCC2=NC(C)=CN2C1)C1=N[N-]N=N1	REAL000000006954	1	42	-1.0	-45.44	340.90	4.39	-41.05
CCCC(NC(=O)C1CCC2=NC(C)=CN2C1)C1=NNN=N1	REAL000000006954	1	43	0.0	-13.95	344.34	4.39	-9.55
CCCC(NC(=O)C1=CN2N=C(Cl)N=C2C=C1)C1=NN=N[N-]1	REAL000000006955	0	34	-1.0	-45.71	313.28	3.84	-41.87
CCCC(NC(=O)C1=CN2N=C(Cl)N=C2C=C1)C1=N[N-]N=N1	REAL000000006955	1	34	-1.0	-45.71	313.22	3.84	-41.86
CCCC(NC(=O)C1=CN2N=C(Cl)N=C2C=C1)C1=NNN=N1	REAL000000006955	1	35	0.0	-12.24	309.46	3.53	-8.71
CCCC(NC(=O)C1=CC(OC)=CC(C(=O)OC)=C1Cl)C1=NN=N[N-]1	REAL000000006956	0	42	-1.0	-50.86	366.85	4.01	-46.85
CCCC(NC(=O)C1=CC(OC)=CC(C(=O)OC)=C1Cl)C1=N[N-]N=N1	REAL000000006956	1	42	-1.0	-50.86	366.79	4.01	-46.85
CCCC(NC(=O)C1=CC(OC)=CC(C(=O)OC)=C1Cl)C1=NNN=N1	REAL000000006956	1	43	0.0	-12.08	363.05	3.69	-8.39
CCCC(NC(=O)C1=CN=CC(Br)=C1N)C1=NN=N[N-]1	REAL000000006957	0	33	-1.0	-41.41	298.60	0.76	-40.64
CCCC(NC(=O)C1=CN=CC(Br)=C1N)C1=N[N-]N=N1	REAL000000006957	1	33	-1.0	-41.40	298.54	0.75	-40.65
CCCC(NC(=O)C1=CN=CC(Br)=C1N)C1=NNN=N1	REAL000000006957	1	34	0.0	-8.82	302.01	0.76	-8.06
CCCC(NC(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1=NN=N[N-]1	REAL000000006958	0	42	0.0	-74.84	334.54	1.78	-73.06
CCCC(NC(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1=N[N-]N=N1	REAL000000006958	1	42	0.0	-74.83	334.49	1.78	-73.06
CCCC(NC(=O)CCN1CCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000006959	0	47	-1.0	-47.51	369.07	4.94	-42.57
CCCC(NC(=O)CCN1CCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000006959	1	47	-1.0	-47.50	369.02	4.93	-42.57
CCCC(NC(=O)CCN1CCCC2=CC=CC=C21)C1=NNN=N1	REAL000000006959	1	48	0.0	-11.64	372.45	4.95	-6.70
CCCC(NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006960	0	49	-1.0	-50.15	396.51	-0.48	-50.63
CCCC(NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006960	1	49	-1.0	-50.15	396.45	-0.49	-50.63
CCCC(NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006960	1	50	0.0	-12.73	392.72	-0.87	-13.60
CCCC(NC(=O)C1=CC2=C(S1)SC(S(N)(=O)=O)=C2)C1=NN=N[N-]1	REAL000000006961	0	37	-1.0	-49.45	359.96	-0.88	-50.33
CCCC(NC(=O)C1CC2(C1)C(C(=O)OC)C2(F)F)C1=NN=N[N-]1	REAL000000006962	0	42	-1.0	-45.23	362.57	4.79	-40.44
CCCC(NC(=O)C1CC2(C1)C(C(=O)OC)C2(F)F)C1=N[N-]N=N1	REAL000000006962	1	42	-1.0	-45.23	362.51	4.79	-40.43
CCCC(NC(=O)C1CC2(C1)C(C(=O)OC)C2(F)F)C1=NNN=N1	REAL000000006962	1	43	0.0	-13.26	365.53	4.76	-8.50
CCCC(NC(=O)C(O)CC1=CC=NC=C1Br)C1=NN=N[N-]1	REAL000000006963	0	38	-1.0	-42.45	342.22	1.71	-40.74
CCCC(NC(=O)C(O)CC1=CC=NC=C1Br)C1=N[N-]N=N1	REAL000000006963	1	38	-1.0	-42.44	342.16	1.70	-40.75
CCCC(NC(=O)C(O)CC1=CC=NC=C1Br)C1=NNN=N1	REAL000000006963	1	39	0.0	-12.46	345.60	1.72	-10.74
CCCC(NC(=O)[C@H]1C[C@]1(Cl)C(=O)OC)C1=NN=N[N-]1	REAL000000006964	0	35	-1.0	-44.20	317.27	3.33	-40.88
CCCC(NC(=O)[C@H]1C[C@]1(Cl)C(=O)OC)C1=N[N-]N=N1	REAL000000006964	1	35	-1.0	-44.21	317.21	3.32	-40.89
CCCC(NC(=O)[C@H]1C[C@]1(Cl)C(=O)OC)C1=NNN=N1	REAL000000006964	1	36	0.0	-11.28	320.66	3.34	-7.94
CCCC(NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006965	0	49	-1.0	-49.79	396.77	-0.20	-49.99
CCCC(NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006965	1	49	-1.0	-49.79	396.71	-0.20	-49.99
CCCC(NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006965	1	50	0.0	-12.45	392.98	-0.62	-13.07
CCCC(NC(=O)C1=CC=C(Br)C(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL000000006966	0	34	-1.0	-42.10	327.44	3.42	-38.68
CCCC(NC(=O)C1=CC=C(Br)C(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL000000006966	1	34	-1.0	-42.10	327.39	3.41	-38.69
CCCC(NC(=O)C1=CC=C(Br)C(C(F)(F)F)=N1)C1=NNN=N1	REAL000000006966	1	35	0.0	-8.65	330.82	3.43	-5.22
CCCC(NC(=O)C1CC2(CCN2C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000006967	0	53	-1.0	-44.15	415.21	4.46	-39.69
CCCC(NC(=O)C1CC2(CCN2C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000006967	1	53	-1.0	-44.15	415.15	4.45	-39.70
CCCC(NC(=O)C1CC2(CCN2C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006967	1	54	0.0	-11.19	418.58	4.47	-6.72
CCCC(NC(=O)C1=NOC(C)=C1I)C1=NN=N[N-]1	REAL000000006968	0	31	-1.0	-43.88	299.72	2.81	-41.07
CCCC(NC(=O)C1=NOC(C)=C1I)C1=N[N-]N=N1	REAL000000006968	1	31	-1.0	-43.87	299.66	2.80	-41.08
CCCC(NC(=O)C1=NOC(C)=C1I)C1=NNN=N1	REAL000000006968	1	32	0.0	-9.16	303.60	2.83	-6.33
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)O1)C1=NN=N[N-]1	REAL000000006969	0	47	-1.0	-52.39	382.11	3.83	-48.57
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)O1)C1=N[N-]N=N1	REAL000000006969	1	47	-1.0	-52.39	382.05	3.82	-48.57
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)O1)C1=NNN=N1	REAL000000006969	1	48	0.0	-14.52	378.29	3.42	-11.10
CCCC(NC(=O)C(F)=CCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000006970	0	46	-1.0	-43.36	382.82	1.77	-41.59
CCCC(NC(=O)C(F)=CCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000006970	1	46	-1.0	-43.36	382.76	1.76	-41.60
CCCC(NC(=O)C(F)=CCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006970	1	47	0.0	-10.93	386.20	1.77	-9.16
CCCC(NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C1=NN=N[N-]1	REAL000000006971	0	53	-1.0	-56.02	420.07	1.03	-54.99
CCCC(NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C1=N[N-]N=N1	REAL000000006971	1	53	-1.0	-56.01	420.01	1.03	-54.98
CCCC(NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C1=NNN=N1	REAL000000006971	1	54	0.0	-17.44	423.45	1.04	-16.40
CCCC(NC(=O)C1CC2(CCN2C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000006972	0	53	-1.0	-44.15	415.21	4.46	-39.69
CCCC(NC(=O)C1CC2(CCN2C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000006972	1	53	-1.0	-44.15	415.15	4.45	-39.70
CCCC(NC(=O)C1CC2(CCN2C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006972	1	54	0.0	-11.19	418.58	4.47	-6.72
CCCC(NC(=O)C1=CC=C(C(CF)(OC)OC)C=C1)C1=NN=N[N-]1	REAL000000006973	0	46	-1.0	-47.53	376.15	4.14	-43.39
CCCC(NC(=O)C1=CC=C(C(CF)(OC)OC)C=C1)C1=N[N-]N=N1	REAL000000006973	1	46	-1.0	-47.52	376.10	4.13	-43.39
CCCC(NC(=O)C1=CC=C(C(CF)(OC)OC)C=C1)C1=NNN=N1	REAL000000006973	1	47	0.0	-12.74	379.53	4.15	-8.59
CCCC(NC(=O)C(F)(F)CCC(=O)OCC)C1=NN=N[N-]1	REAL000000006974	0	40	-1.0	-44.03	348.05	3.97	-40.06
CCCC(NC(=O)C(F)(F)CCC(=O)OCC)C1=N[N-]N=N1	REAL000000006974	1	40	-1.0	-44.03	348.00	3.97	-40.05
CCCC(NC(=O)C(F)(F)CCC(=O)OCC)C1=NNN=N1	REAL000000006974	1	41	0.0	-10.76	351.42	3.98	-6.78
CCCC(NC(=O)C1=CC(OC)=CC(OC)=C1N)C1=NN=N[N-]1	REAL000000006975	0	42	-1.0	-46.47	342.77	0.58	-45.89
CCCC(NC(=O)C1=CC(OC)=CC(OC)=C1N)C1=N[N-]N=N1	REAL000000006975	1	42	-1.0	-46.47	342.71	0.57	-45.90
CCCC(NC(=O)C1=CC(OC)=CC(OC)=C1N)C1=NNN=N1	REAL000000006975	1	43	0.0	-10.62	346.15	0.59	-10.04
CCCC(NC(=O)[C@@H](C)C1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL000000006976	0	41	-1.0	-47.33	340.95	3.54	-43.78
CCCC(NC(=O)[C@@H](C)C1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL000000006976	1	41	-1.0	-47.32	340.89	3.54	-43.78
CCCC(NC(=O)[C@@H](C)C1=CC=C2OCOC2=C1)C1=NNN=N1	REAL000000006976	1	42	0.0	-13.77	344.32	3.55	-10.22
CCCC(NC(=O)COC1CCN(S(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL000000006977	0	47	-1.0	-53.30	390.28	0.75	-52.55
CCCC(NC(=O)COC1CCN(S(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL000000006977	1	47	-1.0	-53.30	390.22	0.75	-52.55
CCCC(NC(=O)COC1CCN(S(C)(=O)=O)CC1)C1=NNN=N1	REAL000000006977	1	48	0.0	-19.74	393.66	0.76	-18.98
CCCC(NC(=O)C1=CC=CC(N2C=C(C)C=N2)=C1)C1=NN=N[N-]1	REAL000000006978	0	42	-1.0	-56.82	354.55	5.52	-51.29
CCCC(NC(=O)C1=CC=CC(N2C=C(C)C=N2)=C1)C1=N[N-]N=N1	REAL000000006978	1	42	-1.0	-56.82	354.50	5.51	-51.30
CCCC(NC(=O)C1=CC=CC(N2C=C(C)C=N2)=C1)C1=NNN=N1	REAL000000006978	1	43	0.0	-19.21	357.99	5.53	-13.68
CCCC(NC(=O)C(C)CC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL000000006979	0	41	-1.0	-45.67	348.45	5.74	-39.94
CCCC(NC(=O)C(C)CC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL000000006979	1	41	-1.0	-45.68	348.39	5.73	-39.95
CCCC(NC(=O)C(C)CC1=CC=C(F)C(F)=C1)C1=NNN=N1	REAL000000006979	1	42	0.0	-11.94	351.82	5.74	-6.19
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2C#N)C=C1)C1=NN=N[N-]1	REAL000000006980	0	43	-1.0	-49.69	372.20	7.37	-42.31
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2C#N)C=C1)C1=N[N-]N=N1	REAL000000006980	1	43	-1.0	-49.69	372.14	7.37	-42.32
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2C#N)C=C1)C1=NNN=N1	REAL000000006980	1	44	0.0	-14.24	375.62	7.37	-6.87
CCCC(NC(=O)C1=C2C=CC(F)=CC2=CC=C1)C1=NN=N[N-]1	REAL000000006981	0	38	-1.0	-48.29	321.47	5.93	-42.35
CCCC(NC(=O)C1=C2C=CC(F)=CC2=CC=C1)C1=N[N-]N=N1	REAL000000006981	1	38	-1.0	-48.29	321.41	5.92	-42.37
CCCC(NC(=O)C1=C2C=CC(F)=CC2=CC=C1)C1=NNN=N1	REAL000000006981	1	39	0.0	-12.21	324.84	5.94	-6.27
CCCC(NC(=O)C1=NC=C(Br)N1C)C1=NN=N[N-]1	REAL000000006982	0	32	-1.0	-41.91	296.42	2.55	-39.36
CCCC(NC(=O)C1=NC=C(Br)N1C)C1=N[N-]N=N1	REAL000000006982	1	32	-1.0	-41.91	296.36	2.55	-39.36
CCCC(NC(=O)C1=NC=C(Br)N1C)C1=NNN=N1	REAL000000006982	1	33	0.0	-8.21	299.79	2.56	-5.65
CCCC(NC(=O)C1=NN(CC(F)(F)F)C=C1Br)C1=NN=N[N-]1	REAL000000006983	0	35	-1.0	-51.39	338.47	3.41	-47.97
CCCC(NC(=O)C1=NN(CC(F)(F)F)C=C1Br)C1=N[N-]N=N1	REAL000000006983	1	35	-1.0	-51.39	338.42	3.42	-47.98
CCCC(NC(=O)C1=NN(CC(F)(F)F)C=C1Br)C1=NNN=N1	REAL000000006983	1	36	0.0	-13.42	334.67	3.09	-10.34
CCCC(NC(=O)CCC1=CSC(Br)=C1)C1=NN=N[N-]1	REAL000000006984	0	35	-1.0	-43.06	332.04	4.79	-38.27
CCCC(NC(=O)CCC1=CSC(Br)=C1)C1=N[N-]N=N1	REAL000000006984	1	35	-1.0	-43.06	331.98	4.80	-38.27
CCCC(NC(=O)CCC1=CSC(Br)=C1)C1=NNN=N1	REAL000000006984	1	36	0.0	-9.91	335.41	4.80	-5.11
CCCC(NC(=O)C1=C(CC)NC(CC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000006985	0	49	-1.0	-50.08	404.50	7.14	-42.94
CCCC(NC(=O)C1=C(CC)NC(CC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000006985	1	49	-1.0	-50.08	404.44	7.13	-42.95
CCCC(NC(=O)C1=C(CC)NC(CC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000006985	1	50	0.0	-11.87	407.88	7.15	-4.72
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1Cl)C1=NN=N[N-]1	REAL000000006986	0	39	-1.0	-49.07	362.45	6.71	-42.36
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1Cl)C1=N[N-]N=N1	REAL000000006986	1	39	-1.0	-49.07	362.39	6.70	-42.38
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1Cl)C1=NNN=N1	REAL000000006986	1	40	0.0	-12.64	365.82	6.71	-5.93
CCCC(NC(=O)C1=CC=NN1C1CC1(F)F)C1=NN=N[N-]1	REAL000000006987	0	36	-1.0	-43.04	317.53	3.33	-39.71
CCCC(NC(=O)C1=CC=NN1C1CC1(F)F)C1=N[N-]N=N1	REAL000000006987	1	36	-1.0	-43.04	317.46	3.33	-39.71
CCCC(NC(=O)C1=CC=NN1C1CC1(F)F)C1=NNN=N1	REAL000000006987	1	37	0.0	-12.57	321.14	3.33	-9.23
CCCC(NC(=O)C1=C(C)C2=CC(OCC)=CC=C2N1)C1=NN=N[N-]1	REAL000000006988	0	46	-1.0	-46.87	377.11	4.50	-42.36
CCCC(NC(=O)C1=C(C)C2=CC(OCC)=CC=C2N1)C1=N[N-]N=N1	REAL000000006988	1	46	-1.0	-46.86	377.05	4.50	-42.37
CCCC(NC(=O)C1=C(C)C2=CC(OCC)=CC=C2N1)C1=NNN=N1	REAL000000006988	1	47	0.0	-9.56	373.30	4.18	-5.38
CCCC(NC(=O)C1=C(C)C2=CC(CC)=CC=C2N1)C1=NN=N[N-]1	REAL000000006989	0	45	-1.0	-45.62	368.57	5.69	-39.93
CCCC(NC(=O)C1=C(C)C2=CC(CC)=CC=C2N1)C1=N[N-]N=N1	REAL000000006989	1	45	-1.0	-45.62	368.51	5.69	-39.93
CCCC(NC(=O)C1=C(C)C2=CC(CC)=CC=C2N1)C1=NNN=N1	REAL000000006989	1	46	0.0	-7.90	364.77	5.36	-2.54
CCCC(NC(=O)C1=C(C)C2=C(C)C=C(C)C=C2N1)C1=NN=N[N-]1	REAL000000006990	0	45	-1.0	-46.04	361.77	5.40	-40.64
CCCC(NC(=O)C1=C(C)C2=C(C)C=C(C)C=C2N1)C1=N[N-]N=N1	REAL000000006990	1	45	-1.0	-46.03	361.71	5.40	-40.63
CCCC(NC(=O)C1=C(C)C2=C(C)C=C(C)C=C2N1)C1=NNN=N1	REAL000000006990	1	46	0.0	-10.91	364.79	5.39	-5.53
CCCC(NC(=O)C1=C(C)C2=CC(C(C)C)=CC=C2N1)C1=NN=N[N-]1	REAL000000006991	0	48	-1.0	-45.61	385.75	6.18	-39.43
CCCC(NC(=O)C1=C(C)C2=CC(C(C)C)=CC=C2N1)C1=N[N-]N=N1	REAL000000006991	1	48	-1.0	-45.61	385.69	6.18	-39.43
CCCC(NC(=O)C1=C(C)C2=CC(C(C)C)=CC=C2N1)C1=NNN=N1	REAL000000006991	1	49	0.0	-10.67	389.13	6.19	-4.48
CCCC(NC(=O)C1=CC2=C(C(=O)OC)C=CC=C2S1)C1=NN=N[N-]1	REAL000000006992	0	41	-1.0	-55.66	364.30	5.58	-50.08
CCCC(NC(=O)C1=CC2=C(C(=O)OC)C=CC=C2S1)C1=N[N-]N=N1	REAL000000006992	1	41	-1.0	-55.67	364.25	5.58	-50.09
CCCC(NC(=O)C1=CC2=C(C(=O)OC)C=CC=C2S1)C1=NNN=N1	REAL000000006992	1	42	0.0	-14.02	360.50	5.25	-8.76
CCCC(NC(=O)CCC1=CC=CN=C1C(=O)OC)C1=NN=N[N-]1	REAL000000006993	0	43	-1.0	-49.64	362.09	3.72	-45.92
CCCC(NC(=O)CCC1=CC=CN=C1C(=O)OC)C1=N[N-]N=N1	REAL000000006993	1	43	-1.0	-49.64	362.04	3.71	-45.93
CCCC(NC(=O)CCC1=CC=CN=C1C(=O)OC)C1=NNN=N1	REAL000000006993	1	44	0.0	-14.84	365.44	3.72	-11.12
CCCC(NC(=O)C1CC(CNC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000006994	0	52	-1.0	-48.11	412.62	3.00	-45.12
CCCC(NC(=O)C1CC(CNC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000006994	1	52	-1.0	-48.11	412.56	3.00	-45.12
CCCC(NC(=O)C1CC(CNC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006994	1	53	0.0	-13.25	416.00	3.01	-10.24
CCCC(NC(=O)C=CC1=CN=CC(C(=O)NC)=C1)C1=NN=N[N-]1	REAL000000006995	0	42	-1.0	-52.80	360.39	1.33	-51.47
CCCC(NC(=O)C=CC1=CN=CC(C(=O)NC)=C1)C1=N[N-]N=N1	REAL000000006995	1	42	-1.0	-52.79	360.34	1.33	-51.46
CCCC(NC(=O)C=CC1=CN=CC(C(=O)NC)=C1)C1=NNN=N1	REAL000000006995	1	43	0.0	-17.87	363.77	1.34	-16.53
CCCC(NC(=O)C=CC1=CC=NC(Cl)=C1)C1=NN=N[N-]1	REAL000000006996	0	35	-1.0	-46.46	320.81	3.51	-42.96
CCCC(NC(=O)C=CC1=CC=NC(Cl)=C1)C1=N[N-]N=N1	REAL000000006996	1	35	-1.0	-46.46	320.75	3.50	-42.96
CCCC(NC(=O)C=CC1=CC=NC(Cl)=C1)C1=NNN=N1	REAL000000006996	1	36	0.0	-13.61	324.19	3.52	-10.10
CCCC(NC(=O)C1=C(C)C=CC(OC)=C1N)C1=NN=N[N-]1	REAL000000006997	0	41	-1.0	-46.47	339.27	1.35	-45.11
CCCC(NC(=O)C1=C(C)C=CC(OC)=C1N)C1=N[N-]N=N1	REAL000000006997	1	41	-1.0	-46.46	339.21	1.34	-45.12
CCCC(NC(=O)C1=C(C)C=CC(OC)=C1N)C1=NNN=N1	REAL000000006997	1	42	0.0	-10.50	342.65	1.36	-9.13
CCCC(NC(=O)C=CC1=C2C=CC=CC2=NC=C1)C1=NN=N[N-]1	REAL000000006998	0	41	-1.0	-48.58	347.65	5.14	-43.44
CCCC(NC(=O)C=CC1=C2C=CC=CC2=NC=C1)C1=N[N-]N=N1	REAL000000006998	1	41	-1.0	-48.58	347.59	5.13	-43.45
CCCC(NC(=O)C=CC1=C2C=CC=CC2=NC=C1)C1=NNN=N1	REAL000000006998	1	42	0.0	-14.72	351.02	5.15	-9.58
CCCC(NC(=O)C(C)=CC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL000000006999	0	39	-1.0	-45.08	334.23	5.55	-39.54
CCCC(NC(=O)C(C)=CC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL000000006999	1	39	-1.0	-45.08	334.17	5.55	-39.53
CCCC(NC(=O)C(C)=CC1=CC=C(F)C(F)=C1)C1=NNN=N1	REAL000000006999	1	40	0.0	-12.32	337.62	5.56	-6.76
CCCC(NC(=O)C1CCC(S(N)(=O)=O)CC1)C1=NN=N[N-]1	REAL000000007000	0	43	-1.0	-58.94	346.86	-1.28	-60.22
CCCC(NC(=O)C1CCC(S(N)(=O)=O)CC1)C1=N[N-]N=N1	REAL000000007000	1	43	-1.0	-58.94	346.80	-1.28	-60.22
CCCC(NC(=O)C1CCC(S(N)(=O)=O)CC1)C1=NNN=N1	REAL000000007000	1	44	0.0	-18.81	343.08	-1.60	-20.41
CCCC(NC(=O)C1=CC(C2=CC=CC=C2F)=NO1)C1=NN=N[N-]1	REAL000000007001	0	38	-1.0	-45.53	337.55	4.78	-40.76
CCCC(NC(=O)C1=CC(C2=CC=CC=C2F)=NO1)C1=N[N-]N=N1	REAL000000007001	1	38	-1.0	-45.53	337.49	4.78	-40.76
CCCC(NC(=O)C1=CC(C2=CC=CC=C2F)=NO1)C1=NNN=N1	REAL000000007001	1	39	0.0	-12.80	340.93	4.79	-8.00
CCCC(NC(=O)C(O)C1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL000000007002	0	36	-1.0	-47.63	329.16	2.95	-44.68
CCCC(NC(=O)C(O)C1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL000000007002	1	36	-1.0	-47.62	329.11	2.95	-44.67
CCCC(NC(=O)C(O)C1=CC=C(F)C(Cl)=C1)C1=NNN=N1	REAL000000007002	1	37	0.0	-14.37	332.57	2.96	-11.42
CCCC(NC(=O)C1=C(OC)C(OC)=CS1)C1=NN=N[N-]1	REAL000000007003	0	37	-1.0	-50.04	327.12	2.63	-47.42
CCCC(NC(=O)C1=C(OC)C(OC)=CS1)C1=N[N-]N=N1	REAL000000007003	1	37	-1.0	-50.05	327.07	2.62	-47.43
CCCC(NC(=O)C1=C(OC)C(OC)=CS1)C1=NNN=N1	REAL000000007003	1	38	0.0	-10.39	323.30	2.21	-8.19
CCCC(NC(=O)C1=C2N=CC=CC2=C(Br)C=C1)C1=NN=N[N-]1	REAL000000007004	0	37	-1.0	-52.48	331.87	4.97	-47.50
CCCC(NC(=O)C1=C2N=CC=CC2=C(Br)C=C1)C1=N[N-]N=N1	REAL000000007004	1	37	-1.0	-52.47	331.82	4.96	-47.51
CCCC(NC(=O)C1=C2N=CC=CC2=C(Br)C=C1)C1=NNN=N1	REAL000000007004	1	38	0.0	-15.48	335.25	4.98	-10.50
CCCC(NC(=O)C(SC)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000007005	0	39	-1.0	-43.82	350.03	5.91	-37.91
CCCC(NC(=O)C(SC)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000007005	1	39	-1.0	-43.82	349.97	5.91	-37.90
CCCC(NC(=O)C(SC)C1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000007005	1	40	0.0	-7.04	351.68	5.51	-1.53
CCCC(NC(=O)C1=CN=C2C=C(C)C=CC2=C1)C1=NN=N[N-]1	REAL000000007006	0	40	-1.0	-46.55	337.01	4.67	-41.88
CCCC(NC(=O)C1=CN=C2C=C(C)C=CC2=C1)C1=N[N-]N=N1	REAL000000007006	1	40	-1.0	-46.55	336.95	4.67	-41.88
CCCC(NC(=O)C1=CN=C2C=C(C)C=CC2=C1)C1=NNN=N1	REAL000000007006	1	41	0.0	-9.31	333.19	4.36	-4.95
CCCC(NC(=O)C1=CC=C(F)C(OC)=C1F)C1=NN=N[N-]1	REAL000000007007	0	36	-1.0	-49.65	318.35	3.23	-46.42
CCCC(NC(=O)C1=CC=C(F)C(OC)=C1F)C1=N[N-]N=N1	REAL000000007007	1	36	-1.0	-49.64	318.29	3.22	-46.43
CCCC(NC(=O)C1=CC=C(F)C(OC)=C1F)C1=NNN=N1	REAL000000007007	1	37	0.0	-16.23	321.73	3.24	-13.00
CCCC(NC(=O)C1=CC(=O)N(CC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000007008	0	38	-1.0	-56.28	337.93	3.72	-52.57
CCCC(NC(=O)C1=CC(=O)N(CC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000007008	1	38	-1.0	-56.28	337.87	3.72	-52.57
CCCC(NC(=O)C1=CC(=O)N(CC(F)(F)F)C=C1)C1=NNN=N1	REAL000000007008	1	39	0.0	-22.35	341.26	3.72	-18.63
CCCC(NC(=O)C1=CN=CC(C2=COC=C2)=C1)C1=NN=N[N-]1	REAL000000007009	0	38	-1.0	-46.60	328.53	3.44	-43.15
CCCC(NC(=O)C1=CN=CC(C2=COC=C2)=C1)C1=N[N-]N=N1	REAL000000007009	1	38	-1.0	-46.59	328.47	3.43	-43.16
CCCC(NC(=O)C1=CN=CC(C2=COC=C2)=C1)C1=NNN=N1	REAL000000007009	1	39	0.0	-12.33	331.91	3.45	-8.88
CCCC(NC(=O)C[C@H](C)C1=CC=CC(OC(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000007010	0	45	-1.0	-43.73	379.81	5.35	-38.39
CCCC(NC(=O)C[C@H](C)C1=CC=CC(OC(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000007010	1	45	-1.0	-43.73	379.75	5.34	-38.39
CCCC(NC(=O)C[C@H](C)C1=CC=CC(OC(F)(F)F)=C1)C1=NNN=N1	REAL000000007010	1	46	0.0	-11.23	383.18	5.35	-5.88
CCCC(NC(=O)C1CCS(=O)(=O)C1(C)C)C1=NN=N[N-]1	REAL000000007011	0	41	-1.0	-50.07	332.29	0.56	-49.50
CCCC(NC(=O)C1CCS(=O)(=O)C1(C)C)C1=N[N-]N=N1	REAL000000007011	1	41	-1.0	-50.06	332.23	0.57	-49.49
CCCC(NC(=O)C1CCS(=O)(=O)C1(C)C)C1=NNN=N1	REAL000000007011	1	42	0.0	-18.21	335.65	0.57	-17.63
CCCC(NC(=O)C1=CC(F)=CC(OC)=C1N)C1=NN=N[N-]1	REAL000000007012	0	38	-1.0	-43.02	319.69	1.34	-41.68
CCCC(NC(=O)C1=CC(F)=CC(OC)=C1N)C1=N[N-]N=N1	REAL000000007012	1	38	-1.0	-43.01	319.63	1.34	-41.67
CCCC(NC(=O)C1=CC(F)=CC(OC)=C1N)C1=NNN=N1	REAL000000007012	1	39	0.0	-6.80	315.93	1.02	-5.78
CCCC1=CC=C(CC(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000007013	0	44	-1.0	-46.42	363.37	6.53	-39.89
CCCC1=CC=C(CC(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000007013	1	44	-1.0	-46.42	363.31	6.53	-39.88
CCCC1=CC=C(CC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000007013	1	45	0.0	-11.24	366.74	6.54	-4.70
CCCC(NC(=O)C1=CC(=O)N(C(C)C)C=C1)C1=NN=N[N-]1	REAL000000007014	0	41	-1.0	-55.47	334.89	3.94	-51.53
CCCC(NC(=O)C1=CC(=O)N(C(C)C)C=C1)C1=N[N-]N=N1	REAL000000007014	1	41	-1.0	-55.47	334.83	3.94	-51.54
CCCC(NC(=O)C1=CC(=O)N(C(C)C)C=C1)C1=NNN=N1	REAL000000007014	1	42	0.0	-16.75	333.92	3.49	-13.26
CCCC(NC(=O)CCCCN1C(=O)CCC1=O)C1=NN=N[N-]1	REAL000000007015	0	44	-1.0	-54.19	368.72	3.38	-50.81
CCCC(NC(=O)CCCCN1C(=O)CCC1=O)C1=N[N-]N=N1	REAL000000007015	1	44	-1.0	-54.18	368.66	3.38	-50.80
CCCC(NC(=O)CCCCN1C(=O)CCC1=O)C1=NNN=N1	REAL000000007015	1	45	0.0	-17.92	372.09	3.39	-14.53
CCCC(NC(=O)C(C)C(C)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000007016	0	44	-1.0	-47.20	356.00	6.07	-41.13
CCCC(NC(=O)C(C)C(C)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000007016	1	44	-1.0	-47.20	355.94	6.06	-41.13
CCCC(NC(=O)C(C)C(C)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000007016	1	45	0.0	-11.21	359.38	6.08	-5.13
CCCC(NC(=O)C1COC2=C(Br)C=CC=C2C1)C1=NN=N[N-]1	REAL000000007017	0	40	-1.0	-43.95	349.13	4.86	-39.09
CCCC(NC(=O)C1COC2=C(Br)C=CC=C2C1)C1=N[N-]N=N1	REAL000000007017	1	40	-1.0	-43.94	349.07	4.85	-39.09
CCCC(NC(=O)C1COC2=C(Br)C=CC=C2C1)C1=NNN=N1	REAL000000007017	1	41	0.0	-8.24	345.31	4.53	-3.71
CCCC(NC(=O)C1=CN(C2=NN(C)C=C2)C=N1)C1=NN=N[N-]1	REAL000000007018	0	39	-1.0	-56.27	341.51	4.87	-51.40
CCCC(NC(=O)C1=CN(C2=NN(C)C=C2)C=N1)C1=N[N-]N=N1	REAL000000007018	1	39	-1.0	-56.27	341.45	4.86	-51.41
CCCC(NC(=O)C1=CN(C2=NN(C)C=C2)C=N1)C1=NNN=N1	REAL000000007018	1	40	0.0	-17.60	344.89	4.88	-12.72
CCCC(NC(=O)C(C)=CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL000000007019	0	39	-1.0	-45.73	327.94	5.49	-40.24
CCCC(NC(=O)C(C)=CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL000000007019	1	39	-1.0	-45.73	327.88	5.49	-40.25
CCCC(NC(=O)C(C)=CC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000007019	1	40	0.0	-10.65	331.32	5.50	-5.16
CCCCC1=NC(C(=O)NC(CCC)C2=NN=N[N-]2)=CS1	REAL000000007020	0	40	-1.0	-46.41	348.02	3.69	-42.71
CCCCC1=NC(C(=O)NC(CCC)C2=N[N-]N=N2)=CS1	REAL000000007020	1	40	-1.0	-46.41	347.97	3.69	-42.73
CCCCC1=NC(C(=O)NC(CCC)C2=NNN=N2)=CS1	REAL000000007020	1	41	0.0	-9.68	351.40	3.71	-5.97
CCCC(NC(=O)C1=CC=C(C(=O)CF)C=C1)C1=NN=N[N-]1	REAL000000007021	0	37	-1.0	-52.74	323.14	4.30	-48.44
CCCC(NC(=O)C1=CC=C(C(=O)CF)C=C1)C1=N[N-]N=N1	REAL000000007021	1	37	-1.0	-52.73	323.08	4.29	-48.45
CCCC(NC(=O)C1=CC=C(C(=O)CF)C=C1)C1=NNN=N1	REAL000000007021	1	38	0.0	-19.56	326.52	4.31	-15.26
CCCC(NC(=O)CN(C)C1=CC=C(C#N)C=C1F)C1=NN=N[N-]1	REAL000000007022	0	41	-1.0	-47.29	356.00	3.83	-43.45
CCCC(NC(=O)CN(C)C1=CC=C(C#N)C=C1F)C1=N[N-]N=N1	REAL000000007022	1	41	-1.0	-47.29	355.95	3.84	-43.45
CCCC(NC(=O)CN(C)C1=CC=C(C#N)C=C1F)C1=NNN=N1	REAL000000007022	1	42	0.0	-12.53	352.19	3.52	-9.01
CCCC(NC(=O)C1=CC(C2=CC=CC(C)=C2)=NO1)C1=NN=N[N-]1	REAL000000007023	0	41	-1.0	-42.89	354.49	5.31	-37.58
CCCC(NC(=O)C1=CC(C2=CC=CC(C)=C2)=NO1)C1=N[N-]N=N1	REAL000000007023	1	41	-1.0	-42.88	354.43	5.30	-37.59
CCCC(NC(=O)C1=CC(C2=CC=CC(C)=C2)=NO1)C1=NNN=N1	REAL000000007023	1	42	0.0	-10.13	357.87	5.32	-4.81
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NO1)C1=NN=N[N-]1	REAL000000007024	0	38	-1.0	-41.01	349.75	5.15	-35.87
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NO1)C1=N[N-]N=N1	REAL000000007024	1	38	-1.0	-41.01	349.69	5.14	-35.88
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NO1)C1=NNN=N1	REAL000000007024	1	39	0.0	-9.30	353.12	5.16	-4.14
CCCC(NC(=O)C1=CC(C2=CC=CC=C2Cl)=NO1)C1=NN=N[N-]1	REAL000000007025	0	38	-1.0	-44.22	345.42	5.31	-38.91
CCCC(NC(=O)C1=CC(C2=CC=CC=C2Cl)=NO1)C1=N[N-]N=N1	REAL000000007025	1	38	-1.0	-44.22	345.36	5.30	-38.92
CCCC(NC(=O)C1=CC(C2=CC=CC=C2Cl)=NO1)C1=NNN=N1	REAL000000007025	1	39	0.0	-11.40	348.80	5.32	-6.08
CCCC(NC(=O)C(F)(F)C1=CN=NN1C)C1=NN=N[N-]1	REAL000000007026	0	34	-1.0	-43.22	303.58	0.72	-42.50
CCCC(NC(=O)C(F)(F)C1=CN=NN1C)C1=N[N-]N=N1	REAL000000007026	1	34	-1.0	-43.21	303.52	0.71	-42.50
CCCC(NC(=O)C(F)(F)C1=CN=NN1C)C1=NNN=N1	REAL000000007026	1	35	0.0	-11.15	306.96	0.73	-10.41
CCCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C1=NN=N[N-]1	REAL000000007027	0	51	-1.0	-52.29	418.74	2.66	-49.62
CCCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C1=N[N-]N=N1	REAL000000007027	1	51	-1.0	-52.28	418.68	2.65	-49.63
CCCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C1=NNN=N1	REAL000000007027	1	52	0.0	-18.54	422.11	2.67	-15.87
CCCC(NC(=O)CC1CCN(C(=O)OC(C)(C)C)C2(CC2)C1)C1=NN=N[N-]1	REAL000000007028	0	59	-1.0	-46.17	448.10	6.27	-39.90
CCCC(NC(=O)CC1CCN(C(=O)OC(C)(C)C)C2(CC2)C1)C1=N[N-]N=N1	REAL000000007028	1	59	-1.0	-46.17	448.05	6.28	-39.89
CCCC(NC(=O)CC1CCN(C(=O)OC(C)(C)C)C2(CC2)C1)C1=NNN=N1	REAL000000007028	1	60	0.0	-12.67	451.48	6.29	-6.39
CCCC(NC(=O)C1=CC2=CC(NC(=O)OC(C)(C)C)=CC=C2N1)C1=NN=N[N-]1	REAL000000007029	0	53	-1.0	-51.65	430.30	3.82	-47.83
CCCC(NC(=O)C1=CC2=CC(NC(=O)OC(C)(C)C)=CC=C2N1)C1=N[N-]N=N1	REAL000000007029	1	53	-1.0	-51.64	430.24	3.82	-47.82
CCCC(NC(=O)C1=CC2=CC(NC(=O)OC(C)(C)C)=CC=C2N1)C1=NNN=N1	REAL000000007029	1	54	0.0	-13.46	433.35	3.83	-9.63
CCCC(NC(=O)C12CC3CC(CC(O)(C3)C1)C2)C1=NN=N[N-]1	REAL000000007030	0	47	-1.0	-51.48	349.89	2.24	-49.25
CCCC(NC(=O)C12CC3CC(CC(O)(C3)C1)C2)C1=N[N-]N=N1	REAL000000007030	1	47	-1.0	-51.49	349.83	2.23	-49.26
CCCC(NC(=O)C12CC3CC(CC(O)(C3)C1)C2)C1=NNN=N1	REAL000000007030	1	48	0.0	-13.41	353.27	2.24	-11.17
CCCC(NC(=O)C1CC(C)N1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007031	0	49	-1.0	-57.18	392.92	3.85	-53.33
CCCC(NC(=O)C1CC(C)N1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007031	1	49	-1.0	-57.17	392.86	3.85	-53.33
CCCC(NC(=O)C1CC(C)N1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007031	1	50	0.0	-20.99	393.15	4.39	-16.60
CCCC(NC(=O)C1=CC2=NNC(=O)N2C=C1)C1=NN=N[N-]1	REAL000000007032	0	35	-1.0	-45.85	306.69	1.94	-43.91
CCCC(NC(=O)C1=CC2=NNC(=O)N2C=C1)C1=N[N-]N=N1	REAL000000007032	1	35	-1.0	-45.84	306.63	1.94	-43.90
CCCC(NC(=O)C1=CC2=NNC(=O)N2C=C1)C1=NNN=N1	REAL000000007032	1	36	0.0	-12.15	302.88	1.62	-10.53
CCCC(NC(=O)C1=C(I)SN=C1C)C1=NN=N[N-]1	REAL000000007033	0	31	-1.0	-40.16	310.93	2.86	-37.31
CCCC(NC(=O)C1=C(I)SN=C1C)C1=N[N-]N=N1	REAL000000007033	1	31	-1.0	-40.16	310.87	2.85	-37.31
CCCC(NC(=O)C1=C(I)SN=C1C)C1=NNN=N1	REAL000000007033	1	32	0.0	-8.56	314.31	2.87	-5.69
CCCC(NC(=O)C1=C(C)C2=CC(C(F)(F)F)=CC=C2N1)C1=NN=N[N-]1	REAL000000007034	0	42	-1.0	-44.27	364.67	5.26	-39.00
CCCC(NC(=O)C1=C(C)C2=CC(C(F)(F)F)=CC=C2N1)C1=N[N-]N=N1	REAL000000007034	1	42	-1.0	-44.26	364.61	5.26	-39.00
CCCC(NC(=O)C1=C(C)C2=CC(C(F)(F)F)=CC=C2N1)C1=NNN=N1	REAL000000007034	1	43	0.0	-8.25	360.87	4.94	-3.31
CCCC(NC(=O)C1=C(C)C2=CC=CC(C)=C2N1)C1=NN=N[N-]1	REAL000000007035	0	42	-1.0	-45.93	346.93	4.92	-41.01
CCCC(NC(=O)C1=C(C)C2=CC=CC(C)=C2N1)C1=N[N-]N=N1	REAL000000007035	1	42	-1.0	-45.93	346.88	4.92	-41.01
CCCC(NC(=O)C1=C(C)C2=CC=CC(C)=C2N1)C1=NNN=N1	REAL000000007035	1	43	0.0	-10.93	350.30	4.93	-6.00
CCCC(NC(=O)C1=C(C)NC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000007036	0	43	-1.0	-48.16	357.18	5.63	-42.53
CCCC(NC(=O)C1=C(C)NC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000007036	1	43	-1.0	-48.16	357.13	5.62	-42.53
CCCC(NC(=O)C1=C(C)NC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000007036	1	44	0.0	-8.67	353.38	5.31	-3.36
CCCC(NC(=O)C1=C(CC)NC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000007037	0	46	-1.0	-48.18	378.55	6.36	-41.83
CCCC(NC(=O)C1=C(CC)NC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000007037	1	46	-1.0	-48.18	378.50	6.36	-41.82
CCCC(NC(=O)C1=C(CC)NC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000007037	1	47	0.0	-11.10	381.88	6.37	-4.73
CCCC(NC(=O)C1=CC=CC2=NC(CC)=CN21)C1=NN=N[N-]1	REAL000000007038	0	41	-1.0	-50.73	340.82	5.40	-45.33
CCCC(NC(=O)C1=CC=CC2=NC(CC)=CN21)C1=N[N-]N=N1	REAL000000007038	1	41	-1.0	-50.73	340.76	5.39	-45.33
CCCC(NC(=O)C1=CC=CC2=NC(CC)=CN21)C1=NNN=N1	REAL000000007038	1	42	0.0	-17.29	344.35	5.40	-11.89
CCCC(NC(=O)CC1CC(C)(C)OC(C)(C)C1)C1=NN=N[N-]1	REAL000000007039	0	51	-1.0	-45.54	384.85	4.88	-40.66
CCCC(NC(=O)CC1CC(C)(C)OC(C)(C)C1)C1=N[N-]N=N1	REAL000000007039	1	51	-1.0	-45.54	384.80	4.87	-40.67
CCCC(NC(=O)CC1CC(C)(C)OC(C)(C)C1)C1=NNN=N1	REAL000000007039	1	52	0.0	-10.11	388.23	4.89	-5.22
CCCC(NC(=O)CC1CCN2C=NC=C2C1)C1=NN=N[N-]1	REAL000000007040	0	42	-1.0	-53.72	337.59	5.23	-48.49
CCCC(NC(=O)CC1CCN2C=NC=C2C1)C1=N[N-]N=N1	REAL000000007040	1	42	-1.0	-53.71	337.53	5.23	-48.48
CCCC(NC(=O)CC1CCN2C=NC=C2C1)C1=NNN=N1	REAL000000007040	1	43	0.0	-17.22	340.96	5.24	-11.98
CCCC(NC(=O)CCCCCN1C=NN=N1)C1=NN=N[N-]1	REAL000000007041	0	42	-1.0	-56.90	354.40	3.86	-53.05
CCCC(NC(=O)CCCCCN1C=NN=N1)C1=N[N-]N=N1	REAL000000007041	1	42	-1.0	-56.91	354.34	3.85	-53.06
CCCC(NC(=O)CCCCCN1C=NN=N1)C1=NNN=N1	REAL000000007041	1	43	0.0	-22.81	357.78	3.87	-18.95
CCCC(NC(=O)CCC1=CC=C(C#N)C=C1Br)C1=NN=N[N-]1	REAL000000007042	0	39	-1.0	-44.63	358.36	5.99	-38.64
CCCC(NC(=O)CCC1=CC=C(C#N)C=C1Br)C1=N[N-]N=N1	REAL000000007042	1	39	-1.0	-44.62	358.31	5.99	-38.64
CCCC(NC(=O)CCC1=CC=C(C#N)C=C1Br)C1=NNN=N1	REAL000000007042	1	40	0.0	-13.47	361.74	6.00	-7.47
CCCC(NC(=O)C1=CC=C2NC(=O)NCC2=C1)C1=NN=N[N-]1	REAL000000007043	0	39	-1.0	-48.45	328.63	0.74	-47.72
CCCC(NC(=O)C1=CC=C2NC(=O)NCC2=C1)C1=N[N-]N=N1	REAL000000007043	1	39	-1.0	-48.45	328.57	0.73	-47.72
CCCC(NC(=O)C1=CC=C2NC(=O)NCC2=C1)C1=NNN=N1	REAL000000007043	1	40	0.0	-15.41	332.01	0.75	-14.67
CCCC(NC(=O)C(CC(F)(F)F)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000007044	0	41	-1.0	-44.46	351.24	5.75	-38.71
CCCC(NC(=O)C(CC(F)(F)F)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000007044	1	41	-1.0	-44.45	351.18	5.74	-38.71
CCCC(NC(=O)C(CC(F)(F)F)C1=CC=CC=C1)C1=NNN=N1	REAL000000007044	1	42	0.0	-8.10	346.57	5.43	-2.67
CCCC(NC(=O)C1=NN(C)C2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL000000007045	0	38	-1.0	-53.01	332.34	3.69	-49.32
CCCC(NC(=O)C1=NN(C)C2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL000000007045	1	38	-1.0	-53.01	332.28	3.68	-49.33
CCCC(NC(=O)C1=NN(C)C2=CC=C(F)C=C21)C1=NNN=N1	REAL000000007045	1	39	0.0	-11.79	328.53	3.36	-8.42
CCCC(NC(=O)C1=COC2=C1CS(=O)(=O)C2)C1=NN=N[N-]1	REAL000000007046	0	36	-1.0	-54.80	323.06	-0.45	-55.25
CCCC(NC(=O)C1=COC2=C1CS(=O)(=O)C2)C1=N[N-]N=N1	REAL000000007046	1	36	-1.0	-54.79	323.01	-0.45	-55.24
CCCC(NC(=O)C1=COC2=C1CS(=O)(=O)C2)C1=NNN=N1	REAL000000007046	1	37	0.0	-21.00	326.44	-0.44	-21.44
CCCC(NC(=O)C1=CC=C(C2CCOC2)C=C1)C1=NN=N[N-]1	REAL000000007047	0	43	-1.0	-46.65	349.08	4.27	-42.38
CCCC(NC(=O)C1=CC=C(C2CCOC2)C=C1)C1=N[N-]N=N1	REAL000000007047	1	43	-1.0	-46.65	349.03	4.26	-42.39
CCCC(NC(=O)C1=CC=C(C2CCOC2)C=C1)C1=NNN=N1	REAL000000007047	1	44	0.0	-11.60	352.46	4.28	-7.32
CCCC(NC(=O)C(F)(F)C1=CSC=C1Br)C1=NN=N[N-]1	REAL000000007048	0	32	-1.0	-42.00	316.42	3.83	-38.16
CCCC(NC(=O)C(F)(F)C1=CSC=C1Br)C1=N[N-]N=N1	REAL000000007048	1	32	-1.0	-41.99	316.36	3.84	-38.16
CCCC(NC(=O)C1=CC(C2=CN(C)N=C2)=NO1)C1=NN=N[N-]1	REAL000000007049	0	38	-1.0	-44.93	337.76	2.49	-42.44
CCCC(NC(=O)C1=CC(C2=CN(C)N=C2)=NO1)C1=N[N-]N=N1	REAL000000007049	1	38	-1.0	-44.94	337.70	2.48	-42.45
CCCC(NC(=O)C1=CC(C2=CN(C)N=C2)=NO1)C1=NNN=N1	REAL000000007049	1	39	0.0	-12.34	341.13	2.50	-9.84
CCCC(NC(=O)C1=CN=CC2=C1CCCC2)C1=NN=N[N-]1	REAL000000007050	0	41	-1.0	-45.95	326.48	4.34	-41.60
CCCC(NC(=O)C1=CN=CC2=C1CCCC2)C1=N[N-]N=N1	REAL000000007050	1	41	-1.0	-45.95	326.42	4.34	-41.60
CCCC(NC(=O)C1=CN=CC2=C1CCCC2)C1=NNN=N1	REAL000000007050	1	42	0.0	-10.05	329.85	4.35	-5.70
C=CCNC(=O)C1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000007051	0	43	-1.0	-49.94	365.06	3.32	-46.62
C=CCNC(=O)C1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000007051	1	43	-1.0	-49.94	365.01	3.32	-46.62
C=CCNC(=O)C1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000007051	1	44	0.0	-16.64	368.44	3.33	-13.31
CCCC(NC(=O)C1=CN=CC(C2=CC=CC=C2F)=C1)C1=NN=N[N-]1	REAL000000007052	0	41	-1.0	-49.09	355.10	5.51	-43.58
CCCC(NC(=O)C1=CN=CC(C2=CC=CC=C2F)=C1)C1=N[N-]N=N1	REAL000000007052	1	41	-1.0	-49.09	355.04	5.50	-43.59
CCCC(NC(=O)C1=CN=CC(C2=CC=CC=C2F)=C1)C1=NNN=N1	REAL000000007052	1	42	0.0	-14.00	358.48	5.52	-8.48
CCCC(NC(=O)C1=C(C)C2=CC=C(C)C=C2N1)C1=NN=N[N-]1	REAL000000007053	0	42	-1.0	-45.77	347.09	4.93	-40.84
CCCC(NC(=O)C1=C(C)C2=CC=C(C)C=C2N1)C1=N[N-]N=N1	REAL000000007053	1	42	-1.0	-45.77	347.04	4.93	-40.84
CCCC(NC(=O)C1=C(C)C2=CC=C(C)C=C2N1)C1=NNN=N1	REAL000000007053	1	43	0.0	-10.85	350.47	4.94	-5.91
CCCC(NC(=O)C1=C(C)C2=CC([N+](=O)[O-])=CC=C2N1)C1=NN=N[N-]1	REAL000000007054	0	41	-1.0	-45.49	353.80	4.92	-40.57
CCCC(NC(=O)C1=C(C)C2=CC([N+](=O)[O-])=CC=C2N1)C1=N[N-]N=N1	REAL000000007054	1	41	-1.0	-45.48	353.75	4.92	-40.56
CCCC(NC(=O)C1=C(C)C2=CC([N+](=O)[O-])=CC=C2N1)C1=NNN=N1	REAL000000007054	1	42	0.0	-11.21	350.00	4.60	-6.61
CCCC(NC(=O)C1=C(C)C2=CC=C(Cl)C=C2N1)C1=NN=N[N-]1	REAL000000007055	0	39	-1.0	-43.53	342.43	4.77	-38.76
CCCC(NC(=O)C1=C(C)C2=CC=C(Cl)C=C2N1)C1=N[N-]N=N1	REAL000000007055	1	39	-1.0	-43.53	342.37	4.77	-38.76
CCCC(NC(=O)C1=C(C)C2=CC=C(Cl)C=C2N1)C1=NNN=N1	REAL000000007055	1	40	0.0	-9.94	345.81	4.79	-5.15
CCCC(NC(=O)C1=C(C)C2=CC=C(F)C=C2N1)C1=NN=N[N-]1	REAL000000007056	0	39	-1.0	-43.76	332.13	4.32	-39.44
CCCC(NC(=O)C1=C(C)C2=CC=C(F)C=C2N1)C1=N[N-]N=N1	REAL000000007056	1	39	-1.0	-43.76	332.07	4.33	-39.43
CCCC(NC(=O)C1=C(C)C2=CC=C(F)C=C2N1)C1=NNN=N1	REAL000000007056	1	40	0.0	-7.61	328.32	4.01	-3.60
CCCC(NC(=O)C1=NC2=C(C)C=NN2C=C1)C1=NN=N[N-]1	REAL000000007057	0	37	-1.0	-45.39	320.87	3.28	-42.11
CCCC(NC(=O)C1=NC2=C(C)C=NN2C=C1)C1=N[N-]N=N1	REAL000000007057	1	37	-1.0	-45.39	320.81	3.27	-42.12
CCCC(NC(=O)C1=NC2=C(C)C=NN2C=C1)C1=NNN=N1	REAL000000007057	1	38	0.0	-9.96	317.06	2.95	-7.01
CCCC(NC(=O)C1=CC(Br)=CC(F)=C1F)C1=NN=N[N-]1	REAL000000007058	0	32	-1.0	-45.95	306.49	4.41	-41.54
CCCC(NC(=O)C1=CC(Br)=CC(F)=C1F)C1=N[N-]N=N1	REAL000000007058	1	32	-1.0	-45.95	306.43	4.41	-41.54
CCCC(NC(=O)C1=CC(Br)=CC(F)=C1F)C1=NNN=N1	REAL000000007058	1	33	0.0	-12.01	309.86	4.42	-7.59
CCCC(NC(=O)C1=C2SN=CC2=CC=C1)C1=NN=N[N-]1	REAL000000007059	0	34	-1.0	-55.44	304.34	3.81	-51.63
CCCC(NC(=O)C1=C2SN=CC2=CC=C1)C1=N[N-]N=N1	REAL000000007059	1	34	-1.0	-55.44	304.28	3.81	-51.63
CCCC(NC(=O)C1=C2SN=CC2=CC=C1)C1=NNN=N1	REAL000000007059	1	35	0.0	-14.28	300.52	3.49	-10.79
CCCC(NC(=O)C1CC2(C1)CCCN2C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007060	0	56	-1.0	-55.59	430.55	5.40	-50.19
CCCC(NC(=O)C1CC2(C1)CCCN2C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007060	1	56	-1.0	-55.59	430.50	5.39	-50.20
CCCC(NC(=O)C1CC2(C1)CCCN2C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007060	1	57	0.0	-11.55	431.21	5.04	-6.51
CCCC(NC(=O)CCC(CC)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007061	0	54	-1.0	-45.63	420.58	3.53	-42.09
CCCC(NC(=O)CCC(CC)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007061	1	54	-1.0	-45.62	420.52	3.54	-42.09
CCCC(NC(=O)CCC(CC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007061	1	55	0.0	-9.29	416.78	3.22	-6.07
CCCC(NC(=O)C1=C2SC=CC2=C(F)C=C1)C1=NN=N[N-]1	REAL000000007062	0	35	-1.0	-46.74	315.14	5.07	-41.67
CCCC(NC(=O)C1=C2SC=CC2=C(F)C=C1)C1=N[N-]N=N1	REAL000000007062	1	35	-1.0	-46.73	315.08	5.06	-41.67
CCCC(NC(=O)C1=C2SC=CC2=C(F)C=C1)C1=NNN=N1	REAL000000007062	1	36	0.0	-8.85	311.34	4.75	-4.10
CCCC(NC(=O)C1=CC=C(C)C(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000007063	0	45	-1.0	-49.65	371.68	7.78	-41.87
CCCC(NC(=O)C1=CC=C(C)C(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000007063	1	45	-1.0	-49.65	371.62	7.77	-41.88
CCCC(NC(=O)C1=CC=C(C)C(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000007063	1	46	0.0	-12.48	375.13	7.79	-4.69
CCCC(NC(=O)CCC1(NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000007064	0	52	-1.0	-49.59	416.52	3.47	-46.12
CCCC(NC(=O)CCC1(NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000007064	1	52	-1.0	-49.59	416.47	3.46	-46.13
CCCC(NC(=O)CCC1(NC(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000007064	1	53	0.0	-11.82	412.89	3.12	-8.70
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=CC=C1C)C1=NN=N[N-]1	REAL000000007065	0	45	-1.0	-46.97	364.55	7.77	-39.21
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=CC=C1C)C1=N[N-]N=N1	REAL000000007065	1	45	-1.0	-46.97	364.49	7.77	-39.21
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=CC=C1C)C1=NNN=N1	REAL000000007065	1	46	0.0	-7.67	360.69	7.44	-0.23
CCCC(NC(=O)C1=COC2=C(Br)C=CC=C12)C1=NN=N[N-]1	REAL000000007066	0	35	-1.0	-47.95	324.35	4.60	-43.34
CCCC(NC(=O)C1=COC2=C(Br)C=CC=C12)C1=N[N-]N=N1	REAL000000007066	1	35	-1.0	-47.94	324.29	4.59	-43.35
CCCC(NC(=O)C1=COC2=C(Br)C=CC=C12)C1=NNN=N1	REAL000000007066	1	36	0.0	-10.19	320.52	4.28	-5.91
CCCC(NC(=O)C1=CC(OC)=CC(OC)=C1Cl)C1=NN=N[N-]1	REAL000000007067	0	40	-1.0	-49.86	345.08	2.83	-47.03
CCCC(NC(=O)C1=CC(OC)=CC(OC)=C1Cl)C1=N[N-]N=N1	REAL000000007067	1	40	-1.0	-49.85	345.02	2.83	-47.03
CCCC(NC(=O)C1=CC(OC)=CC(OC)=C1Cl)C1=NNN=N1	REAL000000007067	1	41	0.0	-13.51	348.46	2.84	-10.67
CCCC(NC(=O)C1CCC1C1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL000000007068	0	42	-1.0	-49.26	374.52	7.08	-42.18
CCCC(NC(=O)C1CCC1C1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL000000007068	1	42	-1.0	-49.26	374.47	7.07	-42.18
CCCC(NC(=O)C1CCC1C1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000007068	1	43	0.0	-8.90	359.37	6.41	-2.49
CCCC(NC(=O)C1CCCC2=C1N=CS2)C1=NN=N[N-]1	REAL000000007069	0	38	-1.0	-47.00	321.60	3.70	-43.30
CCCC(NC(=O)C1CCCC2=C1N=CS2)C1=N[N-]N=N1	REAL000000007069	1	38	-1.0	-46.99	321.54	3.70	-43.30
CCCC(NC(=O)C1CCCC2=C1N=CS2)C1=NNN=N1	REAL000000007069	1	39	0.0	-10.03	324.95	3.71	-6.31
CCCC(NC(=O)C1CC(F)(F)CCC1(C)C)C1=NN=N[N-]1	REAL000000007070	0	44	-1.0	-42.59	335.91	4.85	-37.75
CCCC(NC(=O)C1CC(F)(F)CCC1(C)C)C1=N[N-]N=N1	REAL000000007070	1	44	-1.0	-42.59	335.86	4.84	-37.76
CCCC(NC(=O)C1CC(F)(F)CCC1(C)C)C1=NNN=N1	REAL000000007070	1	45	0.0	-7.96	339.29	4.86	-3.10
CCCC(NC(=O)C1=CC=C(CC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL000000007071	0	44	-1.0	-48.56	374.41	6.34	-42.22
CCCC(NC(=O)C1=CC=C(CC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL000000007071	1	44	-1.0	-48.56	374.35	6.34	-42.22
CCCC(NC(=O)C1=CC=C(CC2=CC=CC=C2)C=N1)C1=NNN=N1	REAL000000007071	1	45	0.0	-9.38	370.62	6.02	-3.35
CCCC(NC(=O)C1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C1=NN=N[N-]1	REAL000000007072	0	42	-1.0	-49.83	362.90	6.50	-43.33
CCCC(NC(=O)C1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C1=N[N-]N=N1	REAL000000007072	1	42	-1.0	-49.82	362.84	6.49	-43.33
CCCC(NC(=O)C1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C1=NNN=N1	REAL000000007072	1	43	0.0	-14.02	366.27	6.50	-7.51
CCCC(NC(=O)C1=CN=C(C(F)(F)F)S1)C1=NN=N[N-]1	REAL000000007073	0	31	-1.0	-40.71	302.82	1.96	-38.75
CCCC(NC(=O)C1=CN=C(C(F)(F)F)S1)C1=N[N-]N=N1	REAL000000007073	1	31	-1.0	-40.70	302.77	1.96	-38.74
CCCC(NC(=O)C1=CN=C(C(F)(F)F)S1)C1=NNN=N1	REAL000000007073	1	32	0.0	-9.60	306.20	1.97	-7.63
CCCC(NC(=O)C1=C2C=C(OC)C=CC2=NN1)C1=NN=N[N-]1	REAL000000007074	0	39	-1.0	-51.07	330.62	1.64	-49.43
CCCC(NC(=O)C1=C2C=C(OC)C=CC2=NN1)C1=N[N-]N=N1	REAL000000007074	1	39	-1.0	-51.06	330.56	1.63	-49.43
CCCC(NC(=O)C1=C2C=C(OC)C=CC2=NN1)C1=NNN=N1	REAL000000007074	1	40	0.0	-11.84	326.80	1.32	-10.52
CCCC(NC(=O)C1=C(C)C2=CC(OC)=CC=C2N1)C1=NN=N[N-]1	REAL000000007075	0	43	-1.0	-47.02	355.25	3.57	-43.45
CCCC(NC(=O)C1=C(C)C2=CC(OC)=CC=C2N1)C1=N[N-]N=N1	REAL000000007075	1	43	-1.0	-47.02	355.19	3.57	-43.45
CCCC(NC(=O)C1=C(C)C2=CC(OC)=CC=C2N1)C1=NNN=N1	REAL000000007075	1	44	0.0	-12.78	358.63	3.58	-9.20
CCCC(NC(=O)C(=O)C1=CSC=C1Br)C1=NN=N[N-]1	REAL000000007076	0	31	-1.0	-41.20	303.87	3.06	-38.14
CCCC(NC(=O)C(=O)C1=CSC=C1Br)C1=N[N-]N=N1	REAL000000007076	1	31	-1.0	-41.20	303.82	3.06	-38.14
CCCC(NC(=O)C(=O)C1=CSC=C1Br)C1=NNN=N1	REAL000000007076	1	32	0.0	-7.26	300.08	2.74	-4.52
CCCC(NC(=O)CC(C1=CC=C(F)C=C1)C(F)F)C1=NN=N[N-]1	REAL000000007077	0	41	-1.0	-43.67	349.18	5.75	-37.91
CCCC(NC(=O)CC(C1=CC=C(F)C=C1)C(F)F)C1=N[N-]N=N1	REAL000000007077	1	41	-1.0	-43.66	349.12	5.75	-37.91
CCCC(NC(=O)CC(C1=CC=C(F)C=C1)C(F)F)C1=NNN=N1	REAL000000007077	1	42	0.0	-8.72	345.37	5.44	-3.28
CCCC(NC(=O)C1CCN(CC(F)(F)F)C(=O)C1)C1=NN=N[N-]1	REAL000000007078	0	42	-1.0	-46.46	353.66	3.20	-43.26
CCCC(NC(=O)C1CCN(CC(F)(F)F)C(=O)C1)C1=N[N-]N=N1	REAL000000007078	1	42	-1.0	-46.45	353.60	3.20	-43.25
CCCC(NC(=O)C1CCN(CC(F)(F)F)C(=O)C1)C1=NNN=N1	REAL000000007078	1	43	0.0	-16.19	357.20	3.21	-12.98
CCCC(NC(=O)C1=CSC(Br)=C1Cl)C1=NN=N[N-]1	REAL000000007079	0	29	-1.0	-46.66	300.09	3.78	-42.88
CCCC(NC(=O)C1=CSC(Br)=C1Cl)C1=N[N-]N=N1	REAL000000007079	1	29	-1.0	-46.65	300.03	3.78	-42.87
CCCC(NC(=O)C1=CSC(Br)=C1Cl)C1=NNN=N1	REAL000000007079	1	30	0.0	-12.46	303.47	3.79	-8.67
CCCC(NC(=O)CCN(CC)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007080	0	51	-1.0	-45.48	403.18	4.59	-40.90
CCCC(NC(=O)CCN(CC)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007080	1	51	-1.0	-45.48	403.12	4.59	-40.89
CCCC(NC(=O)CCN(CC)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007080	1	52	0.0	-12.17	406.55	4.59	-7.57
CCCC(NC(=O)C(F)(F)CCN1C=CN=N1)C1=NN=N[N-]1	REAL000000007081	0	37	-1.0	-46.99	326.93	2.00	-44.99
CCCC(NC(=O)C(F)(F)CCN1C=CN=N1)C1=N[N-]N=N1	REAL000000007081	1	37	-1.0	-46.99	326.87	1.99	-45.00
CCCC(NC(=O)C(F)(F)CCN1C=CN=N1)C1=NNN=N1	REAL000000007081	1	38	0.0	-15.92	330.31	2.00	-13.92
CCCC(NC(=O)C(F)(F)C1=CC=C(F)C=C1C)C1=NN=N[N-]1	REAL000000007082	0	38	-1.0	-40.09	328.95	4.87	-35.22
CCCC(NC(=O)C(F)(F)C1=CC=C(F)C=C1C)C1=N[N-]N=N1	REAL000000007082	1	38	-1.0	-40.09	328.89	4.87	-35.23
CCCC(NC(=O)C(F)(F)C1=CC=C(F)C=C1C)C1=NNN=N1	REAL000000007082	1	39	0.0	-8.85	332.33	4.89	-3.97
CCCC(NC(=O)C(F)(F)CCN1C=CC=N1)C1=NN=N[N-]1	REAL000000007083	0	38	-1.0	-44.23	333.13	3.22	-41.00
CCCC(NC(=O)C(F)(F)CCN1C=CC=N1)C1=N[N-]N=N1	REAL000000007083	1	38	-1.0	-44.22	333.07	3.22	-41.00
CCCC(NC(=O)C(F)(F)CCN1C=CC=N1)C1=NNN=N1	REAL000000007083	1	39	0.0	-9.79	329.32	2.91	-6.88
CCCC(NC(=O)CC1CCS(=O)(=O)CC1)C1=NN=N[N-]1	REAL000000007084	0	41	-1.0	-50.26	337.47	0.62	-49.64
CCCC(NC(=O)CC1CCS(=O)(=O)CC1)C1=N[N-]N=N1	REAL000000007084	1	41	-1.0	-50.26	337.42	0.62	-49.63
CCCC(NC(=O)CC1CCS(=O)(=O)CC1)C1=NNN=N1	REAL000000007084	1	42	0.0	-18.65	340.85	0.63	-18.01
CCCC(NC(=O)C1=C2CCS(=O)(=O)C2=CN1)C1=NN=N[N-]1	REAL000000007085	0	37	-1.0	-52.23	325.52	-0.66	-52.89
CCCC(NC(=O)C1=C2CCS(=O)(=O)C2=CN1)C1=N[N-]N=N1	REAL000000007085	1	37	-1.0	-52.23	325.46	-0.67	-52.90
CCCC(NC(=O)C1=C2CCS(=O)(=O)C2=CN1)C1=NNN=N1	REAL000000007085	1	38	0.0	-19.68	328.91	-0.65	-20.33
CCCC(NC(=O)C1=CC(Br)=C(OC)C=C1F)C1=NN=N[N-]1	REAL000000007086	0	36	-1.0	-47.06	328.69	3.73	-43.33
CCCC(NC(=O)C1=CC(Br)=C(OC)C=C1F)C1=N[N-]N=N1	REAL000000007086	1	36	-1.0	-47.05	328.63	3.73	-43.33
CCCC(NC(=O)C1=CC(Br)=C(OC)C=C1F)C1=NNN=N1	REAL000000007086	1	37	0.0	-11.97	332.06	3.73	-8.24
CCCC(NC(=O)C1=CC=CC(I)=C1F)C1=NN=N[N-]1	REAL000000007087	0	32	-1.0	-50.36	305.81	4.80	-45.56
CCCC(NC(=O)C1=CC=CC(I)=C1F)C1=N[N-]N=N1	REAL000000007087	1	32	-1.0	-50.35	305.75	4.79	-45.56
CCCC(NC(=O)C1=CC=CC(I)=C1F)C1=NNN=N1	REAL000000007087	1	33	0.0	-15.08	309.19	4.81	-10.27
CCCC(NC(=O)C1=CC=CC(C(C)C)=C1F)C1=NN=N[N-]1	REAL000000007088	0	41	-1.0	-52.56	337.71	5.62	-46.93
CCCC(NC(=O)C1=CC=CC(C(C)C)=C1F)C1=N[N-]N=N1	REAL000000007088	1	41	-1.0	-52.55	337.65	5.62	-46.94
CCCC(NC(=O)C1=CC=CC(C(C)C)=C1F)C1=NNN=N1	REAL000000007088	1	42	0.0	-15.03	341.09	5.63	-9.40
CCCC(NC(=O)C1=CC(C(C)C)=CC=C1F)C1=NN=N[N-]1	REAL000000007089	0	41	-1.0	-50.08	339.07	5.65	-44.43
CCCC(NC(=O)C1=CC(C(C)C)=CC=C1F)C1=N[N-]N=N1	REAL000000007089	1	41	-1.0	-50.07	339.01	5.65	-44.42
CCCC(NC(=O)C1=CC(C(C)C)=CC=C1F)C1=NNN=N1	REAL000000007089	1	42	0.0	-13.14	342.45	5.66	-7.48
CCCC(NC(=O)C1=CC=C2C=CC=CC2=C1F)C1=NN=N[N-]1	REAL000000007090	0	38	-1.0	-53.07	324.08	5.94	-47.13
CCCC(NC(=O)C1=CC=C2C=CC=CC2=C1F)C1=N[N-]N=N1	REAL000000007090	1	38	-1.0	-53.07	324.02	5.95	-47.13
CCCC(NC(=O)C1=CC=C2C=CC=CC2=C1F)C1=NNN=N1	REAL000000007090	1	39	0.0	-11.65	320.27	5.63	-6.02
CCCC(NC(=O)C1=CC=C(C(F)(F)CF)C=C1)C1=NN=N[N-]1	REAL000000007091	0	38	-1.0	-46.92	334.06	5.32	-41.60
CCCC(NC(=O)C1=CC=C(C(F)(F)CF)C=C1)C1=N[N-]N=N1	REAL000000007091	1	38	-1.0	-46.91	334.00	5.32	-41.59
CCCC(NC(=O)C1=CC=C(C(F)(F)CF)C=C1)C1=NNN=N1	REAL000000007091	1	39	0.0	-12.75	337.44	5.33	-7.42
CCCC(NC(=O)CC(C)C1=CC=C(OC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL000000007092	0	45	-1.0	-43.89	379.80	5.35	-38.55
CCCC(NC(=O)CC(C)C1=CC=C(OC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL000000007092	1	45	-1.0	-43.90	379.74	5.34	-38.56
CCCC(NC(=O)CC(C)C1=CC=C(OC(F)(F)F)C=C1)C1=NNN=N1	REAL000000007092	1	46	0.0	-9.97	383.17	5.35	-4.62
CCCC(NC(=O)C1=CC2=C(N1)C(C(=O)OC)=CS2)C1=NN=N[N-]1	REAL000000007093	0	39	-1.0	-48.69	354.35	3.31	-45.38
CCCC(NC(=O)C1=CC2=C(N1)C(C(=O)OC)=CS2)C1=N[N-]N=N1	REAL000000007093	1	39	-1.0	-48.70	354.29	3.31	-45.39
CCCC(NC(=O)C1=CC2=C(N1)C(C(=O)OC)=CS2)C1=NNN=N1	REAL000000007093	1	40	0.0	-10.86	350.55	3.00	-7.86
CCCC(NC(=O)C1=CC2=C(C=C(C(=O)OC)S2)N1)C1=NN=N[N-]1	REAL000000007094	0	39	-1.0	-45.00	354.59	3.42	-41.58
CCCC(NC(=O)C1=CC2=C(C=C(C(=O)OC)S2)N1)C1=N[N-]N=N1	REAL000000007094	1	39	-1.0	-44.99	354.53	3.41	-41.58
CCCC(NC(=O)C1=CC2=C(C=C(C(=O)OC)S2)N1)C1=NNN=N1	REAL000000007094	1	40	0.0	-10.01	350.78	3.09	-6.92
CCCC(NC(=O)CC1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL000000007095	0	55	-1.0	-49.15	446.88	4.74	-44.41
CCCC(NC(=O)CC1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL000000007095	1	55	-1.0	-49.14	446.82	4.73	-44.41
CCCC(NC(=O)CC1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C1=NNN=N1	REAL000000007095	1	56	0.0	-14.77	450.26	4.75	-10.02
CCCC(NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000007096	0	55	-1.0	-46.32	425.79	3.72	-42.60
CCCC(NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000007096	1	55	-1.0	-46.32	425.73	3.71	-42.60
CCCC(NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007096	1	56	0.0	-12.94	429.17	3.72	-9.22
CCCC(NC(=O)C(F)CCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007097	0	48	-1.0	-45.00	393.25	1.92	-43.08
CCCC(NC(=O)C(F)CCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007097	1	48	-1.0	-45.00	393.19	1.92	-43.08
CCCC(NC(=O)C(F)CCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007097	1	49	0.0	-13.74	396.63	1.92	-11.82
CCCC(NC(=O)C1CCC2=C(C1)C(C(F)(F)F)=NN2)C1=NN=N[N-]1	REAL000000007098	0	42	-1.0	-49.67	356.86	3.32	-46.35
CCCC(NC(=O)C1CCC2=C(C1)C(C(F)(F)F)=NN2)C1=N[N-]N=N1	REAL000000007098	1	42	-1.0	-49.67	356.80	3.32	-46.36
CCCC(NC(=O)C1CCC2=C(C1)C(C(F)(F)F)=NN2)C1=NNN=N1	REAL000000007098	1	43	0.0	-16.41	360.23	3.34	-13.08
CCCC(NC(=O)C1=CC=CN1[C@H](C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000007099	0	46	-1.0	-48.02	372.64	7.17	-40.85
CCCC(NC(=O)C1=CC=CN1[C@H](C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000007099	1	46	-1.0	-48.02	372.58	7.18	-40.84
CCCC(NC(=O)C1=CC=CN1[C@H](C)C1=CC=CC=C1)C1=NNN=N1	REAL000000007099	1	47	0.0	-11.03	376.15	7.18	-3.85
CCCC(NC(=O)C1=CC=CN1[C@@H](C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL000000007100	0	46	-1.0	-49.24	372.75	7.17	-42.07
CCCC(NC(=O)C1=CC=CN1[C@@H](C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL000000007100	1	46	-1.0	-49.23	372.69	7.17	-42.06
CCCC(NC(=O)C1=CC=CN1[C@@H](C)C1=CC=CC=C1)C1=NNN=N1	REAL000000007100	1	47	0.0	-8.27	369.06	6.83	-1.44
CCCC(NC(=O)C(COC)OC1=CC=C(Cl)C=C1C)C1=NN=N[N-]1	REAL000000007101	0	46	-1.0	-50.02	395.37	5.30	-44.72
CCCC(NC(=O)C(COC)OC1=CC=C(Cl)C=C1C)C1=N[N-]N=N1	REAL000000007101	1	46	-1.0	-50.02	395.31	5.29	-44.73
CCCC(NC(=O)C(COC)OC1=CC=C(Cl)C=C1C)C1=NNN=N1	REAL000000007101	1	47	0.0	-11.61	390.48	4.93	-6.68
CCCC(NC(=O)C1=CC(C2=CC=C3OCCOC3=C2)=NN1)C1=NN=N[N-]1	REAL000000007102	0	45	-1.0	-47.00	380.34	2.83	-44.17
CCCC(NC(=O)C1=CC(C2=CC=C3OCCOC3=C2)=NN1)C1=N[N-]N=N1	REAL000000007102	1	45	-1.0	-47.00	380.28	2.83	-44.16
CCCC(NC(=O)C1=CC(C2=CC=C3OCCOC3=C2)=NN1)C1=NNN=N1	REAL000000007102	1	46	0.0	-14.74	383.72	2.84	-11.90
CCCC(NC(=O)CC(C1=CC=CC(F)=C1)C(F)F)C1=NN=N[N-]1	REAL000000007103	0	41	-1.0	-43.75	349.10	5.76	-37.99
CCCC(NC(=O)CC(C1=CC=CC(F)=C1)C(F)F)C1=N[N-]N=N1	REAL000000007103	1	41	-1.0	-43.74	349.04	5.75	-37.99
CCCC(NC(=O)CC(C1=CC=CC(F)=C1)C(F)F)C1=NNN=N1	REAL000000007103	1	42	0.0	-11.15	352.76	5.72	-5.43
CCCC(NC(=O)CN1N=C(C2CC2)N(C)C1=O)C1=NN=N[N-]1	REAL000000007104	0	42	-1.0	-56.12	359.88	4.10	-52.02
CCCC(NC(=O)CN1N=C(C2CC2)N(C)C1=O)C1=N[N-]N=N1	REAL000000007104	1	42	-1.0	-56.11	359.82	4.10	-52.01
CCCC(NC(=O)CN1N=C(C2CC2)N(C)C1=O)C1=NNN=N1	REAL000000007104	1	43	0.0	-16.77	356.05	3.79	-12.99
CCCC(NC(=O)CN1N=C(C)N(CC)C1=O)C1=NN=N[N-]1	REAL000000007105	0	41	-1.0	-56.16	348.91	3.52	-52.64
CCCC(NC(=O)CN1N=C(C)N(CC)C1=O)C1=N[N-]N=N1	REAL000000007105	1	41	-1.0	-56.16	348.85	3.52	-52.64
CCCC(NC(=O)CN1N=C(C)N(CC)C1=O)C1=NNN=N1	REAL000000007105	1	42	0.0	-20.51	352.28	3.53	-16.98
CCCC(NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2)C1=NN=N[N-]1	REAL000000007106	0	46	-1.0	-47.09	376.72	7.65	-39.44
CCCC(NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2)C1=N[N-]N=N1	REAL000000007106	1	46	-1.0	-47.09	376.66	7.65	-39.44
CCCC(NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2)C1=NNN=N1	REAL000000007106	1	47	0.0	-10.59	385.56	7.59	-3.00
CCCC(NC(=O)C1=CC(Br)=C(C)C=C1Cl)C1=NN=N[N-]1	REAL000000007107	0	35	-1.0	-44.67	326.32	5.36	-39.31
CCCC(NC(=O)C1=CC(Br)=C(C)C=C1Cl)C1=N[N-]N=N1	REAL000000007107	1	35	-1.0	-44.67	326.26	5.35	-39.32
CCCC(NC(=O)C1=CC(Br)=C(C)C=C1Cl)C1=NNN=N1	REAL000000007107	1	36	0.0	-9.60	329.70	5.37	-4.23
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CS1)C1=NN=N[N-]1	REAL000000007108	0	34	-1.0	-52.88	322.05	-2.44	-55.32
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CS1)C1=N[N-]N=N1	REAL000000007108	1	34	-1.0	-52.88	321.99	-2.45	-55.32
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CS1)C1=NNN=N1	REAL000000007108	1	35	0.0	-15.03	318.18	-2.76	-17.78
CCCC(NC(=O)C1=CN=C2C(=C1)C=CNC2=O)C1=NN=N[N-]1	REAL000000007109	0	37	-1.0	-52.34	321.23	1.08	-51.26
CCCC(NC(=O)C1=CN=C2C(=C1)C=CNC2=O)C1=N[N-]N=N1	REAL000000007109	1	37	-1.0	-52.35	321.17	1.07	-51.27
CCCC(NC(=O)C1=CN=C2C(=C1)C=CNC2=O)C1=NNN=N1	REAL000000007109	1	38	0.0	-19.04	324.60	1.09	-17.96
CCCC(NC(=O)CCCN1CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL000000007110	0	46	-1.0	-54.82	385.34	5.33	-49.49
CCCC(NC(=O)CCCN1CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL000000007110	1	46	-1.0	-54.83	385.28	5.32	-49.50
CCCC(NC(=O)CCCN1CC2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000007110	1	47	0.0	-18.68	381.52	5.01	-13.67
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C=C1C(C)=O)C1=NN=N[N-]1	REAL000000007111	0	44	-1.0	-58.81	379.61	6.76	-52.05
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C=C1C(C)=O)C1=N[N-]N=N1	REAL000000007111	1	44	-1.0	-58.80	379.55	6.76	-52.04
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C=C1C(C)=O)C1=NNN=N1	REAL000000007111	1	45	0.0	-16.87	378.06	6.44	-10.44
CCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C1=NN=N[N-]1	REAL000000007112	0	52	-1.0	-45.80	405.99	0.94	-44.85
CCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C1=N[N-]N=N1	REAL000000007112	1	52	-1.0	-45.79	405.93	0.93	-44.86
CCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C1=NNN=N1	REAL000000007112	1	53	0.0	-7.41	405.30	1.29	-6.12
CCCC(NC(=O)C(CC1=CN(C)N=C1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007113	0	55	-1.0	-54.32	440.54	3.37	-50.95
CCCC(NC(=O)C(CC1=CN(C)N=C1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007113	1	55	-1.0	-54.32	440.48	3.37	-50.94
CCCC(NC(=O)C(CC1=CN(C)N=C1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007113	1	56	0.0	-19.71	443.92	3.38	-16.33
CCCC(NC(=O)CC1CN(C(=O)OC(C)(C)C)CC(C)(C)O1)C1=NN=N[N-]1	REAL000000007114	0	59	-1.0	-50.61	453.05	5.45	-45.16
CCCC(NC(=O)CC1CN(C(=O)OC(C)(C)C)CC(C)(C)O1)C1=N[N-]N=N1	REAL000000007114	1	59	-1.0	-50.61	452.99	5.44	-45.17
CCCC(NC(=O)CC1CN(C(=O)OC(C)(C)C)CC(C)(C)O1)C1=NNN=N1	REAL000000007114	1	60	0.0	-15.43	456.42	5.46	-9.97
CCCC(NC(=O)C(C)C1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000007115	0	55	-1.0	-45.91	425.92	4.97	-40.94
CCCC(NC(=O)C(C)C1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000007115	1	55	-1.0	-45.91	425.86	4.96	-40.94
CCCC(NC(=O)C(C)C1CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007115	1	56	0.0	-10.48	422.11	4.65	-5.83
CCCC(NC(=O)C1=CC=C(C(C)CC)NC1=O)C1=NN=N[N-]1	REAL000000007116	0	44	-1.0	-55.19	355.67	3.52	-51.67
CCCC(NC(=O)C1=CC=C(C(C)CC)NC1=O)C1=N[N-]N=N1	REAL000000007116	1	44	-1.0	-55.19	355.61	3.51	-51.68
CCCC(NC(=O)C1=CC=C(C(C)CC)NC1=O)C1=NNN=N1	REAL000000007116	1	45	0.0	-13.93	358.90	3.53	-10.40
CCCC(NC(=O)C(C)OC1=CC=C(C(C)(C)C)C=C1C)C1=NN=N[N-]1	REAL000000007117	0	54	-1.0	-48.91	420.78	7.90	-41.01
CCCC(NC(=O)C(C)OC1=CC=C(C(C)(C)C)C=C1C)C1=N[N-]N=N1	REAL000000007117	1	54	-1.0	-48.92	420.73	7.89	-41.03
CCCC(NC(=O)C(C)OC1=CC=C(C(C)(C)C)C=C1C)C1=NNN=N1	REAL000000007117	1	55	0.0	-13.25	424.15	7.91	-5.34
CCCC(NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1C)C1=NN=N[N-]1	REAL000000007118	0	42	-1.0	-47.25	361.33	6.07	-41.18
CCCC(NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1C)C1=N[N-]N=N1	REAL000000007118	1	42	-1.0	-47.25	361.27	6.07	-41.18
CCCC(NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1C)C1=NNN=N1	REAL000000007118	1	43	0.0	-13.11	364.73	6.08	-7.03
CCCC(NC(=O)C1COC2=CC=C(Br)C=C2C1)C1=NN=N[N-]1	REAL000000007119	0	40	-1.0	-43.76	350.22	4.79	-38.97
CCCC(NC(=O)C1COC2=CC=C(Br)C=C2C1)C1=N[N-]N=N1	REAL000000007119	1	40	-1.0	-43.76	350.16	4.78	-38.97
CCCC(NC(=O)C1COC2=CC=C(Br)C=C2C1)C1=NNN=N1	REAL000000007119	1	41	0.0	-10.50	353.65	4.79	-5.71
CCCC(NC(=O)C(C)OC1=CC=C(C)C=C1C)C1=NN=N[N-]1	REAL000000007120	0	45	-1.0	-49.40	366.02	6.23	-43.17
CCCC(NC(=O)C(C)OC1=CC=C(C)C=C1C)C1=N[N-]N=N1	REAL000000007120	1	45	-1.0	-49.40	365.96	6.23	-43.17
CCCC(NC(=O)C(C)OC1=CC=C(C)C=C1C)C1=NNN=N1	REAL000000007120	1	46	0.0	-13.73	369.40	6.24	-7.49
CCCC(NC(=O)CN1C(=O)NC2(CCOCC2)C1=O)C1=NN=N[N-]1	REAL000000007121	0	45	-1.0	-52.98	371.03	-0.06	-53.05
CCCC(NC(=O)CN1C(=O)NC2(CCOCC2)C1=O)C1=N[N-]N=N1	REAL000000007121	1	45	-1.0	-52.99	370.97	-0.07	-53.07
CCCC(NC(=O)CN1C(=O)NC2(CCOCC2)C1=O)C1=NNN=N1	REAL000000007121	1	46	0.0	-16.44	374.45	-0.06	-16.50
CCCC(NC(=O)C1=C2C=CC(Cl)=CC2=CC=C1)C1=NN=N[N-]1	REAL000000007122	0	38	-1.0	-48.36	331.76	6.38	-41.98
CCCC(NC(=O)C1=C2C=CC(Cl)=CC2=CC=C1)C1=N[N-]N=N1	REAL000000007122	1	38	-1.0	-48.35	331.71	6.37	-41.99
CCCC(NC(=O)C1=C2C=CC(Cl)=CC2=CC=C1)C1=NNN=N1	REAL000000007122	1	39	0.0	-8.47	327.96	6.06	-2.41
CCCC(NC(=O)CC1CCC2=CC(Br)=CC=C21)C1=NN=N[N-]1	REAL000000007123	0	42	-1.0	-44.17	361.68	6.71	-37.46
CCCC(NC(=O)CC1CCC2=CC(Br)=CC=C21)C1=N[N-]N=N1	REAL000000007123	1	42	-1.0	-44.17	361.63	6.71	-37.47
CCCC(NC(=O)CC1CCC2=CC(Br)=CC=C21)C1=NNN=N1	REAL000000007123	1	43	0.0	-9.69	365.06	6.72	-2.97
CCCC(NC(=O)C1=CN=CC(C2=CC=C(F)C=C2)=C1)C1=NN=N[N-]1	REAL000000007124	0	41	-1.0	-46.00	350.13	5.36	-40.64
CCCC(NC(=O)C1=CN=CC(C2=CC=C(F)C=C2)=C1)C1=N[N-]N=N1	REAL000000007124	1	41	-1.0	-46.00	350.08	5.35	-40.64
CCCC(NC(=O)C1=CN=CC(C2=CC=C(F)C=C2)=C1)C1=NNN=N1	REAL000000007124	1	42	0.0	-11.96	353.51	5.37	-6.58
CCCC(NC(=O)C1=C(Cl)SC2=C1SN=N2)C1=NN=N[N-]1	REAL000000007125	0	30	-1.0	-42.99	310.57	1.97	-41.02
CCCC(NC(=O)C1=C(Cl)SC2=C1SN=N2)C1=N[N-]N=N1	REAL000000007125	1	30	-1.0	-42.98	310.51	1.97	-41.01
CCCC(NC(=O)C1=C(Cl)SC2=C1SN=N2)C1=NNN=N1	REAL000000007125	1	31	0.0	-10.29	313.94	1.98	-8.31
CCCC(NC(=O)C1=CC2=C(N1)C(C(=O)OC)=CO2)C1=NN=N[N-]1	REAL000000007126	0	39	-1.0	-49.41	345.74	2.42	-46.99
CCCC(NC(=O)C1=CC2=C(N1)C(C(=O)OC)=CO2)C1=N[N-]N=N1	REAL000000007126	1	39	-1.0	-49.41	345.68	2.41	-47.00
CCCC(NC(=O)C1=CC2=C(N1)C(C(=O)OC)=CO2)C1=NNN=N1	REAL000000007126	1	40	0.0	-12.40	341.91	2.10	-10.30
CCCC(NC(=O)C1=CC2=C(C)C=C(C(=O)OC)C=C2N1)C1=NN=N[N-]1	REAL000000007127	0	45	-1.0	-46.04	383.51	4.87	-41.17
CCCC(NC(=O)C1=CC2=C(C)C=C(C(=O)OC)C=C2N1)C1=N[N-]N=N1	REAL000000007127	1	45	-1.0	-46.05	383.45	4.86	-41.19
CCCC(NC(=O)C1=CC2=C(C)C=C(C(=O)OC)C=C2N1)C1=NNN=N1	REAL000000007127	1	46	0.0	-12.94	386.87	4.87	-8.07
CCCC(NC(=O)C1=C(C)SC(C2=NNC=N2)=N1)C1=NN=N[N-]1	REAL000000007128	0	37	-1.0	-52.53	335.36	2.35	-50.17
CCCC(NC(=O)C1=C(C)SC(C2=NNC=N2)=N1)C1=N[N-]N=N1	REAL000000007128	1	37	-1.0	-52.53	335.31	2.36	-50.18
CCCC(NC(=O)C1=C(C)SC(C2=NNC=N2)=N1)C1=NNN=N1	REAL000000007128	1	38	0.0	-14.13	331.54	2.03	-12.10
CCCC(NC(=O)C1=CC(CC2=CC=CC=C2)=CN1)C1=NN=N[N-]1	REAL000000007129	0	43	-1.0	-50.37	364.74	5.89	-44.48
CCCC(NC(=O)C1=CC(CC2=CC=CC=C2)=CN1)C1=N[N-]N=N1	REAL000000007129	1	43	-1.0	-50.37	364.68	5.89	-44.48
CCCC(NC(=O)C1=CC(CC2=CC=CC=C2)=CN1)C1=NNN=N1	REAL000000007129	1	44	0.0	-10.57	360.91	5.57	-5.00
CCCC(NC(=O)C1=CC=CC(C(=O)OC)=C1C)C1=NN=N[N-]1	REAL000000007130	0	41	-1.0	-50.24	339.25	4.85	-45.39
CCCC(NC(=O)C1=CC=CC(C(=O)OC)=C1C)C1=N[N-]N=N1	REAL000000007130	1	41	-1.0	-50.23	339.19	4.84	-45.39
CCCC(NC(=O)C1=CC=CC(C(=O)OC)=C1C)C1=NNN=N1	REAL000000007130	1	42	0.0	-15.37	342.66	4.85	-10.52
CCCC(NC(=O)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)C1=NN=N[N-]1	REAL000000007131	0	45	-1.0	-55.06	379.56	6.21	-48.85
CCCC(NC(=O)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)C1=N[N-]N=N1	REAL000000007131	1	45	-1.0	-55.05	379.50	6.21	-48.84
CCCC(NC(=O)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)C1=NNN=N1	REAL000000007131	1	46	0.0	-18.53	382.93	6.22	-12.31
CCCC(NC(=O)C1=CC=C(C2=CSC=C2)C=C1)C1=NN=N[N-]1	REAL000000007132	0	39	-1.0	-47.19	339.32	6.07	-41.12
CCCC(NC(=O)C1=CC=C(C2=CSC=C2)C=C1)C1=N[N-]N=N1	REAL000000007132	1	39	-1.0	-47.18	339.27	6.06	-41.12
CCCC(NC(=O)C1=CC=C(C2=CSC=C2)C=C1)C1=NNN=N1	REAL000000007132	1	40	0.0	-11.58	342.70	6.08	-5.50
CCCC(NC(=O)C1=CC=C2CCOC(=O)C2=C1)C1=NN=N[N-]1	REAL000000007133	0	39	-1.0	-58.02	330.14	4.59	-53.42
CCCC(NC(=O)C1=CC=C2CCOC(=O)C2=C1)C1=N[N-]N=N1	REAL000000007133	1	39	-1.0	-58.02	330.08	4.59	-53.42
CCCC(NC(=O)C1=CC=C2CCOC(=O)C2=C1)C1=NNN=N1	REAL000000007133	1	40	0.0	-21.75	333.48	4.60	-17.15
CCCC(NC(=O)C1CC2=CC(Br)=CN=C2C1)C1=NN=N[N-]1	REAL000000007134	0	38	-1.0	-45.38	337.46	4.20	-41.18
CCCC(NC(=O)C1CC2=CC(Br)=CN=C2C1)C1=N[N-]N=N1	REAL000000007134	1	38	-1.0	-45.37	337.40	4.21	-41.17
CCCC(NC(=O)C1CC2=CC(Br)=CN=C2C1)C1=NNN=N1	REAL000000007134	1	39	0.0	-10.70	340.88	4.22	-6.49
CCCC(NC(=O)C1=CC2=C(C)NN=C2C=N1)C1=NN=N[N-]1	REAL000000007135	0	37	-1.0	-50.38	319.69	1.26	-49.12
CCCC(NC(=O)C1=CC2=C(C)NN=C2C=N1)C1=N[N-]N=N1	REAL000000007135	1	37	-1.0	-50.38	319.63	1.25	-49.13
CCCC(NC(=O)C1=CC2=C(C)NN=C2C=N1)C1=NNN=N1	REAL000000007135	1	38	0.0	-13.53	323.06	1.27	-12.26
CCCC(NC(=O)C1=CN(CC(F)(F)F)C=N1)C1=NN=N[N-]1	REAL000000007136	0	35	-1.0	-51.37	320.51	4.16	-47.21
CCCC(NC(=O)C1=CN(CC(F)(F)F)C=N1)C1=N[N-]N=N1	REAL000000007136	1	35	-1.0	-51.37	320.45	4.17	-47.21
CCCC(NC(=O)C1=CN(CC(F)(F)F)C=N1)C1=NNN=N1	REAL000000007136	1	36	0.0	-14.83	323.89	4.17	-10.65
CCCC(NC(=O)C(F)C1CCN(C(=O)OC(C)(C)C)C1(C)C)C1=NN=N[N-]1	REAL000000007137	0	58	-1.0	-48.14	445.14	5.49	-42.66
CCCC(NC(=O)C(F)C1CCN(C(=O)OC(C)(C)C)C1(C)C)C1=N[N-]N=N1	REAL000000007137	1	58	-1.0	-48.13	445.08	5.48	-42.65
CCCC(NC(=O)C(F)C1CCN(C(=O)OC(C)(C)C)C1(C)C)C1=NNN=N1	REAL000000007137	1	59	0.0	-13.38	448.52	5.49	-7.89
CCCC(NC(=O)CCCCC1CSSC1)C1=NN=N[N-]1	REAL000000007138	0	43	-1.0	-47.78	366.82	6.83	-40.95
CCCC(NC(=O)CCCCC1CSSC1)C1=N[N-]N=N1	REAL000000007138	1	43	-1.0	-47.77	366.76	6.82	-40.95
CCCC(NC(=O)CCCCC1CSSC1)C1=NNN=N1	REAL000000007138	1	44	0.0	-14.26	370.20	6.84	-7.42
CCCC(NC(=O)C1CCN(C(=O)NC)CC1)C1=NN=N[N-]1	REAL000000007139	0	44	-1.0	-54.32	349.63	1.64	-52.68
CCCC(NC(=O)C1CCN(C(=O)NC)CC1)C1=N[N-]N=N1	REAL000000007139	1	44	-1.0	-54.32	349.57	1.64	-52.69
CCCC(NC(=O)C1CCN(C(=O)NC)CC1)C1=NNN=N1	REAL000000007139	1	45	0.0	-15.96	345.81	1.33	-14.63
CCCC(NC(=O)C1=C2C=CC=C(Cl)C2=CN=C1)C1=NN=N[N-]1	REAL000000007140	0	37	-1.0	-44.57	325.57	4.56	-40.01
CCCC(NC(=O)C1=C2C=CC=C(Cl)C2=CN=C1)C1=N[N-]N=N1	REAL000000007140	1	37	-1.0	-44.57	325.51	4.56	-40.01
CCCC(NC(=O)C1=C2C=CC=C(Cl)C2=CN=C1)C1=NNN=N1	REAL000000007140	1	38	0.0	-7.60	321.74	4.25	-3.35
CCCC(NC(=O)C1=C2N=CC=CC2=CC(C)=C1)C1=NN=N[N-]1	REAL000000007141	0	40	-1.0	-57.32	334.79	5.12	-52.20
CCCC(NC(=O)C1=C2N=CC=CC2=CC(C)=C1)C1=N[N-]N=N1	REAL000000007141	1	40	-1.0	-57.32	334.73	5.11	-52.21
CCCC(NC(=O)C1=C2N=CC=CC2=CC(C)=C1)C1=NNN=N1	REAL000000007141	1	41	0.0	-13.62	330.97	4.80	-8.82
CCCC(NC(=O)CC1=CC(Br)=CS1)C1=NN=N[N-]1	REAL000000007142	0	32	-1.0	-44.55	310.67	4.05	-40.50
CCCC(NC(=O)CC1=CC(Br)=CS1)C1=N[N-]N=N1	REAL000000007142	1	32	-1.0	-44.55	310.62	4.05	-40.50
CCCC(NC(=O)CC1=CC(Br)=CS1)C1=NNN=N1	REAL000000007142	1	33	0.0	-8.33	306.89	3.74	-4.59
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL000000007143	0	43	-1.0	-47.24	377.14	7.62	-39.62
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL000000007143	1	43	-1.0	-47.24	377.08	7.62	-39.62
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC=C2)S1)C1=NNN=N1	REAL000000007143	1	44	0.0	-11.04	380.52	7.63	-3.41
CCCC(NC(=O)C1=CC=CC(C2(OC)COC2)=C1)C1=NN=N[N-]1	REAL000000007144	0	44	-1.0	-51.36	354.86	2.97	-48.38
CCCC(NC(=O)C1=CC=CC(C2(OC)COC2)=C1)C1=N[N-]N=N1	REAL000000007144	1	44	-1.0	-51.35	354.80	2.97	-48.39
CCCC(NC(=O)C1=CC=CC(C2(OC)COC2)=C1)C1=NNN=N1	REAL000000007144	1	45	0.0	-14.81	358.24	2.98	-11.82
CCCC(NC(=O)C1=C2C=CN(CCOC)C2=CC=C1)C1=NN=N[N-]1	REAL000000007145	0	46	-1.0	-52.51	381.41	5.33	-47.18
CCCC(NC(=O)C1=C2C=CN(CCOC)C2=CC=C1)C1=N[N-]N=N1	REAL000000007145	1	46	-1.0	-52.52	381.35	5.33	-47.18
CCCC(NC(=O)C1=C2C=CN(CCOC)C2=CC=C1)C1=NNN=N1	REAL000000007145	1	47	0.0	-10.84	377.61	5.02	-5.82
CCCC(NC(=O)C1=C2C=CN(C(C)C)C2=CC=C1)C1=NN=N[N-]1	REAL000000007146	0	45	-1.0	-53.40	365.82	6.77	-46.63
CCCC(NC(=O)C1=C2C=CN(C(C)C)C2=CC=C1)C1=N[N-]N=N1	REAL000000007146	1	45	-1.0	-53.41	365.76	6.77	-46.63
CCCC(NC(=O)C1=C2C=CN(C(C)C)C2=CC=C1)C1=NNN=N1	REAL000000007146	1	46	0.0	-14.39	369.20	6.78	-7.61
CCCC(NC(=O)CC(CC)CC(F)(F)F)C1=NN=N[N-]1	REAL000000007147	0	40	-1.0	-47.29	324.24	4.14	-43.15
CCCC(NC(=O)CC(CC)CC(F)(F)F)C1=N[N-]N=N1	REAL000000007147	1	40	-1.0	-47.29	324.18	4.13	-43.16
CCCC(NC(=O)CC(CC)CC(F)(F)F)C1=NNN=N1	REAL000000007147	1	41	0.0	-12.55	328.07	4.14	-8.41
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=NS1)C1=NN=N[N-]1	REAL000000007148	0	38	-1.0	-42.73	345.60	4.93	-37.80
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=NS1)C1=N[N-]N=N1	REAL000000007148	1	38	-1.0	-42.73	345.55	4.93	-37.79
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=NS1)C1=NNN=N1	REAL000000007148	1	39	0.0	-10.63	348.98	4.94	-5.69
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NS1)C1=NN=N[N-]1	REAL000000007149	0	38	-1.0	-42.53	355.93	5.38	-37.15
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NS1)C1=N[N-]N=N1	REAL000000007149	1	38	-1.0	-42.53	355.87	5.38	-37.15
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NS1)C1=NNN=N1	REAL000000007149	1	39	0.0	-10.26	359.30	5.39	-4.87
CCCC(NC(=O)C1=CC(C2=CC=CC(Cl)=C2)=NS1)C1=NN=N[N-]1	REAL000000007150	0	38	-1.0	-43.80	355.93	5.39	-38.41
CCCC(NC(=O)C1=CC(C2=CC=CC(Cl)=C2)=NS1)C1=N[N-]N=N1	REAL000000007150	1	38	-1.0	-43.80	355.87	5.38	-38.42
CCCC(NC(=O)C1=CC(C2=CC=CC(Cl)=C2)=NS1)C1=NNN=N1	REAL000000007150	1	39	0.0	-10.49	359.31	5.39	-5.10
CCCC(NC(=O)CC1=CC=C(C(=O)C2=CC=C(C)C=C2)N1C)C1=NN=N[N-]1	REAL000000007151	0	51	-1.0	-53.35	419.49	7.49	-45.86
CCCC(NC(=O)CC1=CC=C(C(=O)C2=CC=C(C)C=C2)N1C)C1=N[N-]N=N1	REAL000000007151	1	51	-1.0	-53.35	419.43	7.49	-45.85
CCCC(NC(=O)CC1=CC=C(C(=O)C2=CC=C(C)C=C2)N1C)C1=NNN=N1	REAL000000007151	1	52	0.0	-17.62	422.86	7.50	-10.13
CCCC(NC(=O)C1=C(C)C2=C(F)C=C(F)C=C2N1)C1=NN=N[N-]1	REAL000000007152	0	39	-1.0	-43.34	336.50	4.34	-39.00
CCCC(NC(=O)C1=C(C)C2=C(F)C=C(F)C=C2N1)C1=N[N-]N=N1	REAL000000007152	1	39	-1.0	-43.33	336.44	4.33	-39.00
CCCC(NC(=O)C1=C(C)C2=C(F)C=C(F)C=C2N1)C1=NNN=N1	REAL000000007152	1	40	0.0	-7.72	332.69	4.01	-3.71
CCCC(NC(=O)C1=CC(CNC(=O)OC(C)(C)C)=CC=N1)C1=NN=N[N-]1	REAL000000007153	0	51	-1.0	-50.33	419.56	2.34	-47.99
CCCC(NC(=O)C1=CC(CNC(=O)OC(C)(C)C)=CC=N1)C1=N[N-]N=N1	REAL000000007153	1	51	-1.0	-50.33	419.50	2.34	-47.99
CCCC(NC(=O)C1=CC(CNC(=O)OC(C)(C)C)=CC=N1)C1=NNN=N1	REAL000000007153	1	52	0.0	-13.71	422.94	2.35	-11.36
CCCC(NC(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000007154	0	55	-1.0	-46.31	425.79	3.72	-42.59
CCCC(NC(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000007154	1	55	-1.0	-46.31	425.73	3.71	-42.60
CCCC(NC(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007154	1	56	0.0	-9.83	422.00	3.39	-6.44
CCCC(NC(=O)C1=CC=C(Cl)C(F)=C1F)C1=NN=N[N-]1	REAL000000007155	0	32	-1.0	-48.78	301.35	4.30	-44.49
CCCC(NC(=O)C1=CC=C(Cl)C(F)=C1F)C1=N[N-]N=N1	REAL000000007155	1	32	-1.0	-48.78	301.29	4.29	-44.49
CCCC(NC(=O)C1=CC=C(Cl)C(F)=C1F)C1=NNN=N1	REAL000000007155	1	33	0.0	-15.60	304.73	4.31	-11.29
CCCC(NC(=O)C1=CC=C(CC(=O)OC)C=C1)C1=NN=N[N-]1	REAL000000007156	0	41	-1.0	-53.11	351.30	5.09	-48.02
CCCC(NC(=O)C1=CC=C(CC(=O)OC)C=C1)C1=N[N-]N=N1	REAL000000007156	1	41	-1.0	-53.10	351.24	5.07	-48.03
CCCC(NC(=O)C1=CC=C(CC(=O)OC)C=C1)C1=NNN=N1	REAL000000007156	1	42	0.0	-12.21	347.48	4.76	-7.44
CCCC(NC(=O)[C@H](COC(C)(C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007157	0	58	-1.0	-46.09	449.80	2.52	-43.57
CCCC(NC(=O)[C@H](COC(C)(C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007157	1	58	-1.0	-46.09	449.74	2.52	-43.57
CCCC(NC(=O)[C@H](COC(C)(C)C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007157	1	59	0.0	-11.08	455.61	2.62	-8.46
CCCC(NC(=O)C(CC1CCOCC1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007158	0	59	-1.0	-54.12	451.78	4.25	-49.87
CCCC(NC(=O)C(CC1CCOCC1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007158	1	59	-1.0	-54.12	451.72	4.24	-49.88
CCCC(NC(=O)C(CC1CCOCC1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007158	1	60	0.0	-16.27	455.17	4.26	-12.01
CCCC(NC(=O)C1=CC(F)=C(F)C(F)=C1N)C1=NN=N[N-]1	REAL000000007159	0	34	-1.0	-39.38	302.98	2.09	-37.29
CCCC(NC(=O)C1=CC(F)=C(F)C(F)=C1N)C1=N[N-]N=N1	REAL000000007159	1	34	-1.0	-39.36	302.92	2.08	-37.28
CCCC(NC(=O)C1=CC(F)=C(F)C(F)=C1N)C1=NNN=N1	REAL000000007159	1	35	0.0	-9.31	306.35	2.10	-7.21
CCCC(NC(=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000007160	0	55	-1.0	-58.82	421.69	5.26	-53.56
CCCC(NC(=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000007160	1	55	-1.0	-58.82	421.64	5.27	-53.55
CCCC(NC(=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007160	1	56	0.0	-14.36	417.89	4.95	-9.41
CCCC(NC(=O)C1(C)CCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007161	0	49	-1.0	-45.29	392.89	3.53	-41.75
CCCC(NC(=O)C1(C)CCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007161	1	49	-1.0	-45.28	392.84	3.54	-41.75
CCCC(NC(=O)C1(C)CCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007161	1	50	0.0	-10.81	382.58	3.92	-6.89
CCCC(NC(=O)C(CC(C)(C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007162	0	57	-1.0	-40.67	413.33	4.46	-36.21
CCCC(NC(=O)C(CC(C)(C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007162	1	57	-1.0	-40.66	413.28	4.45	-36.21
CCCC(NC(=O)C(CC(C)(C)C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007162	1	58	0.0	-7.61	408.06	4.86	-2.75
CCCC(NC(=O)C(CCOC(C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007163	0	58	-1.0	-43.90	452.37	2.69	-41.21
CCCC(NC(=O)C(CCOC(C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007163	1	58	-1.0	-43.90	452.31	2.68	-41.22
CCCC(NC(=O)C(CCOC(C)C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007163	1	59	0.0	-18.30	456.58	3.49	-14.80
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC(F)(F)C1)C1=NN=N[N-]1	REAL000000007164	0	52	-1.0	-43.74	414.99	4.70	-39.04
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC(F)(F)C1)C1=N[N-]N=N1	REAL000000007164	1	52	-1.0	-43.74	414.93	4.70	-39.03
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC(F)(F)C1)C1=NNN=N1	REAL000000007164	1	53	0.0	-9.83	411.18	4.39	-5.44
CCCC(NC(=O)C1=COC(CNC(=O)OC(C)(C)C)=N1)C1=NN=N[N-]1	REAL000000007165	0	48	-1.0	-45.97	401.85	-1.23	-47.20
CCCC(NC(=O)C1=COC(CNC(=O)OC(C)(C)C)=N1)C1=N[N-]N=N1	REAL000000007165	1	48	-1.0	-45.97	401.79	-1.24	-47.21
CCCC(NC(=O)C1=COC(CNC(=O)OC(C)(C)C)=N1)C1=NNN=N1	REAL000000007165	1	49	0.0	-11.69	405.23	-1.22	-12.91
CCCC(NC(=O)C1=CC(N(C)C)=CC=C1Br)C1=NN=N[N-]1	REAL000000007166	0	40	-1.0	-47.71	342.08	4.68	-43.03
CCCC(NC(=O)C1=CC(N(C)C)=CC=C1Br)C1=N[N-]N=N1	REAL000000007166	1	40	-1.0	-47.71	342.03	4.67	-43.04
CCCC(NC(=O)C1=CC(N(C)C)=CC=C1Br)C1=NNN=N1	REAL000000007166	1	41	0.0	-11.53	345.46	4.69	-6.84
CCCC(NC(=O)C1=CC=C2C(=C1)CCCS2(=O)=O)C1=NN=N[N-]1	REAL000000007167	0	42	-1.0	-54.08	355.56	2.19	-51.89
CCCC(NC(=O)C1=CC=C2C(=C1)CCCS2(=O)=O)C1=N[N-]N=N1	REAL000000007167	1	42	-1.0	-54.07	355.50	2.18	-51.89
CCCC(NC(=O)C1=CC=C2C(=C1)CCCS2(=O)=O)C1=NNN=N1	REAL000000007167	1	43	0.0	-18.71	358.94	2.19	-16.51
CCCC(NC(=O)C1=CC2=C(N1)C(Br)=CO2)C1=NN=N[N-]1	REAL000000007168	0	33	-1.0	-44.83	310.25	2.27	-42.55
CCCC(NC(=O)C1=CC2=C(N1)C(Br)=CO2)C1=N[N-]N=N1	REAL000000007168	1	33	-1.0	-44.82	310.19	2.27	-42.56
CCCC(NC(=O)C1=CC2=C(N1)C(Br)=CO2)C1=NNN=N1	REAL000000007168	1	34	0.0	-11.35	313.63	2.28	-9.07
CCCC(NC(=O)C1=CC2=NC=C(C(C)C)C=C2N1)C1=NN=N[N-]1	REAL000000007169	0	44	-1.0	-47.61	363.25	3.59	-44.02
CCCC(NC(=O)C1=CC2=NC=C(C(C)C)C=C2N1)C1=N[N-]N=N1	REAL000000007169	1	44	-1.0	-47.61	363.19	3.59	-44.02
CCCC(NC(=O)C1=CC2=NC=C(C(C)C)C=C2N1)C1=NNN=N1	REAL000000007169	1	45	0.0	-13.96	366.63	3.60	-10.36
CCCC(NC(=O)CC1=CC2=C(C=C1Br)OCO2)C1=NN=N[N-]1	REAL000000007170	0	38	-1.0	-47.54	342.67	3.46	-44.08
CCCC(NC(=O)CC1=CC2=C(C=C1Br)OCO2)C1=N[N-]N=N1	REAL000000007170	1	38	-1.0	-47.54	342.62	3.47	-44.07
CCCC(NC(=O)CC1=CC2=C(C=C1Br)OCO2)C1=NNN=N1	REAL000000007170	1	39	0.0	-13.02	346.06	3.47	-9.55
CCCC(NC(=O)C1=C(Br)SC2=C1SN=N2)C1=NN=N[N-]1	REAL000000007171	0	30	-1.0	-42.46	314.99	2.07	-40.38
CCCC(NC(=O)C1=C(Br)SC2=C1SN=N2)C1=N[N-]N=N1	REAL000000007171	1	30	-1.0	-42.46	314.93	2.06	-40.39
CCCC(NC(=O)C1=C(Br)SC2=C1SN=N2)C1=NNN=N1	REAL000000007171	1	31	0.0	-7.93	309.10	1.68	-6.25
CCCC(NC(=O)C1=NC2=CC(Br)=CN=C2N1)C1=NN=N[N-]1	REAL000000007172	0	34	-1.0	-41.85	320.41	2.29	-39.56
CCCC(NC(=O)C1=NC2=CC(Br)=CN=C2N1)C1=N[N-]N=N1	REAL000000007172	1	34	-1.0	-41.85	320.35	2.28	-39.57
CCCC(NC(=O)C1=NC2=CC(Br)=CN=C2N1)C1=NNN=N1	REAL000000007172	1	35	0.0	-9.17	323.79	2.30	-6.87
CCCC(NC(=O)CN1CCCC(NC(=O)OC(C)(C)C)C1=O)C1=NN=N[N-]1	REAL000000007173	0	56	-1.0	-53.69	442.82	2.58	-51.12
CCCC(NC(=O)CN1CCCC(NC(=O)OC(C)(C)C)C1=O)C1=N[N-]N=N1	REAL000000007173	1	56	-1.0	-53.69	442.76	2.57	-51.13
CCCC(NC(=O)CN1CCCC(NC(=O)OC(C)(C)C)C1=O)C1=NNN=N1	REAL000000007173	1	57	0.0	-23.29	446.20	2.59	-20.71
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC12CCCC2)C1=NN=N[N-]1	REAL000000007174	0	59	-1.0	-55.57	447.28	5.96	-49.61
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC12CCCC2)C1=N[N-]N=N1	REAL000000007174	1	59	-1.0	-55.57	447.22	5.95	-49.62
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC12CCCC2)C1=NNN=N1	REAL000000007174	1	60	0.0	-13.32	443.42	5.67	-7.64
CCCC(NC(=O)C(CCOCC)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007175	0	55	-1.0	-43.88	432.10	1.93	-41.95
CCCC(NC(=O)C(CCOCC)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007175	1	55	-1.0	-43.88	432.04	1.93	-41.95
CCCC(NC(=O)C(CCOCC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007175	1	56	0.0	-10.60	435.47	1.94	-8.66
C#CCC1(C(=O)NC(CCC)C2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL000000007176	0	54	-1.0	-57.61	425.62	5.62	-52.00
C#CCC1(C(=O)NC(CCC)C2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)C1	REAL000000007176	1	54	-1.0	-57.61	425.56	5.62	-52.00
C#CCC1(C(=O)NC(CCC)C2=NNN=N2)CCN(C(=O)OC(C)(C)C)C1	REAL000000007176	1	55	0.0	-15.53	429.00	5.63	-9.90
CCCC(NC(=O)C1=CC=C2CN(C(=O)OC(C)(C)C)CCN21)C1=NN=N[N-]1	REAL000000007177	0	54	-1.0	-51.99	422.61	5.58	-46.40
CCCC(NC(=O)C1=CC=C2CN(C(=O)OC(C)(C)C)CCN21)C1=N[N-]N=N1	REAL000000007177	1	54	-1.0	-51.99	422.56	5.58	-46.41
CCCC(NC(=O)C1=CC=C2CN(C(=O)OC(C)(C)C)CCN21)C1=NNN=N1	REAL000000007177	1	55	0.0	-11.24	419.71	5.21	-6.03
CCCC(NC(=O)C1=CC(Br)=CC(OCC)=C1N)C1=NN=N[N-]1	REAL000000007178	0	41	-1.0	-42.88	356.47	2.82	-40.06
CCCC(NC(=O)C1=CC(Br)=CC(OCC)=C1N)C1=N[N-]N=N1	REAL000000007178	1	41	-1.0	-42.88	356.41	2.81	-40.07
CCCC(NC(=O)C1=CC(Br)=CC(OCC)=C1N)C1=NNN=N1	REAL000000007178	1	42	0.0	-8.56	359.84	2.83	-5.72
CCCC(NC(=O)C1(F)CN(C(=O)OC(C)(C)C)CC12CCC2)C1=NN=N[N-]1	REAL000000007179	0	56	-1.0	-43.87	435.61	5.33	-38.53
CCCC(NC(=O)C1(F)CN(C(=O)OC(C)(C)C)CC12CCC2)C1=N[N-]N=N1	REAL000000007179	1	56	-1.0	-43.86	435.58	5.32	-38.54
CCCC(NC(=O)C1(F)CN(C(=O)OC(C)(C)C)CC12CCC2)C1=NNN=N1	REAL000000007179	1	57	0.0	-8.86	431.77	5.01	-3.85
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Br)C1=NN=N[N-]1	REAL000000007180	0	39	-1.0	-47.88	345.16	6.17	-41.72
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Br)C1=N[N-]N=N1	REAL000000007180	1	39	-1.0	-47.89	345.11	6.17	-41.72
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Br)C1=NNN=N1	REAL000000007180	1	40	0.0	-9.42	341.39	5.86	-3.56
CCCC(NC(=O)C(NC(=O)OC(C)(C)C)C1=CC=NN1C)C1=NN=N[N-]1	REAL000000007181	0	52	-1.0	-46.48	420.79	2.03	-44.44
CCCC(NC(=O)C(NC(=O)OC(C)(C)C)C1=CC=NN1C)C1=N[N-]N=N1	REAL000000007181	1	52	-1.0	-46.48	420.73	2.03	-44.45
CCCC(NC(=O)C(NC(=O)OC(C)(C)C)C1=CC=NN1C)C1=NNN=N1	REAL000000007181	1	53	0.0	-12.74	420.47	2.98	-9.76
C=CCN(CCC(=O)NC(CCC)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL000000007182	0	52	-1.0	-45.48	416.61	5.16	-40.32
C=CCN(CCC(=O)NC(CCC)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL000000007182	1	52	-1.0	-45.48	416.55	5.16	-40.31
C=CCN(CCC(=O)NC(CCC)C1=NNN=N1)C(=O)OC(C)(C)C	REAL000000007182	1	53	0.0	-10.01	412.81	4.83	-5.18
CCCC(NC(=O)C(CC(C)C)ONC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007183	0	55	-1.0	-55.60	432.48	4.94	-50.66
CCCC(NC(=O)C(CC(C)C)ONC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007183	1	55	-1.0	-55.60	432.42	4.94	-50.66
CCCC(NC(=O)C(CC(C)C)ONC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007183	1	56	0.0	-18.14	435.04	5.10	-13.04
CCCC(NC(=O)C1=CC=C2C=CC=CC2=C1C)C1=NN=N[N-]1	REAL000000007184	0	41	-1.0	-47.65	332.50	6.45	-41.20
CCCC(NC(=O)C1=CC=C2C=CC=CC2=C1C)C1=N[N-]N=N1	REAL000000007184	1	41	-1.0	-47.65	332.44	6.44	-41.21
CCCC(NC(=O)C1=CC=C2C=CC=CC2=C1C)C1=NNN=N1	REAL000000007184	1	42	0.0	-10.84	335.88	6.46	-4.38
CCCC(NC(=O)CCC1=CC=CC(OC)=N1)C1=NN=N[N-]1	REAL000000007185	0	41	-1.0	-47.39	346.78	1.86	-45.53
CCCC(NC(=O)CCC1=CC=CC(OC)=N1)C1=N[N-]N=N1	REAL000000007185	1	41	-1.0	-47.39	346.72	1.86	-45.53
CCCC(NC(=O)CCC1=CC=CC(OC)=N1)C1=NNN=N1	REAL000000007185	1	42	0.0	-11.85	350.15	1.87	-9.98
CCCC(NC(=O)C1=NN(C)C2=C1COCC2)C1=NN=N[N-]1	REAL000000007186	0	40	-1.0	-51.41	331.55	1.40	-50.01
CCCC(NC(=O)C1=NN(C)C2=C1COCC2)C1=N[N-]N=N1	REAL000000007186	1	40	-1.0	-51.41	331.49	1.40	-50.01
CCCC(NC(=O)C1=NN(C)C2=C1COCC2)C1=NNN=N1	REAL000000007186	1	41	0.0	-14.17	334.93	1.41	-12.76
CCCC(NC(=O)C1=CC2=C(C=CS2)N1C)C1=NN=N[N-]1	REAL000000007187	0	36	-1.0	-45.26	316.15	4.26	-41.01
CCCC(NC(=O)C1=CC2=C(C=CS2)N1C)C1=N[N-]N=N1	REAL000000007187	1	36	-1.0	-45.26	316.09	4.26	-41.00
CCCC(NC(=O)C1=CC2=C(C=CS2)N1C)C1=NNN=N1	REAL000000007187	1	37	0.0	-10.82	319.95	4.26	-6.57
CCCC(NC(=O)C1=C(C)N(CC(F)F)N=C1)C1=NN=N[N-]1	REAL000000007188	0	38	-1.0	-46.48	329.31	2.99	-43.48
CCCC(NC(=O)C1=C(C)N(CC(F)F)N=C1)C1=N[N-]N=N1	REAL000000007188	1	38	-1.0	-46.47	329.25	2.99	-43.48
CCCC(NC(=O)C1=C(C)N(CC(F)F)N=C1)C1=NNN=N1	REAL000000007188	1	39	0.0	-12.24	332.70	3.01	-9.23
CCCC(NC(=O)C1=C(C)N(C2CCC2)N=C1)C1=NN=N[N-]1	REAL000000007189	0	42	-1.0	-46.95	342.99	4.09	-42.86
CCCC(NC(=O)C1=C(C)N(C2CCC2)N=C1)C1=N[N-]N=N1	REAL000000007189	1	42	-1.0	-46.95	342.94	4.10	-42.86
CCCC(NC(=O)C1=C(C)N(C2CCC2)N=C1)C1=NNN=N1	REAL000000007189	1	43	0.0	-11.53	346.39	4.10	-7.43
CCCC(NC(=O)[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000007190	0	53	-1.0	-52.16	421.43	1.25	-50.91
CCCC(NC(=O)[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000007190	1	53	-1.0	-52.16	421.37	1.24	-50.92
CCCC(NC(=O)[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007190	1	54	0.0	-14.81	424.85	1.24	-13.57
CCCC(NC(=O)CC1=CC(N)=C([N+](=O)[O-])C=C1Br)C1=NN=N[N-]1	REAL000000007191	0	39	-1.0	-49.90	357.26	3.53	-46.37
CCCC(NC(=O)CC1=CC(N)=C([N+](=O)[O-])C=C1Br)C1=N[N-]N=N1	REAL000000007191	1	39	-1.0	-49.90	357.19	3.53	-46.38
CCCC(NC(=O)CC1=CC(N)=C([N+](=O)[O-])C=C1Br)C1=NNN=N1	REAL000000007191	1	40	0.0	-14.47	360.64	3.55	-10.93
CCCC(NC(=O)C(CC1=CNN=C1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007192	0	52	-1.0	-43.56	411.75	1.12	-42.44
CCCC(NC(=O)C(CC1=CNN=C1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007192	1	52	-1.0	-43.55	411.69	1.12	-42.43
CCCC(NC(=O)C(CC1=CNN=C1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007192	1	53	0.0	-13.66	414.90	1.12	-12.54
CCCC(NC(=O)C(F)C1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000007193	0	55	-1.0	-51.94	425.69	5.32	-46.62
CCCC(NC(=O)C(F)C1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000007193	1	55	-1.0	-51.93	425.63	5.31	-46.63
CCCC(NC(=O)C(F)C1CCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000007193	1	56	0.0	-11.58	427.97	5.05	-6.53
CCCC(NC(=O)C1(OC)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000007194	0	50	-1.0	-45.00	402.18	1.62	-43.38
CCCC(NC(=O)C1(OC)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000007194	1	50	-1.0	-45.01	402.12	1.62	-43.39
CCCC(NC(=O)C1(OC)CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007194	1	51	0.0	-11.66	405.40	1.64	-10.02
CCCC(NC(=O)C(NC(=O)OC(C)(C)C)C1CC2(CCC2)C1)C1=NN=N[N-]1	REAL000000007195	0	59	-1.0	-43.03	450.94	5.08	-37.95
CCCC(NC(=O)C(NC(=O)OC(C)(C)C)C1CC2(CCC2)C1)C1=N[N-]N=N1	REAL000000007195	1	59	-1.0	-43.03	450.88	5.08	-37.94
CCCC(NC(=O)C(NC(=O)OC(C)(C)C)C1CC2(CCC2)C1)C1=NNN=N1	REAL000000007195	1	60	0.0	-10.25	454.35	5.08	-5.17
CCCC(NC(=O)C(NC(=O)OC(C)(C)C)C1CC(C)(C)C1)C1=NN=N[N-]1	REAL000000007196	0	58	-1.0	-44.05	442.40	4.33	-39.72
CCCC(NC(=O)C(NC(=O)OC(C)(C)C)C1CC(C)(C)C1)C1=N[N-]N=N1	REAL000000007196	1	58	-1.0	-44.04	442.34	4.33	-39.72
CCCC(NC(=O)C(NC(=O)OC(C)(C)C)C1CC(C)(C)C1)C1=NNN=N1	REAL000000007196	1	59	0.0	-10.18	445.78	4.34	-5.85
CCCC(NC(=O)C1CC2CC1CC2CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007197	0	59	-1.0	-52.47	449.98	4.53	-47.94
CCCC(NC(=O)C1CC2CC1CC2CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007197	1	59	-1.0	-52.46	449.92	4.52	-47.95
CCCC(NC(=O)C1CC2CC1CC2CNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007197	1	60	0.0	-12.55	449.42	4.49	-8.06
CCCC(NC(=O)C(C)(C)C1(O)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000007198	0	56	-1.0	-54.29	431.77	1.96	-52.33
CCCC(NC(=O)C(C)(C)C1(O)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000007198	1	56	-1.0	-54.29	431.71	1.96	-52.33
CCCC(NC(=O)C(C)(C)C1(O)CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007198	1	57	0.0	-16.69	435.14	1.97	-14.73
CCCC(NC(=O)C1CCCC(NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000007199	0	58	-1.0	-50.42	436.57	4.27	-46.14
CCCC(NC(=O)C1CCCC(NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000007199	1	58	-1.0	-50.42	436.51	4.27	-46.14
CCCC(NC(=O)C1CCCC(NC(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000007199	1	59	0.0	-10.78	432.76	3.96	-6.82
CCCC(NC(=O)C1=NC=C(NC(=O)OC(C)(C)C)C=C1Cl)C1=NN=N[N-]1	REAL000000007200	0	48	-1.0	-50.01	406.15	2.70	-47.31
CCCC(NC(=O)C1=NC=C(NC(=O)OC(C)(C)C)C=C1Cl)C1=N[N-]N=N1	REAL000000007200	1	48	-1.0	-50.01	406.09	2.70	-47.31
CCCC(NC(=O)C1=NC=C(NC(=O)OC(C)(C)C)C=C1Cl)C1=NNN=N1	REAL000000007200	1	49	0.0	-13.54	409.52	2.71	-10.83
CCCC(NC(=O)C1=C(Br)N(C)N=C1OC)C1=NN=N[N-]1	REAL000000007201	0	36	-1.0	-50.19	334.45	-0.27	-50.46
CCCC(NC(=O)C1=C(Br)N(C)N=C1OC)C1=N[N-]N=N1	REAL000000007201	1	36	-1.0	-50.19	334.39	-0.27	-50.46
CCCC(NC(=O)C1=C(Br)N(C)N=C1OC)C1=NNN=N1	REAL000000007201	1	37	0.0	-13.18	337.81	-0.26	-13.44
CCCC(NC(=O)C1=CC=C(NC(C)=O)C=C1F)C1=NN=N[N-]1	REAL000000007202	0	39	-1.0	-54.67	335.16	2.64	-52.03
CCCC(NC(=O)C1=CC=C(NC(C)=O)C=C1F)C1=N[N-]N=N1	REAL000000007202	1	39	-1.0	-54.67	335.10	2.63	-52.04
CCCC(NC(=O)C1=CC=C(NC(C)=O)C=C1F)C1=NNN=N1	REAL000000007202	1	40	0.0	-16.94	338.52	2.64	-14.30
CCCC(NC(=O)[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(OC)C1)C1=NN=N[N-]1	REAL000000007203	0	56	-1.0	-48.74	441.01	1.87	-46.87
CCCC(NC(=O)[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(OC)C1)C1=N[N-]N=N1	REAL000000007203	1	56	-1.0	-48.74	440.95	1.86	-46.88
CCCC(NC(=O)[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(OC)C1)C1=NNN=N1	REAL000000007203	1	57	0.0	-13.78	444.03	1.87	-11.91
CCCC(NC(=O)CC1=CC(C(F)(F)F)=CO1)C1=NN=N[N-]1	REAL000000007204	0	35	-1.0	-47.73	320.55	3.54	-44.19
CCCC(NC(=O)CC1=CC(C(F)(F)F)=CO1)C1=N[N-]N=N1	REAL000000007204	1	35	-1.0	-47.72	320.49	3.53	-44.19
CCCC(NC(=O)CC1=CC(C(F)(F)F)=CO1)C1=NNN=N1	REAL000000007204	1	36	0.0	-10.90	316.82	3.21	-7.69
CCCC(NC(=O)C1=CC=CC(C2(S(C)(=O)=O)CC2)=C1)C1=NN=N[N-]1	REAL000000007205	0	45	-1.0	-72.53	374.98	2.87	-69.66
CCCC(NC(=O)C1=CC=CC(C2(S(C)(=O)=O)CC2)=C1)C1=N[N-]N=N1	REAL000000007205	1	45	-1.0	-72.54	374.92	2.86	-69.67
CCCC(NC(=O)C1=CC=CC(C2(S(C)(=O)=O)CC2)=C1)C1=NNN=N1	REAL000000007205	1	46	0.0	-30.38	378.37	2.88	-27.50
CCCC(NC(=O)C1=CC2=C(C)SC(C)=C2S1)C1=NN=N[N-]1	REAL000000007206	0	38	-1.0	-47.15	348.19	5.61	-41.54
CCCC(NC(=O)C1=CC2=C(C)SC(C)=C2S1)C1=N[N-]N=N1	REAL000000007206	1	38	-1.0	-47.15	348.14	5.61	-41.54
CCCC(NC(=O)C1=CC2=C(C)SC(C)=C2S1)C1=NNN=N1	REAL000000007206	1	39	0.0	-10.48	351.56	5.62	-4.85
CCCC(NC(=O)C1=C2SC(Cl)=C(Cl)C2=CC=C1)C1=NN=N[N-]1	REAL000000007207	0	35	-1.0	-46.74	341.58	6.10	-40.65
CCCC(NC(=O)C1=C2SC(Cl)=C(Cl)C2=CC=C1)C1=N[N-]N=N1	REAL000000007207	1	35	-1.0	-46.74	341.52	6.10	-40.64
CCCC(NC(=O)C1=C2SC(Cl)=C(Cl)C2=CC=C1)C1=NNN=N1	REAL000000007207	1	36	0.0	-12.65	344.96	6.11	-6.54
CCCC(NC(=O)[C@@H]1C[C@@]2(C)CCCN2S1(=O)=O)C1=NN=N[N-]1	REAL000000007208	0	44	-1.0	-50.46	347.54	0.37	-50.09
CCCC(NC(=O)[C@@H]1C[C@@]2(C)CCCN2S1(=O)=O)C1=N[N-]N=N1	REAL000000007208	1	44	-1.0	-50.46	347.48	0.37	-50.09
CCCC(NC(=O)[C@@H]1C[C@@]2(C)CCCN2S1(=O)=O)C1=NNN=N1	REAL000000007208	1	45	0.0	-14.05	351.25	0.38	-13.66
CCCC(NC(=O)CN1C=CC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL000000007209	0	39	-1.0	-47.74	338.64	5.85	-41.89
CCCC(NC(=O)CN1C=CC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL000000007209	1	39	-1.0	-47.73	338.58	5.85	-41.88
CCCC(NC(=O)CN1C=CC2=CC(F)=CC=C21)C1=NNN=N1	REAL000000007209	1	40	0.0	-13.14	334.83	5.53	-7.61
CCCC(NC(=O)C1=CN2C3=C(C=C(F)C=C3C1=O)CCC2C)C1=NN=N[N-]1	REAL000000007210	0	48	-1.0	-55.60	387.95	6.76	-48.84
CCCC(NC(=O)C1=CN2C3=C(C=C(F)C=C3C1=O)CCC2C)C1=N[N-]N=N1	REAL000000007210	1	48	-1.0	-55.61	387.89	6.76	-48.85
CCCC(NC(=O)C1=CN2C3=C(C=C(F)C=C3C1=O)CCC2C)C1=NNN=N1	REAL000000007210	1	49	0.0	-15.70	384.57	6.42	-9.29
CCCC(NC(=O)C1=CC2=C(CC(C)(C)CC2=O)OC1=O)C1=NN=N[N-]1	REAL000000007211	0	46	-1.0	-54.76	377.18	5.46	-49.30
CCCC(NC(=O)C1=CC2=C(CCCC2=O)OC1=O)C1=NN=N[N-]1	REAL000000007212	0	40	-1.0	-56.38	340.12	4.51	-51.87
CCCC(NC(=O)C1=C2C=CC(OC)=CC2=NC=C1)C1=NN=N[N-]1	REAL000000007213	0	41	-1.0	-47.03	339.87	3.31	-43.72
CCCC(NC(=O)C1=C2C=CC(OC)=CC2=NC=C1)C1=N[N-]N=N1	REAL000000007213	1	41	-1.0	-47.03	339.81	3.31	-43.72
CCCC(NC(=O)C1=C2C=CC(OC)=CC2=NC=C1)C1=NNN=N1	REAL000000007213	1	42	0.0	-14.10	343.25	3.32	-10.78
CCCC(NC(=O)C1CCC(SCC)CC1)C1=NN=N[N-]1	REAL000000007214	0	45	-1.0	-44.91	363.12	5.83	-39.08
CCCC(NC(=O)C1CCC(SCC)CC1)C1=N[N-]N=N1	REAL000000007214	1	45	-1.0	-44.90	363.06	5.83	-39.07
CCCC(NC(=O)C1CCC(SCC)CC1)C1=NNN=N1	REAL000000007214	1	46	0.0	-8.57	352.80	5.36	-3.20
CCCC(NC(=O)CCC1=CC(C)=NC(C)=C1)C1=NN=N[N-]1	REAL000000007215	0	43	-1.0	-45.67	358.48	4.59	-41.08
CCCC(NC(=O)CCC1=CC(C)=NC(C)=C1)C1=N[N-]N=N1	REAL000000007215	1	43	-1.0	-45.67	358.42	4.59	-41.08
CCCC(NC(=O)CCC1=CC(C)=NC(C)=C1)C1=NNN=N1	REAL000000007215	1	44	0.0	-12.09	361.86	4.60	-7.49
CCCC(NC(=O)C1=CC=C2C=C(C)C=CC2=C1)C1=NN=N[N-]1	REAL000000007216	0	41	-1.0	-48.07	341.77	6.56	-41.52
CCCC(NC(=O)C1=CC=C2C=C(C)C=CC2=C1)C1=N[N-]N=N1	REAL000000007216	1	41	-1.0	-48.07	341.71	6.56	-41.52
CCCC(NC(=O)C1=CC=C2C=C(C)C=CC2=C1)C1=NNN=N1	REAL000000007216	1	42	0.0	-11.73	345.14	6.57	-5.16
CCCC(NC(=O)C1=CSC(Cl)=C1Cl)C1=NN=N[N-]1	REAL000000007217	0	29	-1.0	-46.96	295.68	3.68	-43.28
CCCC(NC(=O)C1=CSC(Cl)=C1Cl)C1=N[N-]N=N1	REAL000000007217	1	29	-1.0	-46.95	295.62	3.68	-43.27
CCCC(NC(=O)C1=CSC(Cl)=C1Cl)C1=NNN=N1	REAL000000007217	1	30	0.0	-12.71	299.06	3.69	-9.02
CCCC(NC(=O)C1=CC=CC(N2CCOCC2=O)=C1)C1=NN=N[N-]1	REAL000000007218	0	44	-1.0	-54.97	367.68	3.12	-51.85
CCCC(NC(=O)C1=CC=CC(N2CCOCC2=O)=C1)C1=N[N-]N=N1	REAL000000007218	1	44	-1.0	-54.97	367.62	3.11	-51.86
CCCC(NC(=O)C1=CC=CC(N2CCOCC2=O)=C1)C1=NNN=N1	REAL000000007218	1	45	0.0	-17.37	371.05	3.13	-14.24
CCCC(NC(=O)C1=CN(C2CCC2)N=C1C)C1=NN=N[N-]1	REAL000000007219	0	42	-1.0	-48.38	342.80	3.99	-44.40
CCCC(NC(=O)C1=CN(C2CCC2)N=C1C)C1=N[N-]N=N1	REAL000000007219	1	42	-1.0	-48.38	342.74	3.98	-44.40
CCCC(NC(=O)C1=CN(C2CCC2)N=C1C)C1=NNN=N1	REAL000000007219	1	43	0.0	-10.18	338.99	3.66	-6.52
CCCC(NC(=O)C1=CN(C2=CC=CC(F)=C2)N=C1)C1=NN=N[N-]1	REAL000000007220	0	39	-1.0	-47.35	341.73	4.86	-42.49
CCCC(NC(=O)C1=CN(C2=CC=CC(F)=C2)N=C1)C1=N[N-]N=N1	REAL000000007220	1	39	-1.0	-47.35	341.68	4.85	-42.50
CCCC(NC(=O)C1=CN(C2=CC=CC(F)=C2)N=C1)C1=NNN=N1	REAL000000007220	1	40	0.0	-9.82	337.91	4.54	-5.28
CCCC(NC(=O)C1=CNC=C1Br)C1=NN=N[N-]1	REAL000000007221	0	30	-1.0	-52.79	281.08	2.13	-50.65
CCCC(NC(=O)C1=CNC=C1Br)C1=N[N-]N=N1	REAL000000007221	1	30	-1.0	-52.78	281.02	2.13	-50.66
CCCC(NC(=O)C1=CNC=C1Br)C1=NNN=N1	REAL000000007221	1	31	0.0	-16.25	284.46	2.14	-14.11
CCCC(NC(=O)CCNC(=O)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL000000007222	0	42	-1.0	-56.02	372.19	3.29	-52.72
CCCC(NC(=O)CCNC(=O)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL000000007222	1	42	-1.0	-56.01	372.13	3.29	-52.72
CCCC(NC(=O)CCNC(=O)C1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000007222	1	43	0.0	-21.64	375.57	3.30	-18.34
CCCC(NC(=O)C1CC(OC(F)(F)F)C1)C1=NN=N[N-]1	REAL000000007223	0	36	-1.0	-47.61	317.95	2.18	-45.42
CCCC(NC(=O)C1CC(OC(F)(F)F)C1)C1=N[N-]N=N1	REAL000000007223	1	36	-1.0	-47.60	317.90	2.19	-45.42
CCCC(NC(=O)C1CC(OC(F)(F)F)C1)C1=NNN=N1	REAL000000007223	1	37	0.0	-11.14	321.36	2.19	-8.95
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CO1)C1=NN=N[N-]1	REAL000000007224	0	35	-1.0	-54.73	321.63	-0.88	-55.61
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CO1)C1=N[N-]N=N1	REAL000000007224	1	35	-1.0	-54.73	321.57	-0.89	-55.62
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CO1)C1=NNN=N1	REAL000000007224	1	36	0.0	-19.25	325.01	-0.87	-20.13
CCCC(NC(=O)CC1=CC=C2COCCC2=C1)C1=NN=N[N-]1	REAL000000007225	0	43	-1.0	-48.39	352.69	4.41	-43.98
CCCC(NC(=O)CC1=CC=C2COCCC2=C1)C1=N[N-]N=N1	REAL000000007225	1	43	-1.0	-48.39	352.63	4.40	-43.99
CCCC(NC(=O)CC1=CC=C2COCCC2=C1)C1=NNN=N1	REAL000000007225	1	44	0.0	-13.33	356.07	4.42	-8.91
CCCC(NC(=O)CC1=CC=C2CCOCC2=C1)C1=NN=N[N-]1	REAL000000007226	0	43	-1.0	-48.91	352.69	4.41	-44.50
CCCC(NC(=O)CC1=CC=C2CCOCC2=C1)C1=N[N-]N=N1	REAL000000007226	1	43	-1.0	-48.91	352.63	4.40	-44.51
CCCC(NC(=O)CC1=CC=C2CCOCC2=C1)C1=NNN=N1	REAL000000007226	1	44	0.0	-13.39	356.07	4.42	-8.96
CCCC(NC(=O)C1=CN=CC(C2=CC=CC(F)=C2)=C1)C1=NN=N[N-]1	REAL000000007227	0	41	-1.0	-44.73	350.14	5.36	-39.37
CCCC(NC(=O)C1=CN=CC(C2=CC=CC(F)=C2)=C1)C1=N[N-]N=N1	REAL000000007227	1	41	-1.0	-44.73	350.08	5.35	-39.38
CCCC(NC(=O)C1=CN=CC(C2=CC=CC(F)=C2)=C1)C1=NNN=N1	REAL000000007227	1	42	0.0	-11.38	353.52	5.37	-6.01
CCCC(NC(=O)C1=CC=C(Br)C(C)=N1)C1=NN=N[N-]1	REAL000000007228	0	34	-1.0	-43.41	311.30	3.07	-40.34
CCCC(NC(=O)C1=CC=C(Br)C(C)=N1)C1=N[N-]N=N1	REAL000000007228	1	34	-1.0	-43.41	311.24	3.06	-40.35
CCCC(NC(=O)C1=CC=C(Br)C(C)=N1)C1=NNN=N1	REAL000000007228	1	35	0.0	-6.44	307.49	2.74	-3.70
CCCC(NC(=O)C1=NC=C(Br)C=C1OC)C1=NN=N[N-]1	REAL000000007229	0	35	-1.0	-47.54	320.39	3.10	-44.44
CCCC(NC(=O)C1=NC=C(Br)C=C1OC)C1=N[N-]N=N1	REAL000000007229	1	35	-1.0	-47.54	320.33	3.10	-44.44
CCCC(NC(=O)C1=NC=C(Br)C=C1OC)C1=NNN=N1	REAL000000007229	1	36	0.0	-10.72	323.77	3.11	-7.61
CCCC(NC(=O)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)C1=NN=N[N-]1	REAL000000007230	0	41	-1.0	-56.74	357.56	1.30	-55.44
CCCC(NC(=O)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)C1=N[N-]N=N1	REAL000000007230	1	41	-1.0	-56.74	357.51	1.30	-55.44
CCCC(NC(=O)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)C1=NNN=N1	REAL000000007230	1	42	0.0	-21.19	360.94	1.31	-19.88
CCCC(NC(=O)C1=CC=C2SCCC(=O)C2=C1)C1=NN=N[N-]1	REAL000000007231	0	39	-1.0	-52.85	338.78	4.96	-47.89
CCCC(NC(=O)C1=CC=C2SCCC(=O)C2=C1)C1=N[N-]N=N1	REAL000000007231	1	39	-1.0	-52.86	338.73	4.95	-47.91
CCCC(NC(=O)C1=CC=C2SCCC(=O)C2=C1)C1=NNN=N1	REAL000000007231	1	40	0.0	-16.59	342.16	4.96	-11.63
CCCC(NC(=O)C1=CN(C2=CC=C(CC)C=C2)N=N1)C1=NN=N[N-]1	REAL000000007232	0	44	-1.0	-45.76	374.53	4.77	-40.99
CCCC(NC(=O)C1=CN(C2=CC=C(CC)C=C2)N=N1)C1=N[N-]N=N1	REAL000000007232	1	44	-1.0	-45.76	374.47	4.76	-41.00
CCCC(NC(=O)C1=CN(C2=CC=C(CC)C=C2)N=N1)C1=NNN=N1	REAL000000007232	1	45	0.0	-11.10	377.91	4.78	-6.32
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000007233	0	47	-1.0	-49.87	404.95	3.09	-46.78
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000007233	1	47	-1.0	-49.86	404.90	3.08	-46.78
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000007233	1	48	0.0	-15.48	406.54	3.08	-12.39
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)NC(CCC)C2=NN=N[N-]2)=C1	REAL000000007234	0	47	-1.0	-52.74	403.19	3.07	-49.66
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)NC(CCC)C2=N[N-]N=N2)=C1	REAL000000007234	1	47	-1.0	-52.74	403.13	3.06	-49.67
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000007234	1	48	0.0	-18.28	406.57	3.08	-15.20
CCCC(NC(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL000000007235	0	37	-2.0	-88.14	338.38	2.28	-85.86
CCCC(NC(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL000000007235	1	37	-2.0	-88.14	338.32	2.27	-85.86
CCCC(NC(=O)C1=CC(OC2=CC=CC=C2Cl)=CC=N1)C1=NN=N[N-]1	REAL000000007236	0	42	-1.0	-47.50	376.42	5.31	-42.19
CCCC(NC(=O)C1=CC(OC2=CC=CC=C2Cl)=CC=N1)C1=N[N-]N=N1	REAL000000007236	1	42	-1.0	-47.49	376.36	5.30	-42.19
CCCC(NC(=O)C1=CC(OC2=CC=CC=C2Cl)=CC=N1)C1=NNN=N1	REAL000000007236	1	43	0.0	-12.19	379.79	5.32	-6.87
CCCC(NC(=O)CC1CCCC(F)(F)C1)C1=NN=N[N-]1	REAL000000007237	0	41	-1.0	-50.51	329.93	4.72	-45.79
CCCC(NC(=O)CC1CCCC(F)(F)C1)C1=N[N-]N=N1	REAL000000007237	1	41	-1.0	-50.50	329.88	4.72	-45.78
CCCC(NC(=O)CC1CCCC(F)(F)C1)C1=NNN=N1	REAL000000007237	1	42	0.0	-14.01	333.31	4.73	-9.28
CCCC(NC(=O)C(CCC1=CC=CC=C1)CC(C)C)C1=NN=N[N-]1	REAL000000007238	0	53	-1.0	-48.81	413.75	8.76	-40.05
CCCC(NC(=O)C(CCC1=CC=CC=C1)CC(C)C)C1=N[N-]N=N1	REAL000000007238	1	53	-1.0	-48.80	413.69	8.76	-40.05
CCCC(NC(=O)C(CCC1=CC=CC=C1)CC(C)C)C1=NNN=N1	REAL000000007238	1	54	0.0	-11.27	417.45	8.81	-2.46
CCCC(NC(=O)C1=C(CC)N=C2C=C(F)C=CC2=C1)C1=NN=N[N-]1	REAL000000007239	0	43	-1.0	-45.92	356.82	5.44	-40.48
CCCC(NC(=O)C1=C(CC)N=C2C=C(F)C=CC2=C1)C1=N[N-]N=N1	REAL000000007239	1	43	-1.0	-45.92	356.77	5.44	-40.48
CCCC(NC(=O)C1=C(CC)N=C2C=C(F)C=CC2=C1)C1=NNN=N1	REAL000000007239	1	44	0.0	-13.81	360.19	5.45	-8.36
CCCC(NC(=O)C1=CC(F)=CC(N2N=NN=C2C)=C1)C1=NN=N[N-]1	REAL000000007240	0	40	-1.0	-52.31	348.10	3.74	-48.56
CCCC(NC(=O)C1=CC(F)=CC(N2N=NN=C2C)=C1)C1=N[N-]N=N1	REAL000000007240	1	40	-1.0	-52.29	348.05	3.74	-48.56
CCCC(NC(=O)C1=CC(F)=CC(N2N=NN=C2C)=C1)C1=NNN=N1	REAL000000007240	1	41	0.0	-14.37	345.74	3.47	-10.89
CCCC(NC(=O)C1=CC=C2C(=C1)C(=O)CCC2(C)C)C1=NN=N[N-]1	REAL000000007241	0	47	-1.0	-54.95	372.68	6.09	-48.86
CCCC(NC(=O)C1=CC=C2C(=C1)C(=O)CCC2(C)C)C1=N[N-]N=N1	REAL000000007241	1	47	-1.0	-54.95	372.62	6.08	-48.86
CCCC(NC(=O)C1=CC=C2C(=C1)C(=O)CCC2(C)C)C1=NNN=N1	REAL000000007241	1	48	0.0	-18.09	376.06	6.10	-11.99
CCCC(NC(=O)C1=CC2=CN=CC(Br)=C2S1)C1=NN=N[N-]1	REAL000000007242	0	34	-1.0	-43.10	329.16	3.90	-39.20
CCCC(NC(=O)C1=CC2=CN=CC(Br)=C2S1)C1=N[N-]N=N1	REAL000000007242	1	34	-1.0	-43.10	329.10	3.89	-39.21
CCCC(NC(=O)C1=CC2=CN=CC(Br)=C2S1)C1=NNN=N1	REAL000000007242	1	35	0.0	-9.58	332.54	3.91	-5.67
CCCC(NC(=O)C1CCC(=O)N(C2CC2)C1)C1=NN=N[N-]1	REAL000000007243	0	43	-1.0	-46.23	344.60	3.33	-42.90
CCCC(NC(=O)C1CCC(=O)N(C2CC2)C1)C1=N[N-]N=N1	REAL000000007243	1	43	-1.0	-46.23	344.55	3.33	-42.90
CCCC(NC(=O)C1CCC(=O)N(C2CC2)C1)C1=NNN=N1	REAL000000007243	1	44	0.0	-14.44	347.98	3.34	-11.10
CCCC(NC(=O)CC1=CC=C(N2CCOCC2)C=C1)C1=NN=N[N-]1	REAL000000007244	0	48	-1.0	-48.03	382.99	3.15	-44.88
CCCC(NC(=O)CC1=CC=C(N2CCOCC2)C=C1)C1=N[N-]N=N1	REAL000000007244	1	48	-1.0	-48.03	382.93	3.16	-44.87
CCCC(NC(=O)CC1=CC=C(N2CCOCC2)C=C1)C1=NNN=N1	REAL000000007244	1	49	0.0	-13.21	386.36	3.17	-10.05
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL000000007245	0	45	-1.0	-49.03	371.39	4.83	-44.20
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL000000007245	1	45	-1.0	-49.02	371.34	4.82	-44.20
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)C1=NNN=N1	REAL000000007245	1	46	0.0	-11.55	367.57	4.51	-7.05
CCCC(NC(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)C1=NN=N[N-]1	REAL000000007246	0	39	-1.0	-47.58	347.69	6.14	-41.44
CCCC(NC(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)C1=N[N-]N=N1	REAL000000007246	1	39	-1.0	-47.59	347.63	6.13	-41.45
CCCC(NC(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)C1=NNN=N1	REAL000000007246	1	40	0.0	-10.87	351.05	6.15	-4.72
CCCC(NC(=O)C1=CC(Cl)=NC=C1C#N)C1=NN=N[N-]1	REAL000000007247	0	32	-1.0	-46.94	303.94	2.56	-44.38
CCCC(NC(=O)C1=CC(Cl)=NC=C1C#N)C1=N[N-]N=N1	REAL000000007247	1	32	-1.0	-46.94	303.89	2.56	-44.39
CCCC(NC(=O)C1=CC(Cl)=NC=C1C#N)C1=NNN=N1	REAL000000007247	1	33	0.0	-14.03	307.32	2.57	-11.46
CCCC(NC(=O)C1=CC=CC2=C1C(=O)NC2)C1=NN=N[N-]1	REAL000000007248	0	37	-1.0	-65.31	310.94	2.63	-62.68
CCCC(NC(=O)C1=CC=CC2=C1C(=O)NC2)C1=N[N-]N=N1	REAL000000007248	1	37	-1.0	-65.32	310.88	2.62	-62.69
CCCC(NC(=O)C1=CC=CC2=C1C(=O)NC2)C1=NNN=N1	REAL000000007248	1	38	0.0	-23.82	314.32	2.63	-21.18
CCCC(NC(=O)C1CCC(=O)N(CC(F)(F)F)C1)C1=NN=N[N-]1	REAL000000007249	0	42	-1.0	-48.67	353.19	3.22	-45.46
CCCC(NC(=O)C1CCC(=O)N(CC(F)(F)F)C1)C1=N[N-]N=N1	REAL000000007249	1	42	-1.0	-48.67	353.13	3.21	-45.46
CCCC(NC(=O)C1CCC(=O)N(CC(F)(F)F)C1)C1=NNN=N1	REAL000000007249	1	43	0.0	-13.22	349.38	2.89	-10.33
CCCC(NC(=O)C1=CC=C(CC)C(Cl)=C1)C1=NN=N[N-]1	REAL000000007250	0	38	-1.0	-44.19	329.78	5.46	-38.74
CCCC(NC(=O)C1=CC=C(CC)C(Cl)=C1)C1=N[N-]N=N1	REAL000000007250	1	38	-1.0	-44.19	329.73	5.45	-38.75
CCCC(NC(=O)C1=CC=C(CC)C(Cl)=C1)C1=NNN=N1	REAL000000007250	1	39	0.0	-9.13	334.31	5.50	-3.63
CCCC(NC(=O)C1=NC(N2CCOCC2)=NC=C1C)C1=NN=N[N-]1	REAL000000007251	0	46	-1.0	-44.47	371.32	2.79	-41.68
CCCC(NC(=O)C1=NC(N2CCOCC2)=NC=C1C)C1=N[N-]N=N1	REAL000000007251	1	46	-1.0	-44.48	371.26	2.78	-41.70
CCCC(NC(=O)C1=NC(N2CCOCC2)=NC=C1C)C1=NNN=N1	REAL000000007251	1	47	0.0	-10.00	374.70	2.80	-7.20
CCCC(NC(=O)C1=NSC2=CC(Br)=CC=C21)C1=NN=N[N-]1	REAL000000007252	0	34	-1.0	-43.34	326.35	4.28	-39.05
CCCC(NC(=O)C1=NSC2=CC(Br)=CC=C21)C1=N[N-]N=N1	REAL000000007252	1	34	-1.0	-43.34	326.29	4.27	-39.06
CCCC(NC(=O)C1=NSC2=CC(Br)=CC=C21)C1=NNN=N1	REAL000000007252	1	35	0.0	-8.15	329.73	4.29	-3.86
CCCC(NC(=O)C1=CC(Br)=C2OC=CC2=C1)C1=NN=N[N-]1	REAL000000007253	0	35	-1.0	-45.84	322.89	4.61	-41.23
CCCC(NC(=O)C1=CC(Br)=C2OC=CC2=C1)C1=N[N-]N=N1	REAL000000007253	1	35	-1.0	-45.84	322.83	4.60	-41.24
CCCC(NC(=O)C1=CC(Br)=C2OC=CC2=C1)C1=NNN=N1	REAL000000007253	1	36	0.0	-8.90	319.08	4.28	-4.61
CCCC(NC(=O)C1=C(Cl)C2=NC=CC=C2S1)C1=NN=N[N-]1	REAL000000007254	0	34	-1.0	-50.78	321.61	3.68	-47.10
CCCC(NC(=O)C1=C(Cl)C2=NC=CC=C2S1)C1=N[N-]N=N1	REAL000000007254	1	34	-1.0	-50.79	321.55	3.67	-47.12
CCCC(NC(=O)C1=C(Cl)C2=NC=CC=C2S1)C1=NNN=N1	REAL000000007254	1	35	0.0	-15.01	324.98	3.69	-11.33
CCCC(NC(=O)CCC1=CC=C(C#N)C=C1F)C1=NN=N[N-]1	REAL000000007255	0	39	-1.0	-45.41	346.68	5.55	-39.86
CCCC(NC(=O)CCC1=CC=C(C#N)C=C1F)C1=N[N-]N=N1	REAL000000007255	1	39	-1.0	-45.40	346.62	5.55	-39.86
CCCC(NC(=O)CCC1=CC=C(C#N)C=C1F)C1=NNN=N1	REAL000000007255	1	40	0.0	-14.28	350.03	5.57	-8.71
CCCC(NC(=O)C1=CC2=C(C=C1F)OCC(=O)N2)C1=NN=N[N-]1	REAL000000007256	0	38	-1.0	-49.76	329.60	0.96	-48.80
CCCC(NC(=O)C1=CC2=C(C=C1F)OCC(=O)N2)C1=N[N-]N=N1	REAL000000007256	1	38	-1.0	-49.75	329.54	0.95	-48.80
CCCC(NC(=O)C1=CC2=C(C=C1F)OCC(=O)N2)C1=NNN=N1	REAL000000007256	1	39	0.0	-15.67	332.98	0.97	-14.70
CCCC(NC(=O)C1=CN=C2CCCCC2=C1)C1=NN=N[N-]1	REAL000000007257	0	41	-1.0	-45.61	332.34	4.34	-41.27
CCCC(NC(=O)C1=CN=C2CCCCC2=C1)C1=N[N-]N=N1	REAL000000007257	1	41	-1.0	-45.61	332.28	4.33	-41.28
CCCC(NC(=O)C1=CN=C2CCCCC2=C1)C1=NNN=N1	REAL000000007257	1	42	0.0	-10.56	335.71	4.35	-6.21
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1CC)C1=NN=N[N-]1	REAL000000007258	0	40	-1.0	-44.47	336.54	5.70	-38.78
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1CC)C1=N[N-]N=N1	REAL000000007258	1	40	-1.0	-44.48	336.48	5.70	-38.78
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1CC)C1=NNN=N1	REAL000000007258	1	41	0.0	-10.34	340.24	5.74	-4.60
CCCC(NC(=O)C1CCC1C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL000000007259	0	42	-1.0	-42.98	347.68	6.29	-36.69
CCCC(NC(=O)C1CCC1C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL000000007259	1	42	-1.0	-42.97	347.62	6.28	-36.69
CCCC(NC(=O)C1CCC1C1=CC=CC=C1Cl)C1=NNN=N1	REAL000000007259	1	43	0.0	-8.47	354.22	6.33	-2.13
CCCC(NC(=O)C1=CC=C2C(=C1)C=CN2CCOC)C1=NN=N[N-]1	REAL000000007260	0	46	-1.0	-50.70	383.60	5.36	-45.34
CCCC(NC(=O)C1=CC=C2C(=C1)C=CN2CCOC)C1=N[N-]N=N1	REAL000000007260	1	46	-1.0	-50.70	383.54	5.35	-45.36
CCCC(NC(=O)C1=CC=C2C(=C1)C=CN2CCOC)C1=NNN=N1	REAL000000007260	1	47	0.0	-13.66	386.98	5.37	-8.29
CCCC(NC(=O)C1=CC=C2C(=C1)C=CN2C(C)C)C1=NN=N[N-]1	REAL000000007261	0	45	-1.0	-50.86	367.96	6.79	-44.06
CCCC(NC(=O)C1=CC=C2C(=C1)C=CN2C(C)C)C1=N[N-]N=N1	REAL000000007261	1	45	-1.0	-50.85	367.90	6.79	-44.05
CCCC(NC(=O)C1=CC=C2C(=C1)C=CN2C(C)C)C1=NNN=N1	REAL000000007261	1	46	0.0	-13.52	371.33	6.80	-6.72
CCCC(NC(=O)C=CC1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL000000007262	0	39	-1.0	-48.12	334.93	3.52	-44.60
CCCC(NC(=O)C=CC1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL000000007262	1	39	-1.0	-48.12	334.87	3.51	-44.61
CCCC(NC(=O)C=CC1=CC=C2OCOC2=C1)C1=NNN=N1	REAL000000007262	1	40	0.0	-14.08	338.30	3.53	-10.55
CCCC(NC(=O)C1=CC=C2C=NC=C(Br)C2=C1)C1=NN=N[N-]1	REAL000000007263	0	37	-1.0	-49.61	334.05	4.66	-44.96
CCCC(NC(=O)C1=CC=C2C=NC=C(Br)C2=C1)C1=N[N-]N=N1	REAL000000007263	1	37	-1.0	-49.62	334.00	4.65	-44.97
CCCC(NC(=O)C1=CC=C2C=NC=C(Br)C2=C1)C1=NNN=N1	REAL000000007263	1	38	0.0	-15.01	337.43	4.66	-10.35
C=CCOCC(C(=O)NC(CCC)C1=NN=N[N-]1)C(C)(C)C	REAL000000007264	0	48	-1.0	-42.75	369.26	4.90	-37.85
C=CCOCC(C(=O)NC(CCC)C1=N[N-]N=N1)C(C)(C)C	REAL000000007264	1	48	-1.0	-42.75	369.20	4.89	-37.85
C=CCOCC(C(=O)NC(CCC)C1=NNN=N1)C(C)(C)C	REAL000000007264	1	49	0.0	-5.52	365.54	4.61	-0.91
CCCC(NC(=O)C1CC2(C)CCCN2S1(=O)=O)C1=NN=N[N-]1	REAL000000007265	0	44	-1.0	-49.94	359.16	-0.07	-50.02
CCCC(NC(=O)C1CC2(C)CCCN2S1(=O)=O)C1=N[N-]N=N1	REAL000000007265	1	44	-1.0	-49.94	359.10	-0.07	-50.01
CCCC(NC(=O)C1CC2(C)CCCN2S1(=O)=O)C1=NNN=N1	REAL000000007265	1	45	0.0	-17.82	362.54	-0.06	-17.88
CCCC(NC(=O)C1=CC(C)=NN1C1CCC1)C1=NN=N[N-]1	REAL000000007266	0	42	-1.0	-44.23	344.05	4.19	-40.04
CCCC(NC(=O)C1=CC(C)=NN1C1CCC1)C1=N[N-]N=N1	REAL000000007266	1	42	-1.0	-44.23	343.99	4.19	-40.04
CCCC(NC(=O)C1=CC(C)=NN1C1CCC1)C1=NNN=N1	REAL000000007266	1	43	0.0	-10.90	347.41	4.19	-6.71
CCCC(NC(=O)C1=CC=NN1CCC(F)(F)F)C1=NN=N[N-]1	REAL000000007267	0	38	-1.0	-42.95	336.01	3.37	-39.58
CCCC(NC(=O)C1=CC=NN1CCC(F)(F)F)C1=N[N-]N=N1	REAL000000007267	1	38	-1.0	-42.95	335.95	3.37	-39.58
CCCC(NC(=O)C1=CC=NN1CCC(F)(F)F)C1=NNN=N1	REAL000000007267	1	39	0.0	-11.20	339.43	3.37	-7.83
CCCC(NC(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1OC)C1=NN=N[N-]1	REAL000000007268	0	43	-1.0	-48.84	370.81	5.60	-43.24
CCCC(NC(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1OC)C1=N[N-]N=N1	REAL000000007268	1	43	-1.0	-48.85	370.75	5.60	-43.24
CCCC(NC(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1OC)C1=NNN=N1	REAL000000007268	1	44	0.0	-12.00	374.22	5.61	-6.39
CCCC(NC(=O)C1=CC(C2=C(Cl)C=NN2C)=NO1)C1=NN=N[N-]1	REAL000000007269	0	38	-1.0	-41.68	348.59	2.66	-39.02
CCCC(NC(=O)C1=CC(C2=C(Cl)C=NN2C)=NO1)C1=N[N-]N=N1	REAL000000007269	1	38	-1.0	-41.67	348.53	2.66	-39.01
CCCC(NC(=O)C1=CC(C2=C(Cl)C=NN2C)=NO1)C1=NNN=N1	REAL000000007269	1	39	0.0	-11.48	351.97	2.67	-8.81
CCCC(NC(=O)C=CC1=CC=C(Cl)C=C1F)C1=NN=N[N-]1	REAL000000007270	0	36	-1.0	-47.43	331.12	5.39	-42.04
CCCC(NC(=O)C=CC1=CC=C(Cl)C=C1F)C1=N[N-]N=N1	REAL000000007270	1	36	-1.0	-47.43	331.06	5.38	-42.05
CCCC(NC(=O)C=CC1=CC=C(Cl)C=C1F)C1=NNN=N1	REAL000000007270	1	37	0.0	-12.93	334.50	5.40	-7.52
CCCC(NC(=O)C(COC(C)C)NC(C)=O)C1=NN=N[N-]1	REAL000000007271	0	45	-1.0	-55.91	366.80	1.66	-54.25
CCCC(NC(=O)C(COC(C)C)NC(C)=O)C1=N[N-]N=N1	REAL000000007271	1	45	-1.0	-55.91	366.74	1.66	-54.26
CCCC(NC(=O)C(COC(C)C)NC(C)=O)C1=NNN=N1	REAL000000007271	1	46	0.0	-16.94	369.88	1.67	-15.27
CCCCOC1=CC=C(C=CC(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000007272	0	49	-1.0	-46.54	403.16	6.68	-39.86
CCCCOC1=CC=C(C=CC(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000007272	1	49	-1.0	-46.54	403.10	6.67	-39.86
CCCCOC1=CC=C(C=CC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000007272	1	50	0.0	-8.64	399.33	6.36	-2.28
CCCC(NC(=O)CC1=CC=C2C=C(OC)C=CC2=C1)C1=NN=N[N-]1	REAL000000007273	0	45	-1.0	-49.01	374.44	5.86	-43.15
CCCC(NC(=O)CC1=CC=C2C=C(OC)C=CC2=C1)C1=N[N-]N=N1	REAL000000007273	1	45	-1.0	-49.01	374.38	5.86	-43.15
CCCC(NC(=O)CC1=CC=C2C=C(OC)C=CC2=C1)C1=NNN=N1	REAL000000007273	1	46	0.0	-14.92	377.82	5.87	-9.05
CCCC(NC(=O)C(CC1=CC=CC=C1)CC(C)C)C1=NN=N[N-]1	REAL000000007274	0	50	-1.0	-46.02	389.64	7.64	-38.38
CCCC(NC(=O)C(CC1=CC=CC=C1)CC(C)C)C1=N[N-]N=N1	REAL000000007274	1	50	-1.0	-46.01	389.58	7.64	-38.38
CCCC(NC(=O)C(CC1=CC=CC=C1)CC(C)C)C1=NNN=N1	REAL000000007274	1	51	0.0	-8.82	393.14	7.50	-1.31
CCCC(NC(=O)C1=CC(F)=C(Br)C(F)=C1)C1=NN=N[N-]1	REAL000000007275	0	32	-1.0	-40.48	307.02	4.37	-36.11
CCCC(NC(=O)C1=CC(F)=C(Br)C(F)=C1)C1=N[N-]N=N1	REAL000000007275	1	32	-1.0	-40.48	306.97	4.36	-36.12
CCCC(NC(=O)C1=CC(F)=C(Br)C(F)=C1)C1=NNN=N1	REAL000000007275	1	33	0.0	-6.66	303.22	4.05	-2.61
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=NC=C1Cl)C1=NN=N[N-]1	REAL000000007276	0	38	-1.0	-50.15	336.45	4.33	-45.83
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=NC=C1Cl)C1=N[N-]N=N1	REAL000000007276	1	38	-1.0	-50.15	336.40	4.32	-45.83
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=NC=C1Cl)C1=NNN=N1	REAL000000007276	1	39	0.0	-13.09	339.84	4.34	-8.75
CCCC(NC(=O)C1=C2C=CC=CC2=C(F)C=N1)C1=NN=N[N-]1	REAL000000007277	0	37	-1.0	-44.35	318.21	4.20	-40.15
CCCC(NC(=O)C1=C2C=CC=CC2=C(F)C=N1)C1=N[N-]N=N1	REAL000000007277	1	37	-1.0	-44.35	318.15	4.20	-40.15
CCCC(NC(=O)C1=C2C=CC=CC2=C(F)C=N1)C1=NNN=N1	REAL000000007277	1	38	0.0	-8.92	321.58	4.21	-4.70
CCCC(NC(=O)C=CC1=CC=C(C(=O)OC)N=C1)C1=NN=N[N-]1	REAL000000007278	0	41	-1.0	-47.86	359.50	3.68	-44.18
CCCC(NC(=O)C=CC1=CC=C(C(=O)OC)N=C1)C1=N[N-]N=N1	REAL000000007278	1	41	-1.0	-47.85	359.44	3.68	-44.17
CCCC(NC(=O)C=CC1=CC=C(C(=O)OC)N=C1)C1=NNN=N1	REAL000000007278	1	42	0.0	-15.10	362.87	3.69	-11.41
CCCC(NC(=O)CC1=CC=C(C(F)(F)F)C=C1C)C1=NN=N[N-]1	REAL000000007279	0	41	-1.0	-45.39	354.80	5.81	-39.58
CCCC(NC(=O)CC1=CC=C(C(F)(F)F)C=C1C)C1=N[N-]N=N1	REAL000000007279	1	41	-1.0	-45.39	354.74	5.80	-39.59
CCCC(NC(=O)CC1=CC=C(C(F)(F)F)C=C1C)C1=NNN=N1	REAL000000007279	1	42	0.0	-9.59	349.38	5.43	-4.16
CCCC(NC(=O)CC(C)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL000000007280	0	41	-1.0	-45.05	346.52	5.69	-39.36
CCCC(NC(=O)CC(C)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL000000007280	1	41	-1.0	-45.04	346.46	5.69	-39.35
CCCC(NC(=O)CC(C)C1=CC=C(F)C(F)=C1)C1=NNN=N1	REAL000000007280	1	42	0.0	-11.49	349.89	5.70	-5.80
CCCC(NC(=O)CC1=CN(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL000000007281	0	44	-1.0	-48.76	361.74	4.13	-44.63
CCCC(NC(=O)CC1=CN(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL000000007281	1	44	-1.0	-48.76	361.68	4.13	-44.63
CCCC(NC(=O)CC1=CN(C(C)(C)C)N=C1)C1=NNN=N1	REAL000000007281	1	45	0.0	-11.76	357.93	3.81	-7.95
CCCC(NC(=O)C1=CC(C2=NNC=C2)=CC=C1F)C1=NN=N[N-]1	REAL000000007282	0	39	-1.0	-54.93	337.77	3.75	-51.18
CCCC(NC(=O)C1=CC(C2=NNC=C2)=CC=C1F)C1=N[N-]N=N1	REAL000000007282	1	39	-1.0	-54.93	337.71	3.74	-51.19
CCCC(NC(=O)C1=CC(C2=NNC=C2)=CC=C1F)C1=NNN=N1	REAL000000007282	1	40	0.0	-13.47	333.91	3.43	-10.04
CCCC(NC(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=NN=N[N-]1	REAL000000007283	0	32	-2.0	-101.93	302.18	3.75	-98.18
CCCC(NC(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=N[N-]N=N1	REAL000000007283	1	32	-2.0	-101.93	302.12	3.75	-98.18
CCCC(NC(=O)C1=C(CC)N=C(C2=NNC=N2)S1)C1=NN=N[N-]1	REAL000000007284	0	40	-1.0	-50.63	356.71	2.98	-47.65
CCCC(NC(=O)C1=C(CC)N=C(C2=NNC=N2)S1)C1=N[N-]N=N1	REAL000000007284	1	40	-1.0	-50.63	356.65	2.97	-47.66
CCCC(NC(=O)C1=C(CC)N=C(C2=NNC=N2)S1)C1=NNN=N1	REAL000000007284	1	41	0.0	-16.63	360.08	2.99	-13.64
CCCC(NC(=O)C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)C1=NN=N[N-]1	REAL000000007285	0	41	-1.0	-47.67	370.37	4.12	-43.54
CCCC(NC(=O)C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)C1=N[N-]N=N1	REAL000000007285	1	41	-1.0	-47.66	370.31	4.11	-43.55
CCCC(NC(=O)C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)C1=NNN=N1	REAL000000007285	1	42	0.0	-14.20	373.74	4.13	-10.07
CCCC(NC(=O)C1=C2N=CNC2=CC(Br)=C1)C1=NN=N[N-]1	REAL000000007286	0	35	-1.0	-55.63	320.80	4.07	-51.56
CCCC(NC(=O)C1=C2N=CNC2=CC(Br)=C1)C1=N[N-]N=N1	REAL000000007286	1	35	-1.0	-55.63	320.74	4.06	-51.57
CCCC(NC(=O)C1=CC=C2NC(C3CC3)=NC2=C1)C1=NN=N[N-]1	REAL000000007287	0	42	-1.0	-54.17	351.97	4.70	-49.47
CCCC(NC(=O)C1=CC=C2NC(C3CC3)=NC2=C1)C1=N[N-]N=N1	REAL000000007287	1	42	-1.0	-54.17	351.91	4.70	-49.47
CCCC(NC(=O)C1=CC=C2NC(C3CC3)=NC2=C1)C1=NNN=N1	REAL000000007287	1	43	0.0	-17.77	355.35	4.71	-13.05
CCCC(NC(=O)CNC(=O)N(C)CC1=CC=CO1)C1=NN=N[N-]1	REAL000000007288	0	44	-1.0	-48.08	372.26	2.05	-46.03
CCCC(NC(=O)CNC(=O)N(C)CC1=CC=CO1)C1=N[N-]N=N1	REAL000000007288	1	44	-1.0	-48.08	372.21	2.06	-46.03
CCCC(NC(=O)CNC(=O)N(C)CC1=CC=CO1)C1=NNN=N1	REAL000000007288	1	45	0.0	-15.98	375.64	2.06	-13.92
CCCC(NC(=O)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)C1=NN=N[N-]1	REAL000000007289	0	45	-1.0	-53.92	385.96	6.28	-47.64
CCCC(NC(=O)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)C1=N[N-]N=N1	REAL000000007289	1	45	-1.0	-53.92	385.90	6.28	-47.64
CCCC(NC(=O)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)C1=NNN=N1	REAL000000007289	1	46	0.0	-18.06	389.34	6.29	-11.78
CCCC(NC(=O)C1=C2CCN(C(=O)OC(C)(C)C)CC2=NN1)C1=NN=N[N-]1	REAL000000007290	0	53	-1.0	-46.08	420.20	3.27	-42.81
CCCC(NC(=O)C1=C2CCN(C(=O)OC(C)(C)C)CC2=NN1)C1=N[N-]N=N1	REAL000000007290	1	53	-1.0	-46.08	420.14	3.27	-42.81
CCCC(NC(=O)C1=C2CCN(C(=O)OC(C)(C)C)CC2=NN1)C1=NNN=N1	REAL000000007290	1	54	0.0	-11.00	416.40	2.95	-8.04
CCCC(NC(=O)C1CCC2=C(C1)C(C)=NN2)C1=NN=N[N-]1	REAL000000007291	0	42	-1.0	-47.88	339.42	3.03	-44.85
CCCC(NC(=O)C1CCC2=C(C1)C(C)=NN2)C1=N[N-]N=N1	REAL000000007291	1	42	-1.0	-47.88	339.36	3.02	-44.86
CCCC(NC(=O)C1=CC=C2C(=C1)N=NN2CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000007292	0	50	-1.0	-51.21	421.49	6.75	-44.45
CCCC(NC(=O)C1=CC=C2C(=C1)N=NN2CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000007292	1	50	-1.0	-51.21	421.43	6.75	-44.45
CCCC(NC(=O)C1=CC=C2C(=C1)N=NN2CCC1=CC=CC=C1)C1=NNN=N1	REAL000000007292	1	51	0.0	-18.09	424.86	6.76	-11.33
CCCC(NC(=O)CC1=CC=C2NC(=O)CCC2=C1)C1=NN=N[N-]1	REAL000000007293	0	43	-1.0	-48.25	358.81	3.50	-44.75
CCCC(NC(=O)CC1=CC=C2NC(=O)CCC2=C1)C1=N[N-]N=N1	REAL000000007293	1	43	-1.0	-48.25	358.75	3.49	-44.76
CCCC(NC(=O)CC1=CC=C2NC(=O)CCC2=C1)C1=NNN=N1	REAL000000007293	1	44	0.0	-16.33	362.19	3.51	-12.82
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(SC)=C1)C1=NN=N[N-]1	REAL000000007294	0	38	-1.0	-43.84	338.10	5.18	-38.66
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(SC)=C1)C1=N[N-]N=N1	REAL000000007294	1	38	-1.0	-43.83	338.04	5.18	-38.65
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(SC)=C1)C1=NNN=N1	REAL000000007294	1	39	0.0	-13.95	341.47	5.19	-8.76
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CO1)C1=NN=N[N-]1	REAL000000007295	0	34	-1.0	-52.25	315.03	-3.45	-55.70
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CO1)C1=N[N-]N=N1	REAL000000007295	1	34	-1.0	-52.25	314.97	-3.46	-55.71
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CO1)C1=NNN=N1	REAL000000007295	1	35	0.0	-15.18	311.21	-3.77	-18.95
CCCC(NC(=O)C1=C2C=C(C#N)C=CN2N=C1)C1=NN=N[N-]1	REAL000000007296	0	36	-1.0	-51.82	322.77	3.76	-48.06
CCCC(NC(=O)C1=C2C=C(C#N)C=CN2N=C1)C1=N[N-]N=N1	REAL000000007296	1	36	-1.0	-51.82	322.72	3.76	-48.06
CCCC(NC(=O)C1=C2C=C(C#N)C=CN2N=C1)C1=NNN=N1	REAL000000007296	1	37	0.0	-12.69	318.97	3.44	-9.25
CCCC(NC(=O)C1CCC2=NC(C(F)(F)F)=CN2C1)C1=NN=N[N-]1	REAL000000007297	0	42	-1.0	-44.97	360.18	4.74	-40.22
CCCC(NC(=O)C1CCC2=NC(C(F)(F)F)=CN2C1)C1=N[N-]N=N1	REAL000000007297	1	42	-1.0	-44.96	360.13	4.74	-40.23
CCCC(NC(=O)C1CCC2=NC(C(F)(F)F)=CN2C1)C1=NNN=N1	REAL000000007297	1	43	0.0	-15.16	363.56	4.75	-10.41
CCCC(NC(=O)[C@H](C)ONC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007298	0	46	-1.0	-54.29	377.58	2.57	-51.72
CCCC(NC(=O)[C@H](C)ONC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007298	1	46	-1.0	-54.29	377.52	2.56	-51.73
CCCC(NC(=O)[C@H](C)ONC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007298	1	47	0.0	-19.73	380.95	2.59	-17.14
CCCC(NC(=O)C(O)C1=CC=C(F)C(Cl)=C1F)C1=NN=N[N-]1	REAL000000007299	0	36	-1.0	-44.48	329.61	3.09	-41.40
CCCC(NC(=O)C(O)C1=CC=C(F)C(Cl)=C1F)C1=N[N-]N=N1	REAL000000007299	1	36	-1.0	-44.48	329.56	3.08	-41.40
CCCC(NC(=O)C(O)C1=CC=C(F)C(Cl)=C1F)C1=NNN=N1	REAL000000007299	1	37	0.0	-10.12	332.96	3.10	-7.02
CCCC(NC(=O)C1=C2C[C@@H](C)O[C@@H](C)C2=NN1)C1=NN=N[N-]1	REAL000000007300	0	43	-1.0	-44.55	351.06	1.65	-42.90
CCCC(NC(=O)C1=C2C[C@@H](C)O[C@@H](C)C2=NN1)C1=N[N-]N=N1	REAL000000007300	1	43	-1.0	-44.54	351.00	1.64	-42.90
CCCC(NC(=O)C1=C2C[C@@H](C)O[C@@H](C)C2=NN1)C1=NNN=N1	REAL000000007300	1	44	0.0	-11.00	354.42	1.66	-9.34
CCCC(NC(=O)CCC1=C(Br)C=CS1)C1=NN=N[N-]1	REAL000000007301	0	35	-1.0	-43.76	330.06	4.78	-38.99
CCCC(NC(=O)CCC1=C(Br)C=CS1)C1=N[N-]N=N1	REAL000000007301	1	35	-1.0	-43.75	330.00	4.77	-38.99
CCCC(NC(=O)CCC1=C(Br)C=CS1)C1=NNN=N1	REAL000000007301	1	36	0.0	-9.95	333.43	4.78	-5.17
CCCC(NC(=O)CC1=C(Br)C=C2N=CNC2=C1)C1=NN=N[N-]1	REAL000000007302	0	38	-1.0	-54.73	342.32	4.44	-50.29
CCCC(NC(=O)CC1=C(Br)C=C2N=CNC2=C1)C1=N[N-]N=N1	REAL000000007302	1	38	-1.0	-54.73	342.26	4.43	-50.29
CCCC(NC(=O)[C@H]1CCC[C@@H](C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000007303	0	53	-1.0	-51.69	409.73	6.56	-45.13
CCCC(NC(=O)[C@H]1CCC[C@@H](C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000007303	1	53	-1.0	-51.70	409.68	6.56	-45.13
CCCC(NC(=O)[C@H]1CCC[C@@H](C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007303	1	54	0.0	-15.20	413.08	6.57	-8.63
CCCC(NC(=O)C1CCCC(F)(F)CC1)C1=NN=N[N-]1	REAL000000007304	0	41	-1.0	-46.90	319.77	4.49	-42.41
CCCC(NC(=O)C1CCCC(F)(F)CC1)C1=N[N-]N=N1	REAL000000007304	1	41	-1.0	-46.89	319.71	4.48	-42.42
CCCC(NC(=O)C1CCCC(F)(F)CC1)C1=NNN=N1	REAL000000007304	1	42	0.0	-9.55	315.92	4.17	-5.39
CCCC(NC(=O)C1CC(C2=CC=CC=C2F)=NO1)C1=NN=N[N-]1	REAL000000007305	0	40	-1.0	-54.96	346.95	5.10	-49.86
CCCC(NC(=O)C1CC(C2=CC=CC=C2F)=NO1)C1=N[N-]N=N1	REAL000000007305	1	40	-1.0	-54.96	346.89	5.10	-49.86
CCCC(NC(=O)C1CC(C2=CC=CC=C2F)=NO1)C1=NNN=N1	REAL000000007305	1	41	0.0	-18.60	343.17	4.69	-13.91
CCCC(NC(=O)C1=CC=C(C2CC2(F)F)C=C1)C1=NN=N[N-]1	REAL000000007306	0	39	-1.0	-47.85	335.83	5.88	-41.97
CCCC(NC(=O)C1=CC=C(C2CC2(F)F)C=C1)C1=N[N-]N=N1	REAL000000007306	1	39	-1.0	-47.85	335.77	5.88	-41.97
CCCC(NC(=O)C1=CC=C(C2CC2(F)F)C=C1)C1=NNN=N1	REAL000000007306	1	40	0.0	-12.82	339.20	5.89	-6.93
CCCC(NC(=O)CCCCCC(=O)NC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000007307	0	51	-1.0	-56.42	418.65	5.74	-50.68
CCCC(NC(=O)CCCCCC(=O)NC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000007307	1	51	-1.0	-56.42	418.59	5.74	-50.68
CCCC(NC(=O)CCCCCC(=O)NC1=CC=CC=C1)C1=NNN=N1	REAL000000007307	1	52	0.0	-19.95	422.03	5.75	-14.20
CCCC(NC(=O)C1=C2C=NSC2=CC=C1)C1=NN=N[N-]1	REAL000000007308	0	34	-1.0	-48.82	302.00	3.72	-45.11
CCCC(NC(=O)C1=C2C=NSC2=CC=C1)C1=N[N-]N=N1	REAL000000007308	1	34	-1.0	-48.82	301.94	3.72	-45.10
CCCC(NC(=O)C1=C2C=NSC2=CC=C1)C1=NNN=N1	REAL000000007308	1	35	0.0	-14.74	305.37	3.72	-11.02
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)C=C1Cl)C1=NN=N[N-]1	REAL000000007309	0	38	-1.0	-54.77	347.52	1.70	-53.07
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)C=C1Cl)C1=N[N-]N=N1	REAL000000007309	1	38	-1.0	-54.77	347.47	1.70	-53.07
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)C=C1Cl)C1=NNN=N1	REAL000000007309	1	39	0.0	-19.18	350.90	1.71	-17.47
CCCC(NC(=O)C1=CC(F)=C(Br)C(F)=C1N)C1=NN=N[N-]1	REAL000000007310	0	34	-1.0	-39.18	316.66	2.61	-36.57
CCCC(NC(=O)C1=CC(F)=C(Br)C(F)=C1N)C1=N[N-]N=N1	REAL000000007310	1	34	-1.0	-39.18	316.60	2.61	-36.57
CCCC(NC(=O)C1=CC(F)=C(Br)C(F)=C1N)C1=NNN=N1	REAL000000007310	1	35	0.0	-8.62	320.03	2.62	-6.01
CCCC(NC(=O)C1=NOC(CNC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000007311	0	48	-1.0	-45.62	401.49	1.52	-44.10
CCCC(NC(=O)C1=NOC(CNC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000007311	1	48	-1.0	-45.61	401.44	1.52	-44.09
CCCC(NC(=O)C1=NOC(CNC(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000007311	1	49	0.0	-11.57	404.87	1.53	-10.04
CCCC(NC(=O)C1=NC(C2CC2)=NC=C1Cl)C1=NN=N[N-]1	REAL000000007312	0	37	-1.0	-43.43	331.69	3.89	-39.55
CCCC(NC(=O)C1=NC(C2CC2)=NC=C1Cl)C1=N[N-]N=N1	REAL000000007312	1	37	-1.0	-43.43	331.64	3.89	-39.54
CCCC(NC(=O)C1=NC(C2CC2)=NC=C1Cl)C1=NNN=N1	REAL000000007312	1	38	0.0	-8.83	335.07	3.89	-4.94
CCCC(NC(=O)C1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL000000007313	0	54	-1.0	-52.97	428.69	1.72	-51.25
CCCC(NC(=O)C1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL000000007313	1	54	-1.0	-52.97	428.63	1.72	-51.24
CCCC(NC(=O)C1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2)C1=NNN=N1	REAL000000007313	1	55	0.0	-17.09	432.20	1.74	-15.35
CCCC(NC(=O)C1=CC=C2C=C(N(C)C)C=CC2=C1)C1=NN=N[N-]1	REAL000000007314	0	46	-1.0	-49.23	372.72	6.31	-42.93
CCCC(NC(=O)C1=CC=C2C=C(N(C)C)C=CC2=C1)C1=N[N-]N=N1	REAL000000007314	1	46	-1.0	-49.24	372.66	6.31	-42.93
CCCC(NC(=O)C1=CC=C2C=C(N(C)C)C=CC2=C1)C1=NNN=N1	REAL000000007314	1	47	0.0	-12.39	375.13	6.31	-6.08
CCCC(NC(=O)CC1(OC)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000007315	0	53	-1.0	-52.31	421.18	3.42	-48.89
CCCC(NC(=O)CC1(OC)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000007315	1	53	-1.0	-52.31	421.12	3.42	-48.89
CCCC(NC(=O)CC1(OC)CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007315	1	54	0.0	-17.98	420.57	2.36	-15.62
C#CC1=CC=C(C2CC2C(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000007316	0	41	-1.0	-51.14	346.16	6.77	-44.38
C#CC1=CC=C(C2CC2C(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000007316	1	41	-1.0	-51.14	346.10	6.77	-44.37
C#CC1=CC=C(C2CC2C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000007316	1	42	0.0	-12.92	349.53	6.78	-6.14
CCCC(NC(=O)C1=C2C=NN(C)C2=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL000000007317	0	44	-1.0	-46.71	366.03	4.76	-41.96
CCCC(NC(=O)C1=C2C=NN(C)C2=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL000000007317	1	44	-1.0	-46.71	365.97	4.76	-41.95
CCCC(NC(=O)C1=C2C=NN(C)C2=NC(C2CC2)=C1)C1=NNN=N1	REAL000000007317	1	45	0.0	-10.47	362.21	4.45	-6.03
CCCC(NC(=O)C=CC1=CC=C(OC)C(OC)=C1OC)C1=NN=N[N-]1	REAL000000007318	0	48	-1.0	-51.15	402.82	4.15	-46.99
CCCC(NC(=O)C=CC1=CC=C(OC)C(OC)=C1OC)C1=N[N-]N=N1	REAL000000007318	1	48	-1.0	-51.15	402.76	4.14	-47.00
CCCC(NC(=O)C=CC1=CC=C(OC)C(OC)=C1OC)C1=NNN=N1	REAL000000007318	1	49	0.0	-16.38	406.19	4.16	-12.22
CCCC(NC(=O)C1=C2C(=O)NCCN2N=C1)C1=NN=N[N-]1	REAL000000007319	0	37	-1.0	-59.17	313.40	0.39	-58.78
CCCC(NC(=O)C1=C2C(=O)NCCN2N=C1)C1=N[N-]N=N1	REAL000000007319	1	37	-1.0	-59.16	313.34	0.39	-58.77
CCCC(NC(=O)C1=C2C(=O)NCCN2N=C1)C1=NNN=N1	REAL000000007319	1	38	0.0	-21.32	316.75	0.40	-20.92
CC=CC1=CC=C(OCC(=O)NC(CCC)C2=NN=N[N-]2)C(OC)=C1	REAL000000007320	0	47	-1.0	-53.49	389.91	5.96	-47.53
CC=CC1=CC=C(OCC(=O)NC(CCC)C2=N[N-]N=N2)C(OC)=C1	REAL000000007320	1	47	-1.0	-53.47	389.85	5.96	-47.51
CC=CC1=CC=C(OCC(=O)NC(CCC)C2=NNN=N2)C(OC)=C1	REAL000000007320	1	48	0.0	-17.57	393.28	5.97	-11.60
CCCC(NC(=O)CC1CC(NC(=O)OC(C)(C)C)CCO1)C1=NN=N[N-]1	REAL000000007321	0	56	-1.0	-49.36	434.93	3.47	-45.89
CCCC(NC(=O)CC1CC(NC(=O)OC(C)(C)C)CCO1)C1=N[N-]N=N1	REAL000000007321	1	56	-1.0	-49.35	434.88	3.46	-45.89
CCCC(NC(=O)CC1CC(NC(=O)OC(C)(C)C)CCO1)C1=NNN=N1	REAL000000007321	1	57	0.0	-13.19	434.96	2.65	-10.54
CCCC(NC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007322	0	56	-1.0	-57.57	419.48	4.93	-52.64
CCCC(NC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007322	1	56	-1.0	-57.57	419.42	4.93	-52.64
CCCC(NC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007322	1	57	0.0	-13.72	424.19	4.92	-8.80
CCCC(NC(=O)C1=CC2=C(CCOC2)N=C1Cl)C1=NN=N[N-]1	REAL000000007323	0	39	-1.0	-48.56	335.99	2.37	-46.19
CCCC(NC(=O)C1=CC2=C(CCOC2)N=C1Cl)C1=N[N-]N=N1	REAL000000007323	1	39	-1.0	-48.56	335.93	2.37	-46.19
CCCC(NC(=O)C1=CC2=C(CCOC2)N=C1Cl)C1=NNN=N1	REAL000000007323	1	40	0.0	-14.57	339.37	2.38	-12.19
CCCC(NC(=O)C1CCC(OC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL000000007324	0	49	-1.0	-49.18	379.92	6.17	-43.00
CCCC(NC(=O)C1CCC(OC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL000000007324	1	49	-1.0	-49.17	379.86	6.18	-43.00
CCCC(NC(=O)C1CCC(OC2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000007324	1	50	0.0	-14.10	383.29	6.18	-7.92
CCCC(NC(=O)C1=CC=C(CC2=NN=C(C)O2)C=C1)C1=NN=N[N-]1	REAL000000007325	0	43	-1.0	-54.17	369.26	1.02	-53.15
CCCC(NC(=O)C1=CC=C(CC2=NN=C(C)O2)C=C1)C1=N[N-]N=N1	REAL000000007325	1	43	-1.0	-54.17	369.20	1.02	-53.15
CCCC(NC(=O)C1=CC=C(CC2=NN=C(C)O2)C=C1)C1=NNN=N1	REAL000000007325	1	44	0.0	-16.85	372.64	1.03	-15.82
CCCC(NC(=O)C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1=NN=N[N-]1	REAL000000007326	0	59	-1.0	-50.40	448.13	6.26	-44.15
CCCC(NC(=O)C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1=N[N-]N=N1	REAL000000007326	1	59	-1.0	-50.41	448.08	6.25	-44.15
CCCC(NC(=O)C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1=NNN=N1	REAL000000007326	1	60	0.0	-15.57	446.24	6.11	-9.46
CCCC(NC(=O)C1=CC=C2C=CC=C(Br)C2=C1)C1=NN=N[N-]1	REAL000000007327	0	38	-1.0	-50.96	338.83	6.41	-44.55
CCCC(NC(=O)C1=CC=C2C=CC=C(Br)C2=C1)C1=N[N-]N=N1	REAL000000007327	1	38	-1.0	-50.96	338.78	6.42	-44.55
CCCC(NC(=O)C1=CC=C2C=CC=C(Br)C2=C1)C1=NNN=N1	REAL000000007327	1	39	0.0	-14.13	342.21	6.42	-7.71
CCCC(NC(=O)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000007328	0	44	-1.0	-47.56	370.61	7.41	-40.15
CCCC(NC(=O)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000007328	1	44	-1.0	-47.55	370.55	7.40	-40.15
CCCC(NC(=O)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000007328	1	45	0.0	-17.49	374.01	7.42	-10.07
CCCC(NC(=O)C1=CN=C2C(F)=CC(C)=CC2=C1)C1=NN=N[N-]1	REAL000000007329	0	40	-1.0	-46.50	343.25	4.77	-41.73
CCCC(NC(=O)C1=CN=C2C(F)=CC(C)=CC2=C1)C1=N[N-]N=N1	REAL000000007329	1	40	-1.0	-46.49	343.19	4.76	-41.73
CCCC(NC(=O)C1=CN=C2C(F)=CC(C)=CC2=C1)C1=NNN=N1	REAL000000007329	1	41	0.0	-12.91	346.63	4.78	-8.13
CCCC(NC(=O)C1=CC(Br)=CC(OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000007330	0	45	-1.0	-45.57	376.01	5.40	-40.18
CCCC(NC(=O)C1=CC(Br)=CC(OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000007330	1	45	-1.0	-45.58	375.95	5.40	-40.18
CCCC(NC(=O)C1=CC(Br)=CC(OC(C)(C)C)=C1)C1=NNN=N1	REAL000000007330	1	46	0.0	-7.31	372.19	5.08	-2.24
CCCC(NC(=O)C1=COC(C2=CN(C)N=C2)=N1)C1=NN=N[N-]1	REAL000000007331	0	38	-1.0	-49.28	338.31	-0.19	-49.46
CCCC(NC(=O)C1=COC(C2=CN(C)N=C2)=N1)C1=N[N-]N=N1	REAL000000007331	1	38	-1.0	-49.28	338.25	-0.20	-49.48
CCCC(NC(=O)C1=COC(C2=CN(C)N=C2)=N1)C1=NNN=N1	REAL000000007331	1	39	0.0	-13.51	341.60	-0.19	-13.71
CCCC(NC(=O)C1=CC2=C(OC)C=CC(C)=C2N1)C1=NN=N[N-]1	REAL000000007332	0	43	-1.0	-49.03	358.82	3.55	-45.49
CCCC(NC(=O)C1=CC2=C(OC)C=CC(C)=C2N1)C1=N[N-]N=N1	REAL000000007332	1	43	-1.0	-49.03	358.76	3.54	-45.49
CCCC(NC(=O)C1=CC2=C(OC)C=CC(C)=C2N1)C1=NNN=N1	REAL000000007332	1	44	0.0	-13.75	362.19	3.55	-10.19
CCCCOC1=CC=C(CC(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL000000007333	0	48	-1.0	-47.67	393.33	6.15	-41.52
CCCCOC1=CC=C(CC(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL000000007333	1	48	-1.0	-47.67	393.28	6.14	-41.53
CCCCOC1=CC=C(CC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000007333	1	49	0.0	-9.86	389.52	5.83	-4.03
CCCC(NC(=O)C1=CC=CC(CS(=O)(=O)C(C)(C)C)=N1)C1=NN=N[N-]1	REAL000000007334	0	49	-1.0	-61.85	412.07	2.05	-59.80
CCCC(NC(=O)C1=CC=CC(CS(=O)(=O)C(C)(C)C)=N1)C1=N[N-]N=N1	REAL000000007334	1	49	-1.0	-61.85	412.01	2.05	-59.80
CCCC(NC(=O)C1=CC=CC(CS(=O)(=O)C(C)(C)C)=N1)C1=NNN=N1	REAL000000007334	1	50	0.0	-19.39	415.44	2.05	-17.34
CCCC(NC(=O)C1=CC=C2N=C(OC)C=CC2=C1)C1=NN=N[N-]1	REAL000000007335	0	41	-1.0	-46.55	347.58	2.53	-44.02
CCCC(NC(=O)C1=CC=C2N=C(OC)C=CC2=C1)C1=N[N-]N=N1	REAL000000007335	1	41	-1.0	-46.55	347.52	2.53	-44.02
CCCC(NC(=O)C1=CC=C2N=C(OC)C=CC2=C1)C1=NNN=N1	REAL000000007335	1	42	0.0	-12.59	350.96	2.54	-10.05
CCCC(NC(=O)C1=CN=C2SC(C)=CN12)C1=NN=N[N-]1	REAL000000007336	0	35	-1.0	-47.84	311.11	4.07	-43.77
CCCC(NC(=O)C1=NOC(COC2=CC=C(F)C=C2)=C1)C1=NN=N[N-]1	REAL000000007337	0	42	-1.0	-47.25	371.28	4.41	-42.84
CCCC(NC(=O)C1=NOC(COC2=CC=C(F)C=C2)=C1)C1=N[N-]N=N1	REAL000000007337	1	42	-1.0	-47.25	371.22	4.41	-42.84
CCCC(NC(=O)C1=NOC(COC2=CC=C(F)C=C2)=C1)C1=NNN=N1	REAL000000007337	1	43	0.0	-12.16	374.65	4.42	-7.74
CCCC(NC(=O)C1=CC(Cl)=C(Cl)S1)C1=NN=N[N-]1	REAL000000007338	0	29	-1.0	-41.25	299.53	3.75	-37.50
CCCC(NC(=O)C1=CC(Cl)=C(Cl)S1)C1=N[N-]N=N1	REAL000000007338	1	29	-1.0	-41.25	299.47	3.74	-37.51
CCCC(NC(=O)C1=CC(Cl)=C(Cl)S1)C1=NNN=N1	REAL000000007338	1	30	0.0	-8.80	302.90	3.76	-5.04
CCCC(NC(=O)C1=CC(C(C)(C)C)=CC=N1)C1=NN=N[N-]1	REAL000000007339	0	43	-1.0	-47.64	348.37	4.28	-43.36
CCCC(NC(=O)C1=CC(C(C)(C)C)=CC=N1)C1=N[N-]N=N1	REAL000000007339	1	43	-1.0	-47.64	348.31	4.27	-43.37
CCCC(NC(=O)C1=CC(C(C)(C)C)=CC=N1)C1=NNN=N1	REAL000000007339	1	44	0.0	-10.09	351.75	4.29	-5.80
CCCC(NC(=O)C1CCC2(CC(OC)C2)CC1)C1=NN=N[N-]1	REAL000000007340	0	49	-1.0	-45.32	377.43	4.54	-40.77
CCCC(NC(=O)C1CCC2(CC(OC)C2)CC1)C1=N[N-]N=N1	REAL000000007340	1	49	-1.0	-45.31	377.37	4.53	-40.78
CCCC(NC(=O)C1CCC2(CC(OC)C2)CC1)C1=NNN=N1	REAL000000007340	1	50	0.0	-10.98	380.81	4.55	-6.42
CCCC(CCC1=CC=CC=C1)C(=O)NC(CCC)C1=NN=N[N-]1	REAL000000007341	0	50	-1.0	-49.45	396.25	7.65	-41.80
CCCC(CCC1=CC=CC=C1)C(=O)NC(CCC)C1=N[N-]N=N1	REAL000000007341	1	50	-1.0	-49.45	396.19	7.64	-41.81
CCCC(CCC1=CC=CC=C1)C(=O)NC(CCC)C1=NNN=N1	REAL000000007341	1	51	0.0	-11.71	398.69	7.72	-3.99
CCCC(NC(=O)C1CCC(C(C)(C)CC)CC1)C1=NN=N[N-]1	REAL000000007342	0	53	-1.0	-48.26	376.63	6.31	-41.95
CCCC(NC(=O)C1CCC(C(C)(C)CC)CC1)C1=N[N-]N=N1	REAL000000007342	1	53	-1.0	-48.25	376.57	6.30	-41.95
CCCC(NC(=O)C1CCC(C(C)(C)CC)CC1)C1=NNN=N1	REAL000000007342	1	54	0.0	-9.25	386.53	6.46	-2.79
CCCC(NC(=O)C1=CN=C2C=CC(C)=CC2=C1)C1=NN=N[N-]1	REAL000000007343	0	40	-1.0	-46.50	337.03	4.67	-41.82
CCCC(NC(=O)C1=CN=C2C=CC(C)=CC2=C1)C1=N[N-]N=N1	REAL000000007343	1	40	-1.0	-46.50	336.97	4.67	-41.83
CCCC(NC(=O)C1=CN=C2C=CC(C)=CC2=C1)C1=NNN=N1	REAL000000007343	1	41	0.0	-11.70	340.40	4.68	-7.02
CCCC(NC(=O)C1=NOC(C2=CN(C)N=N2)=C1)C1=NN=N[N-]1	REAL000000007344	0	37	-1.0	-51.59	331.92	1.25	-50.34
CCCC(NC(=O)C1=NOC(C2=CN(C)N=N2)=C1)C1=N[N-]N=N1	REAL000000007344	1	37	-1.0	-51.60	331.86	1.24	-50.36
CCCC(NC(=O)C1=NOC(C2=CN(C)N=N2)=C1)C1=NNN=N1	REAL000000007344	1	38	0.0	-15.99	335.29	1.26	-14.73
CCCC(NC(=O)C1CCC2(CC(=O)C2)CC1)C1=NN=N[N-]1	REAL000000007345	0	44	-1.0	-50.75	347.48	4.69	-46.06
CCCC(NC(=O)C1CCC2(CC(=O)C2)CC1)C1=N[N-]N=N1	REAL000000007345	1	44	-1.0	-50.75	347.42	4.68	-46.07
CCCC(NC(=O)C1CCC2(CC(=O)C2)CC1)C1=NNN=N1	REAL000000007345	1	45	0.0	-14.09	350.86	4.70	-9.39
CCCC(NC(=O)C1=CC=C2OCCC(=O)C2=C1)C1=NN=N[N-]1	REAL000000007346	0	39	-1.0	-53.92	330.31	3.41	-50.51
CCCC(NC(=O)C1=CC=C2OCCC(=O)C2=C1)C1=N[N-]N=N1	REAL000000007346	1	39	-1.0	-53.92	330.25	3.41	-50.51
CCCC(NC(=O)C1=CC=C2OCCC(=O)C2=C1)C1=NNN=N1	REAL000000007346	1	40	0.0	-17.68	333.69	3.42	-14.26
CCCC(NC(=O)C(CC)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000007347	0	47	-1.0	-48.97	374.75	6.88	-42.09
CCCC(NC(=O)C(CC)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000007347	1	47	-1.0	-48.97	374.69	6.88	-42.09
CCCC(NC(=O)C(CC)CCC1=CC=CC=C1)C1=NNN=N1	REAL000000007347	1	48	0.0	-11.78	377.26	6.96	-4.82
CCCC(NC(=O)C(F)(F)C1(OC)CCCC1)C1=NN=N[N-]1	REAL000000007348	0	42	-1.0	-42.71	333.79	4.02	-38.69
CCCC(NC(=O)C(F)(F)C1(OC)CCCC1)C1=N[N-]N=N1	REAL000000007348	1	42	-1.0	-42.71	333.73	4.02	-38.69
CCCC(NC(=O)C(F)(F)C1(OC)CCCC1)C1=NNN=N1	REAL000000007348	1	43	0.0	-7.76	336.92	3.28	-4.48
CCCC(NC(=O)CCC1=CC=C2CCOCC2=C1)C1=NN=N[N-]1	REAL000000007349	0	46	-1.0	-46.35	374.09	5.21	-41.14
CCCC(NC(=O)CCC1=CC=C2CCOCC2=C1)C1=N[N-]N=N1	REAL000000007349	1	46	-1.0	-46.35	374.03	5.21	-41.13
CCCC(NC(=O)CCC1=CC=C2CCOCC2=C1)C1=NNN=N1	REAL000000007349	1	47	0.0	-11.37	377.47	5.22	-6.15
CCCC(NC(=O)C1CC12CCC(F)(F)CC2)C1=NN=N[N-]1	REAL000000007350	0	42	-1.0	-44.97	340.62	5.26	-39.71
CCCC(NC(=O)C1CC12CCC(F)(F)CC2)C1=N[N-]N=N1	REAL000000007350	1	42	-1.0	-44.97	340.56	5.26	-39.72
CCCC(NC(=O)C1CC12CCC(F)(F)CC2)C1=NNN=N1	REAL000000007350	1	43	0.0	-11.37	344.00	5.28	-6.09
CCCC(NC(=O)C1=CC=C(C)C(Br)=N1)C1=NN=N[N-]1	REAL000000007351	0	34	-1.0	-45.73	311.27	3.00	-42.73
CCCC(NC(=O)C1=CC=C(C)C(Br)=N1)C1=N[N-]N=N1	REAL000000007351	1	34	-1.0	-45.72	311.21	3.00	-42.72
CCCC(NC(=O)C1=CC=C(C)C(Br)=N1)C1=NNN=N1	REAL000000007351	1	35	0.0	-9.61	314.64	3.01	-6.60
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(N(C)C)=C1)C1=NN=N[N-]1	REAL000000007352	0	42	-1.0	-44.22	354.76	4.94	-39.28
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(N(C)C)=C1)C1=N[N-]N=N1	REAL000000007352	1	42	-1.0	-44.21	354.70	4.93	-39.28
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(N(C)C)=C1)C1=NNN=N1	REAL000000007352	1	43	0.0	-10.65	350.94	4.62	-6.03
CCCC(NC(=O)C1=C2C=CC=NC2=NC(Cl)=C1)C1=NN=N[N-]1	REAL000000007353	0	36	-1.0	-44.84	322.38	3.49	-41.35
CCCC(NC(=O)C1=C2C=CC=NC2=NC(Cl)=C1)C1=N[N-]N=N1	REAL000000007353	1	36	-1.0	-44.83	322.32	3.49	-41.34
CCCC(NC(=O)C1=C2C=CC=NC2=NC(Cl)=C1)C1=NNN=N1	REAL000000007353	1	37	0.0	-14.15	325.76	3.50	-10.65
CCCC(NC(=O)C1=CC(C(=O)OC)=CS1)C1=NN=N[N-]1	REAL000000007354	0	35	-1.0	-50.49	322.41	3.30	-47.19
CCCC(NC(=O)C1=CC(C(=O)OC)=CS1)C1=N[N-]N=N1	REAL000000007354	1	35	-1.0	-50.48	322.35	3.30	-47.18
CCCC(NC(=O)C1=CC(C(=O)OC)=CS1)C1=NNN=N1	REAL000000007354	1	36	0.0	-15.73	325.79	3.30	-12.43
CCCC(NC(=O)C1=CN=CC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000007355	0	43	-1.0	-45.16	345.85	4.17	-40.99
CCCC(NC(=O)C1=CN=CC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000007355	1	43	-1.0	-45.16	345.79	4.17	-40.99
CCCC(NC(=O)C1=CN=CC(C(C)(C)C)=C1)C1=NNN=N1	REAL000000007355	1	44	0.0	-10.12	349.23	4.18	-5.93
CCCC(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)S1)C1=NN=N[N-]1	REAL000000007356	0	40	-1.0	-44.97	363.96	5.76	-39.21
CCCC(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)S1)C1=N[N-]N=N1	REAL000000007356	1	40	-1.0	-44.98	363.90	5.75	-39.23
CCCC(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)S1)C1=NNN=N1	REAL000000007356	1	41	0.0	-7.87	360.14	5.44	-2.43
CCCC(NC(=O)C1=C2N=CC=C(C(C)(C)C)N2N=C1)C1=NN=N[N-]1	REAL000000007357	0	46	-1.0	-57.45	372.52	5.06	-52.39
CCCC(NC(=O)C1=C2N=CC=C(C(C)(C)C)N2N=C1)C1=N[N-]N=N1	REAL000000007357	1	46	-1.0	-57.46	372.46	5.06	-52.40
CCCC(NC(=O)C1=C2N=CC=C(C(C)(C)C)N2N=C1)C1=NNN=N1	REAL000000007357	1	47	0.0	-18.79	375.90	5.07	-13.72
CCCC(NC(=O)C[C@@H]1OC2=CC=CC=C2[C@@H]1C)C1=NN=N[N-]1	REAL000000007358	0	43	-1.0	-53.70	349.69	5.18	-48.52
CCCC(NC(=O)C[C@@H]1OC2=CC=CC=C2[C@@H]1C)C1=N[N-]N=N1	REAL000000007358	1	43	-1.0	-53.68	349.64	5.18	-48.50
CCCC(NC(=O)C[C@@H]1OC2=CC=CC=C2[C@@H]1C)C1=NNN=N1	REAL000000007358	1	44	0.0	-13.30	352.97	5.40	-7.90
CCCC(NC(=O)CCC1=CC=CC(Br)=C1F)C1=NN=N[N-]1	REAL000000007359	0	38	-1.0	-44.82	346.43	5.76	-39.06
CCCC(NC(=O)CCC1=CC=CC(Br)=C1F)C1=N[N-]N=N1	REAL000000007359	1	38	-1.0	-44.82	346.37	5.75	-39.07
CCCC(NC(=O)CCC1=CC=CC(Br)=C1F)C1=NNN=N1	REAL000000007359	1	39	0.0	-12.84	349.80	5.77	-7.07
CCCC(NC(=O)C1=C(C)N(C)N=C1C(F)F)C1=NN=N[N-]1	REAL000000007360	0	38	-1.0	-48.42	335.15	2.64	-45.78
CCCC(NC(=O)C1=C(C)N(C)N=C1C(F)F)C1=N[N-]N=N1	REAL000000007360	1	38	-1.0	-48.42	335.09	2.64	-45.78
CCCC(NC(=O)C1=C(C)N(C)N=C1C(F)F)C1=NNN=N1	REAL000000007360	1	39	0.0	-12.76	335.63	2.53	-10.23
CCCC(NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)OC)C1=NN=N[N-]1	REAL000000007361	0	43	-1.0	-57.27	349.00	2.93	-54.34
CCCC(NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)OC)C1=N[N-]N=N1	REAL000000007361	1	43	-1.0	-57.27	348.94	2.93	-54.34
CCCC(NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)OC)C1=NNN=N1	REAL000000007361	1	44	0.0	-19.87	347.33	3.26	-16.61
CCCC(NC(=O)C(=O)C1=CC=C(CC)S1)C1=NN=N[N-]1	REAL000000007362	0	37	-1.0	-42.24	329.85	4.12	-38.12
CCCC(NC(=O)C(=O)C1=CC=C(CC)S1)C1=N[N-]N=N1	REAL000000007362	1	37	-1.0	-42.24	329.79	4.11	-38.12
CCCC(NC(=O)C(=O)C1=CC=C(CC)S1)C1=NNN=N1	REAL000000007362	1	38	0.0	-6.66	326.06	3.80	-2.87
CCCC(NC(=O)C1=CC(F)=C(OC)C=C1Br)C1=NN=N[N-]1	REAL000000007363	0	36	-1.0	-44.25	326.22	3.68	-40.58
CCCC(NC(=O)C1=CC(F)=C(OC)C=C1Br)C1=N[N-]N=N1	REAL000000007363	1	36	-1.0	-44.25	326.16	3.67	-40.58
CCCC(NC(=O)C1=CC(F)=C(OC)C=C1Br)C1=NNN=N1	REAL000000007363	1	37	0.0	-10.55	329.59	3.68	-6.87
CCCC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=CN1C)C1=NN=N[N-]1	REAL000000007364	0	50	-1.0	-45.70	401.10	3.25	-42.45
CCCC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=CN1C)C1=N[N-]N=N1	REAL000000007364	1	50	-1.0	-45.70	401.04	3.25	-42.44
CCCC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=CN1C)C1=NNN=N1	REAL000000007364	1	51	0.0	-12.59	404.63	3.26	-9.33
CCCC(NC(=O)C1=CC(C2CCCC2)=NN1)C1=NN=N[N-]1	REAL000000007365	0	42	-1.0	-43.76	340.71	3.21	-40.55
CCCC(NC(=O)C1=CC(C2CCCC2)=NN1)C1=N[N-]N=N1	REAL000000007365	1	42	-1.0	-43.76	340.66	3.20	-40.56
CCCC(NC(=O)C1=CC(C2CCCC2)=NN1)C1=NNN=N1	REAL000000007365	1	43	0.0	-10.40	344.09	3.22	-7.18
CCCC(NC(=O)C1=CC=C2NC(=O)C(C)(C)OC2=C1)C1=NN=N[N-]1	REAL000000007366	0	44	-1.0	-48.08	364.68	2.21	-45.87
CCCC(NC(=O)C1=CC=C2NC(=O)C(C)(C)OC2=C1)C1=N[N-]N=N1	REAL000000007366	1	44	-1.0	-48.09	364.63	2.21	-45.88
CCCC(NC(=O)C1=CC=C2NC(=O)C(C)(C)OC2=C1)C1=NNN=N1	REAL000000007366	1	45	0.0	-15.00	368.06	2.22	-12.78
CCCC(NC(=O)C1=CC=CC2=C1CCC(=O)N2)C1=NN=N[N-]1	REAL000000007367	0	40	-1.0	-47.64	328.40	2.81	-44.83
CCCC(NC(=O)C1=CC=CC2=C1CCC(=O)N2)C1=N[N-]N=N1	REAL000000007367	1	40	-1.0	-47.63	328.35	2.81	-44.81
CCCC(NC(=O)C1=CC=CC2=C1CCC(=O)N2)C1=NNN=N1	REAL000000007367	1	41	0.0	-13.97	331.79	2.82	-11.14
CCCC(NC(=O)C1=C(C(F)F)N=C2C=NN(C)C2=C1)C1=NN=N[N-]1	REAL000000007368	0	40	-1.0	-49.61	344.17	2.60	-47.01
CCCC(NC(=O)C1=C(C(F)F)N=C2C=NN(C)C2=C1)C1=N[N-]N=N1	REAL000000007368	1	40	-1.0	-49.60	344.11	2.60	-47.00
CCCC(NC(=O)C1=C(C(F)F)N=C2C=NN(C)C2=C1)C1=NNN=N1	REAL000000007368	1	41	0.0	-12.11	340.28	2.28	-9.82
CCCC(NC(=O)C1=C2C=CC=C(C(=O)OC)C2=CC=C1)C1=NN=N[N-]1	REAL000000007369	0	44	-1.0	-47.31	365.15	6.37	-40.93
CCCC(NC(=O)C1=C2C=CC=C(C(=O)OC)C2=CC=C1)C1=N[N-]N=N1	REAL000000007369	1	44	-1.0	-47.30	365.09	6.37	-40.93
CCCC(NC(=O)C1=C2C=CC=C(C(=O)OC)C2=CC=C1)C1=NNN=N1	REAL000000007369	1	45	0.0	-13.15	368.53	6.38	-6.77
CCCC(NC(=O)C1=CN=CC2=C1CCNC2=O)C1=NN=N[N-]1	REAL000000007370	0	39	-1.0	-42.87	323.66	0.31	-42.56
CCCC(NC(=O)C1=CN=CC2=C1CCNC2=O)C1=N[N-]N=N1	REAL000000007370	1	39	-1.0	-42.87	323.60	0.30	-42.57
CCCC(NC(=O)C1=CN=CC2=C1CCNC2=O)C1=NNN=N1	REAL000000007370	1	40	0.0	-12.96	327.04	0.32	-12.64
CCCC(NC(=O)C1=CC(C)=C(C(F)F)C=N1)C1=NN=N[N-]1	REAL000000007371	0	37	-1.0	-46.98	321.57	3.35	-43.63
CCCC(NC(=O)C1=CC(C)=C(C(F)F)C=N1)C1=N[N-]N=N1	REAL000000007371	1	37	-1.0	-46.99	321.51	3.34	-43.65
CCCC(NC(=O)C1=CC(C)=C(C(F)F)C=N1)C1=NNN=N1	REAL000000007371	1	38	0.0	-11.50	324.94	3.36	-8.15
CCCC(NC(=O)C1=CC2=C(CCCNC2=O)S1)C1=NN=N[N-]1	REAL000000007372	0	40	-1.0	-52.90	343.90	1.94	-50.96
CCCC(NC(=O)C1=CC2=C(CCCNC2=O)S1)C1=N[N-]N=N1	REAL000000007372	1	40	-1.0	-52.91	343.84	1.94	-50.96
CCCC(NC(=O)C1=CC2=C(CCCNC2=O)S1)C1=NNN=N1	REAL000000007372	1	41	0.0	-17.91	347.28	1.95	-15.96
CCCC(NC(=O)C1=CN=CC(C(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL000000007373	0	41	-1.0	-53.97	338.80	1.49	-52.48
CCCC(NC(=O)C1=CN=CC(C(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL000000007373	1	41	-1.0	-53.97	338.74	1.48	-52.49
CCCC(NC(=O)C1=CN=CC(C(=O)N(C)C)=C1)C1=NNN=N1	REAL000000007373	1	42	0.0	-18.10	343.88	1.62	-16.48
CCCC(NC(=O)C1=CC=C2C=CN=C(Cl)C2=N1)C1=NN=N[N-]1	REAL000000007374	0	36	-1.0	-48.65	328.97	2.83	-45.82
CCCC(NC(=O)C1=CC=C2C=CN=C(Cl)C2=N1)C1=N[N-]N=N1	REAL000000007374	1	36	-1.0	-48.65	328.92	2.83	-45.82
CCCC(NC(=O)C1=CC=C2C=CN=C(Cl)C2=N1)C1=NNN=N1	REAL000000007374	1	37	0.0	-12.65	332.35	2.84	-9.82
CCCC(NC(=O)C(COCC)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007375	0	52	-1.0	-46.27	417.92	1.45	-44.82
CCCC(NC(=O)C(COCC)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007375	1	52	-1.0	-46.27	417.87	1.44	-44.83
CCCC(NC(=O)C(COCC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007375	1	53	0.0	-11.57	421.31	1.46	-10.11
CCCC(NC(=O)C1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL000000007376	0	59	-1.0	-61.87	444.33	6.10	-55.77
CCCC(NC(=O)C1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL000000007376	1	59	-1.0	-61.87	444.28	6.09	-55.77
CCCC(NC(=O)C1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2)C1=NNN=N1	REAL000000007376	1	60	0.0	-13.73	444.51	5.90	-7.83
CCCC(NC(=O)CC1(C)CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000007377	0	55	-1.0	-46.77	423.32	4.93	-41.84
CCCC(NC(=O)CC1(C)CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000007377	1	55	-1.0	-46.76	423.26	4.93	-41.83
CCCC(NC(=O)CC1(C)CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007377	1	56	0.0	-16.93	426.28	4.86	-12.06
CCCC(NC(=O)C1CC1C1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000007378	0	59	-1.0	-47.61	455.69	6.67	-40.94
CCCC(NC(=O)C1CC1C1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000007378	1	59	-1.0	-47.60	455.63	6.68	-40.93
CCCC(NC(=O)C1CC1C1CCCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007378	1	60	0.0	-13.12	459.07	6.68	-6.44
CCCC(NC(=O)C1(C)CC(NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000007379	0	52	-1.0	-45.44	404.60	3.52	-41.91
CCCC(NC(=O)C1(C)CC(NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000007379	1	52	-1.0	-45.43	404.54	3.52	-41.91
CCCC(NC(=O)C1(C)CC(NC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007379	1	53	0.0	-14.71	412.72	2.94	-11.77
CCCC(NC(=O)[C@H]1CC12CC(NC(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL000000007380	0	53	-1.0	-52.02	422.75	3.87	-48.15
CCCC(NC(=O)[C@H]1CC12CC(NC(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL000000007380	1	53	-1.0	-52.02	422.69	3.87	-48.15
CCCC(NC(=O)[C@H]1CC12CC(NC(=O)OC(C)(C)C)C2)C1=NNN=N1	REAL000000007380	1	54	0.0	-16.11	424.10	3.83	-12.28
CCCC(NC(=O)C(C)OC1=CC=CC=C1OC)C1=NN=N[N-]1	REAL000000007381	0	43	-1.0	-54.49	353.78	4.61	-49.89
CCCC(NC(=O)C(C)OC1=CC=CC=C1OC)C1=N[N-]N=N1	REAL000000007381	1	43	-1.0	-54.49	353.72	4.61	-49.88
CCCC(NC(=O)C(C)OC1=CC=CC=C1OC)C1=NNN=N1	REAL000000007381	1	44	0.0	-17.57	357.16	4.62	-12.96
CCCC(NC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL000000007382	0	46	-1.0	-54.81	376.99	2.14	-52.67
CCCC(NC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL000000007382	1	46	-1.0	-54.81	376.93	2.14	-52.67
CCCC(NC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)C)=C1)C1=NNN=N1	REAL000000007382	1	47	0.0	-19.64	380.04	2.17	-17.47
CCCC(NC(=O)C1=C(CC)N=C2SC(C)=CN21)C1=NN=N[N-]1	REAL000000007383	0	41	-1.0	-48.02	350.61	5.44	-42.58
CCCC(NC(=O)C1CCC(C2CCCO2)O1)C1=NN=N[N-]1	REAL000000007384	0	44	-1.0	-49.10	352.96	2.96	-46.14
CCCC(NC(=O)C1CCC(C2CCCO2)O1)C1=N[N-]N=N1	REAL000000007384	1	44	-1.0	-49.10	352.90	2.95	-46.15
CCCC(NC(=O)C1CCC(C2CCCO2)O1)C1=NNN=N1	REAL000000007384	1	45	0.0	-12.95	356.34	2.97	-9.98
CCCC(NC(=O)C1=CC=C(F)C(C(F)(F)F)=C1Cl)C1=NN=N[N-]1	REAL000000007385	0	35	-1.0	-46.27	325.68	5.07	-41.20
CCCC(NC(=O)C1=CC=C(F)C(C(F)(F)F)=C1Cl)C1=N[N-]N=N1	REAL000000007385	1	35	-1.0	-46.27	325.62	5.06	-41.20
CCCC(NC(=O)C1=CC=C(F)C(C(F)(F)F)=C1Cl)C1=NNN=N1	REAL000000007385	1	36	0.0	-14.42	329.06	5.08	-9.34
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1F)C1=NN=N[N-]1	REAL000000007386	0	37	-1.0	-46.74	325.71	5.03	-41.71
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1F)C1=N[N-]N=N1	REAL000000007386	1	37	-1.0	-46.74	325.65	5.02	-41.72
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1F)C1=NNN=N1	REAL000000007386	1	38	0.0	-12.04	329.08	5.04	-7.01
CCCC(NC(=O)C1=C2N=NN(C)C2=CC=C1)C1=NN=N[N-]1	REAL000000007387	0	37	-1.0	-63.83	317.14	2.29	-61.54
CCCC(NC(=O)C1=C2N=NN(C)C2=CC=C1)C1=N[N-]N=N1	REAL000000007387	1	37	-1.0	-63.83	317.08	2.29	-61.54
CCCC(NC(=O)C1=C2N=NN(C)C2=CC=C1)C1=NNN=N1	REAL000000007387	1	38	0.0	-20.03	313.34	1.97	-18.06
CCCC(NC(=O)C1=CN=C2OCCCC2=C1)C1=NN=N[N-]1	REAL000000007388	0	39	-1.0	-46.89	323.11	1.16	-45.73
CCCC(NC(=O)C1=CN=C2OCCCC2=C1)C1=N[N-]N=N1	REAL000000007388	1	39	-1.0	-46.89	323.05	1.17	-45.73
CCCC(NC(=O)C1=CN=C2OCCCC2=C1)C1=NNN=N1	REAL000000007388	1	40	0.0	-12.82	326.49	1.17	-11.64
CCCC(NC(=O)C1=CC(C2=CC=NC=C2)=NO1)C1=NN=N[N-]1	REAL000000007389	0	37	-1.0	-42.20	328.26	2.87	-39.33
CCCC(NC(=O)C1=CC(C2=CC=NC=C2)=NO1)C1=N[N-]N=N1	REAL000000007389	1	37	-1.0	-42.19	328.20	2.87	-39.32
CCCC(NC(=O)C1=CC(C2=CC=NC=C2)=NO1)C1=NNN=N1	REAL000000007389	1	38	0.0	-10.79	331.64	2.88	-7.92
CCCC(NC(=O)C(F)(F)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000007390	0	41	-1.0	-41.81	352.11	6.04	-35.76
CCCC(NC(=O)C(F)(F)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000007390	1	41	-1.0	-41.80	352.05	6.03	-35.77
CCCC(NC(=O)C(F)(F)CCC1=CC=CC=C1)C1=NNN=N1	REAL000000007390	1	42	0.0	-8.12	355.50	6.05	-2.06
CCCC(NC(=O)C1=CC2=C(C=C(C)S2)S1)C1=NN=N[N-]1	REAL000000007391	0	35	-1.0	-45.84	325.48	4.93	-40.91
CCCC(NC(=O)C1=CC2=C(C=C(C)S2)S1)C1=N[N-]N=N1	REAL000000007391	1	35	-1.0	-45.84	325.42	4.92	-40.92
CCCC(NC(=O)C1=CC2=C(C=C(C)S2)S1)C1=NNN=N1	REAL000000007391	1	36	0.0	-10.13	328.86	4.94	-5.19
CCCC(NC(=O)CC1=CC=CC=C1CS(N)(=O)=O)C1=NN=N[N-]1	REAL000000007392	0	43	-1.0	-51.96	368.82	-0.13	-52.09
CCCC(NC(=O)CC1=CC=CC=C1CS(N)(=O)=O)C1=N[N-]N=N1	REAL000000007392	1	43	-1.0	-51.95	368.76	-0.13	-52.08
CCCC(NC(=O)CC1=CC=CC=C1CS(N)(=O)=O)C1=NNN=N1	REAL000000007392	1	44	0.0	-18.24	372.27	-0.13	-18.37
CCCC(NC(=O)C1=CC2=CC=C(C(F)(F)F)C=C2S1)C1=NN=N[N-]1	REAL000000007393	0	38	-1.0	-43.41	352.47	6.06	-37.35
CCCC(NC(=O)C1=CC2=CC=C(C(F)(F)F)C=C2S1)C1=N[N-]N=N1	REAL000000007393	1	38	-1.0	-43.42	352.41	6.05	-37.36
CCCC(NC(=O)C1=CC2=CC=C(C(F)(F)F)C=C2S1)C1=NNN=N1	REAL000000007393	1	39	0.0	-9.49	355.85	6.07	-3.42
CCCC(NC(=O)CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)C1=NN=N[N-]1	REAL000000007394	0	45	-1.0	-46.07	382.13	7.11	-38.97
CCCC(NC(=O)CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)C1=N[N-]N=N1	REAL000000007394	1	45	-1.0	-46.07	382.07	7.11	-38.96
CCCC(NC(=O)CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)C1=NNN=N1	REAL000000007394	1	46	0.0	-11.68	385.51	7.12	-4.56
CCCC(NC(=O)CCN(OC)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007395	0	49	-1.0	-44.95	397.91	3.72	-41.23
CCCC(NC(=O)CCN(OC)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007395	1	49	-1.0	-44.95	397.86	3.72	-41.23
CCCC(NC(=O)CCN(OC)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007395	1	50	0.0	-11.82	401.29	3.73	-8.09
CCCC(NC(=O)C1=CC2=NNN=C2C(Br)=C1)C1=NN=N[N-]1	REAL000000007396	0	34	-1.0	-44.08	315.47	1.52	-42.55
CCCC(NC(=O)C1=CC2=NNN=C2C(Br)=C1)C1=N[N-]N=N1	REAL000000007396	1	34	-1.0	-44.07	315.41	1.53	-42.55
CCCC(NC(=O)C1=CC2=NNN=C2C(Br)=C1)C1=NNN=N1	REAL000000007396	1	35	0.0	-11.62	318.85	1.53	-10.09
CCCC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=NO1)C1=NN=N[N-]1	REAL000000007397	0	45	-1.0	-43.75	374.82	2.26	-41.49
CCCC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=NO1)C1=N[N-]N=N1	REAL000000007397	1	45	-1.0	-43.75	374.76	2.25	-41.50
CCCC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=NO1)C1=NNN=N1	REAL000000007397	1	46	0.0	-10.57	378.19	2.27	-8.30
CCCC(NC(=O)C1=CC(C(=O)OC)=NC=C1F)C1=NN=N[N-]1	REAL000000007398	0	37	-1.0	-45.78	329.91	2.58	-43.20
CCCC(NC(=O)C1=CC(C(=O)OC)=NC=C1F)C1=N[N-]N=N1	REAL000000007398	1	37	-1.0	-45.78	329.85	2.58	-43.20
CCCC(NC(=O)C1=CC(C(=O)OC)=NC=C1F)C1=NNN=N1	REAL000000007398	1	38	0.0	-12.15	333.29	2.59	-9.57
CCCC(NC(=O)C1=CC(C)=CC2=C1OCC2)C1=NN=N[N-]1	REAL000000007399	0	40	-1.0	-53.57	330.69	5.07	-48.50
CCCC(NC(=O)C1=CC(C)=CC2=C1OCC2)C1=N[N-]N=N1	REAL000000007399	1	40	-1.0	-53.57	330.64	5.07	-48.49
CCCC(NC(=O)C1=CC(C)=CC2=C1OCC2)C1=NNN=N1	REAL000000007399	1	41	0.0	-15.16	334.07	5.08	-10.08
CCCC(NC(=O)C1=C2SC=CC2=CN=C1)C1=NN=N[N-]1	REAL000000007400	0	34	-1.0	-48.58	304.06	3.24	-45.34
CCCC(NC(=O)C1=C2SC=CC2=CN=C1)C1=N[N-]N=N1	REAL000000007400	1	34	-1.0	-48.58	304.00	3.24	-45.34
CCCC(NC(=O)C1=C2SC=CC2=CN=C1)C1=NNN=N1	REAL000000007400	1	35	0.0	-12.57	307.44	3.25	-9.32
CCCC(NC(=O)CC1=CC=CC=C1COC(C)C)C1=NN=N[N-]1	REAL000000007401	0	48	-1.0	-47.18	390.38	5.82	-41.36
CCCC(NC(=O)CC1=CC=CC=C1COC(C)C)C1=N[N-]N=N1	REAL000000007401	1	48	-1.0	-47.18	390.32	5.81	-41.37
CCCC(NC(=O)CC1=CC=CC=C1COC(C)C)C1=NNN=N1	REAL000000007401	1	49	0.0	-12.62	393.75	5.83	-6.79
CCCC(NC(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL000000007402	0	39	-1.0	-47.81	355.56	6.46	-41.35
CCCC(NC(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL000000007402	1	39	-1.0	-47.82	355.50	6.45	-41.37
CCCC(NC(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)C1=NNN=N1	REAL000000007402	1	40	0.0	-10.51	358.93	6.47	-4.04
CCCC(NC(=O)C1CC(C2=CC=CC(Br)=C2)=NO1)C1=NN=N[N-]1	REAL000000007403	0	40	-1.0	-53.05	363.48	5.64	-47.41
CCCC(NC(=O)C1CC(C2=CC=CC(Br)=C2)=NO1)C1=N[N-]N=N1	REAL000000007403	1	40	-1.0	-53.04	363.42	5.63	-47.41
CCCC(NC(=O)C1CC(C2=CC=CC(Br)=C2)=NO1)C1=NNN=N1	REAL000000007403	1	41	0.0	-17.96	366.86	5.65	-12.32
CCCC(NC(=O)CN1C=C(I)C=N1)C1=NN=N[N-]1	REAL000000007404	0	32	-1.0	-52.37	307.42	2.85	-49.52
CCCC(NC(=O)CN1C=C(I)C=N1)C1=N[N-]N=N1	REAL000000007404	1	32	-1.0	-52.38	307.38	2.84	-49.54
CCCC(NC(=O)CN1C=C(I)C=N1)C1=NNN=N1	REAL000000007404	1	33	0.0	-15.44	310.81	2.86	-12.58
CCCC(NC(=O)C1=CN=C2C=C(Br)C=CN12)C1=NN=N[N-]1	REAL000000007405	0	35	-1.0	-44.98	321.05	4.57	-40.42
CCCC(NC(=O)C1=CN=C2C=C(Br)C=CN12)C1=N[N-]N=N1	REAL000000007405	1	35	-1.0	-44.98	321.00	4.57	-40.41
CCCC(NC(=O)C1=CN=C2C=C(Br)C=CN12)C1=NNN=N1	REAL000000007405	1	36	0.0	-11.66	324.57	4.57	-7.08
CCCC(NC(=O)C1=CC(C2=CC=CC=N2)=NN1)C1=NN=N[N-]1	REAL000000007406	0	38	-1.0	-48.30	332.46	1.96	-46.34
CCCC(NC(=O)C1=CC(C2=CC=CC=N2)=NN1)C1=N[N-]N=N1	REAL000000007406	1	38	-1.0	-48.29	332.40	1.95	-46.34
CCCC(NC(=O)C1=CC(C2=CC=CC=N2)=NN1)C1=NNN=N1	REAL000000007406	1	39	0.0	-14.58	335.84	1.97	-12.62
CCCC(NC(=O)C1=CN(C2CCS(=O)(=O)C2)N=C1)C1=NN=N[N-]1	REAL000000007407	0	42	-1.0	-53.78	362.28	-0.01	-53.79
CCCC(NC(=O)C1=CN(C2CCS(=O)(=O)C2)N=C1)C1=N[N-]N=N1	REAL000000007407	1	42	-1.0	-53.78	362.22	-0.02	-53.80
CCCC(NC(=O)C1=CN(C2CCS(=O)(=O)C2)N=C1)C1=NNN=N1	REAL000000007407	1	43	0.0	-18.68	358.47	-0.34	-19.02
CCCC(NC(=O)C1=NC(Cl)=C(Cl)N=C1N)C1=NN=N[N-]1	REAL000000007408	0	32	-1.0	-38.10	308.44	-0.00	-38.10
CCCC(NC(=O)C1=NC(Cl)=C(Cl)N=C1N)C1=N[N-]N=N1	REAL000000007408	1	32	-1.0	-38.09	308.38	-0.00	-38.09
CCCC(NC(=O)C1=NC(Cl)=C(Cl)N=C1N)C1=NNN=N1	REAL000000007408	1	33	0.0	-6.58	312.29	0.00	-6.57
CCCC(NC(=O)C1=C2N=CC=CC2=C(OC)C(Cl)=C1)C1=NN=N[N-]1	REAL000000007409	0	41	-1.0	-52.24	361.72	4.52	-47.72
CCCC(NC(=O)C1=C2N=CC=CC2=C(OC)C(Cl)=C1)C1=N[N-]N=N1	REAL000000007409	1	41	-1.0	-52.24	361.67	4.51	-47.73
CCCC(NC(=O)C1=C2N=CC=CC2=C(OC)C(Cl)=C1)C1=NNN=N1	REAL000000007409	1	42	0.0	-14.55	365.10	4.53	-10.02
CCCC(NC(=O)C1=C(C(=O)OC(C)(C)C)C=NN1C)C1=NN=N[N-]1	REAL000000007410	0	47	-1.0	-45.94	390.26	3.74	-42.20
CCCC(NC(=O)C1=C(C(=O)OC(C)(C)C)C=NN1C)C1=N[N-]N=N1	REAL000000007410	1	47	-1.0	-45.94	390.20	3.73	-42.21
CCCC(NC(=O)C1=C(C(=O)OC(C)(C)C)C=NN1C)C1=NNN=N1	REAL000000007410	1	48	0.0	-11.60	386.05	3.43	-8.17
CCCC(NC(=O)C1=CC=C(F)C(NC(=O)OC(C)(C)C)=C1F)C1=NN=N[N-]1	REAL000000007413	0	49	-1.0	-52.95	411.31	4.31	-48.64
CCCC(NC(=O)C1=CC=C(F)C(NC(=O)OC(C)(C)C)=C1F)C1=N[N-]N=N1	REAL000000007413	1	49	-1.0	-52.95	411.25	4.31	-48.63
CCCC(NC(=O)C1=CC=C(F)C(NC(=O)OC(C)(C)C)=C1F)C1=NNN=N1	REAL000000007413	1	50	0.0	-19.49	414.69	4.32	-15.17
CCCC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL000000007414	0	48	0.0	-72.88	382.49	5.35	-67.53
CCCC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL000000007414	1	48	0.0	-72.88	382.44	5.34	-67.54
CCCC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C1=NNN=N1	REAL000000007414	1	49	1.0	-42.74	378.68	5.02	-37.72
CCCC(NC(=O)C1=CC=CC(P(C)(C)=O)=C1)C1=NN=N[N-]1	REAL000000007415	0	41	-1.0	-56.28	354.40	3.23	-53.05
CCCC(NC(=O)C1=CC=CC(P(C)(C)=O)=C1)C1=N[N-]N=N1	REAL000000007415	1	41	-1.0	-56.28	354.34	3.23	-53.05
CCCC(NC(=O)C1=CC=CC(P(C)(C)=O)=C1)C1=NNN=N1	REAL000000007415	1	42	0.0	-15.18	350.59	2.92	-12.27
CCCC(NC(=O)C(F)(F)CC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000007416	0	38	-1.0	-38.80	351.92	5.86	-32.95
CCCC(NC(=O)C(F)(F)CC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000007416	1	38	-1.0	-38.80	351.86	5.86	-32.94
CCCC(NC(=O)C(F)(F)CC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000007416	1	39	0.0	-6.51	348.10	5.54	-0.97
CCCC(NC(=O)C1=CC2=C(CCC(C(C)(C)C)C2)NC1=O)C1=NN=N[N-]1	REAL000000007417	0	54	-1.0	-55.62	408.61	5.31	-50.31
CCCC(NC(=O)C1=CC2=C(CCC(C(C)(C)C)C2)NC1=O)C1=N[N-]N=N1	REAL000000007417	1	54	-1.0	-55.62	408.56	5.31	-50.31
CCCC(NC(=O)C1=CC2=C(CCC(C(C)(C)C)C2)NC1=O)C1=NNN=N1	REAL000000007417	1	55	0.0	-12.98	405.13	4.97	-8.00
CCCC(NC(=O)C1=COC(CN2C=C(Br)C=N2)=C1)C1=NN=N[N-]1	REAL000000007418	0	39	-1.0	-52.51	363.72	4.07	-48.44
CCCC(NC(=O)C1=COC(CN2C=C(Br)C=N2)=C1)C1=N[N-]N=N1	REAL000000007418	1	39	-1.0	-52.50	363.66	4.07	-48.44
CCCC(NC(=O)C1=COC(CN2C=C(Br)C=N2)=C1)C1=NNN=N1	REAL000000007418	1	40	0.0	-17.46	367.09	4.09	-13.37
CCCC(NC(=O)CC1=C(F)C=CC(F)=C1Br)C1=NN=N[N-]1	REAL000000007419	0	35	-1.0	-47.01	328.07	4.92	-42.09
CCCC(NC(=O)CC1=C(F)C=CC(F)=C1Br)C1=N[N-]N=N1	REAL000000007419	1	35	-1.0	-47.00	328.01	4.91	-42.09
CCCC(NC(=O)CC1=C(F)C=CC(F)=C1Br)C1=NNN=N1	REAL000000007419	1	36	0.0	-11.44	331.45	4.92	-6.51
CCCC(NC(=O)C1=CC=CC(N=S2(=O)CCCC2)=C1)C1=NN=N[N-]1	REAL000000007420	0	46	-1.0	-62.32	379.94	3.49	-58.83
CCCC(NC(=O)C1=CC=CC(N=S2(=O)CCCC2)=C1)C1=N[N-]N=N1	REAL000000007420	1	46	-1.0	-62.32	379.88	3.48	-58.85
CCCC(NC(=O)C1=CC=CC(N=S2(=O)CCCC2)=C1)C1=NNN=N1	REAL000000007420	1	47	0.0	-24.49	383.75	3.56	-20.93
CCCC(NC(=O)C1CCCC2=C1N=CN2C)C1=NN=N[N-]1	REAL000000007421	0	42	-1.0	-52.54	338.72	5.52	-47.02
CCCC(NC(=O)C1CCCC2=C1N=CN2C)C1=N[N-]N=N1	REAL000000007421	1	42	-1.0	-52.55	338.66	5.51	-47.03
CCCC(NC(=O)C1=CC=CC(S(C)(=O)=NC)=C1)C1=NN=N[N-]1	REAL000000007422	0	42	-1.0	-53.54	362.51	1.07	-52.47
CCCC(NC(=O)C1=CC=CC(S(C)(=O)=NC)=C1)C1=N[N-]N=N1	REAL000000007422	1	42	-1.0	-53.53	362.45	1.07	-52.46
CCCC(NC(=O)C1=CC=CC(S(C)(=O)=NC)=C1)C1=NNN=N1	REAL000000007422	1	43	0.0	-20.88	365.87	1.08	-19.80
CCCC(NC(=O)CCCONC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007423	0	49	-1.0	-54.41	400.35	2.52	-51.89
CCCC(NC(=O)CCCONC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007423	1	49	-1.0	-54.41	400.29	2.51	-51.90
CCCC(NC(=O)CCCONC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007423	1	50	0.0	-19.02	403.73	2.53	-16.50
CCCC(NC(=O)C1=NOC(COC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000007424	0	42	-1.0	-45.76	364.87	4.35	-41.42
CCCC(NC(=O)C1=NOC(COC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000007424	1	42	-1.0	-45.76	364.81	4.35	-41.41
CCCC(NC(=O)C1=NOC(COC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000007424	1	43	0.0	-11.37	368.24	4.36	-7.01
CCCC(NC(=O)C1=C(C)N(C(C)C(C)C)N=C1)C1=NN=N[N-]1	REAL000000007425	0	47	-1.0	-46.63	374.84	4.88	-41.75
CCCC(NC(=O)C1=C(C)N(C(C)C(C)C)N=C1)C1=N[N-]N=N1	REAL000000007425	1	47	-1.0	-46.63	374.78	4.88	-41.75
CCCC(NC(=O)C1=C(C)N(C(C)C(C)C)N=C1)C1=NNN=N1	REAL000000007425	1	48	0.0	-11.26	378.22	4.89	-6.38
CCCSC1=CC=CC(C(=O)NC(CCC)C2=NN=N[N-]2)=C1	REAL000000007426	0	42	-1.0	-49.23	357.50	6.33	-42.90
CCCSC1=CC=CC(C(=O)NC(CCC)C2=N[N-]N=N2)=C1	REAL000000007426	1	42	-1.0	-49.23	357.44	6.32	-42.91
CCCSC1=CC=CC(C(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000007426	1	43	0.0	-12.91	360.87	6.34	-6.58
CCCC(NC(=O)C1CCCC2=CC(OC)=CC=C21)C1=NN=N[N-]1	REAL000000007427	0	46	-1.0	-45.98	363.90	5.38	-40.60
CCCC(NC(=O)C1CCCC2=CC(OC)=CC=C21)C1=N[N-]N=N1	REAL000000007427	1	46	-1.0	-45.98	363.84	5.37	-40.61
CCCC(NC(=O)C1CCCC2=CC(OC)=CC=C21)C1=NNN=N1	REAL000000007427	1	47	0.0	-12.50	370.25	5.11	-7.39
CCCC(NC(=O)C1=NC(OC)=CC=C1Cl)C1=NN=N[N-]1	REAL000000007428	0	35	-1.0	-45.76	316.29	1.01	-44.75
CCCC(NC(=O)C1=NC(OC)=CC=C1Cl)C1=N[N-]N=N1	REAL000000007428	1	35	-1.0	-45.76	316.23	1.00	-44.76
CCCC(NC(=O)C1=NC(OC)=CC=C1Cl)C1=NNN=N1	REAL000000007428	1	36	0.0	-9.92	319.66	1.02	-8.90
CCCC(NC(=O)C1=CC=C(C2=CC=CC(Cl)=C2)C=N1)C1=NN=N[N-]1	REAL000000007429	0	41	-1.0	-46.90	362.64	5.86	-41.04
CCCC(NC(=O)C1=CC=C(C2=CC=CC(Cl)=C2)C=N1)C1=N[N-]N=N1	REAL000000007429	1	41	-1.0	-46.90	362.58	5.85	-41.05
CCCC(NC(=O)C1=CC=C(C2=CC=CC(Cl)=C2)C=N1)C1=NNN=N1	REAL000000007429	1	42	0.0	-8.93	358.84	5.54	-3.39
CCCCSC1=CC=CC(C(=O)NC(CCC)C2=NN=N[N-]2)=C1	REAL000000007430	0	45	-1.0	-49.18	378.99	7.11	-42.07
CCCCSC1=CC=CC(C(=O)NC(CCC)C2=N[N-]N=N2)=C1	REAL000000007430	1	45	-1.0	-49.18	378.94	7.10	-42.08
CCCCSC1=CC=CC(C(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000007430	1	46	0.0	-12.89	382.37	7.12	-5.77
CCCC(NC(=O)C1CCC2=NC=NC(C)=C2C1)C1=NN=N[N-]1	REAL000000007431	0	43	-1.0	-45.34	345.17	4.53	-40.81
CCCC(NC(=O)C1CCC2=NC=NC(C)=C2C1)C1=N[N-]N=N1	REAL000000007431	1	43	-1.0	-45.34	345.12	4.52	-40.81
CCCC(NC(=O)C1CCC2=NC=NC(C)=C2C1)C1=NNN=N1	REAL000000007431	1	44	0.0	-12.80	349.34	4.57	-8.23
CCCC(NC(=O)C(O)C1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL000000007432	0	36	-1.0	-44.09	330.62	3.49	-40.60
CCCC(NC(=O)C(O)C1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL000000007432	1	36	-1.0	-44.09	330.57	3.48	-40.61
CCCC(NC(=O)C(O)C1=CC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000007432	1	37	0.0	-8.86	333.99	3.50	-5.36
CCCC(NC(=O)CN1C(=O)C(C)C(C)C1=O)C1=NN=N[N-]1	REAL000000007433	0	41	-1.0	-53.46	345.97	2.57	-50.88
CCCC(NC(=O)CN1C(=O)C(C)C(C)C1=O)C1=N[N-]N=N1	REAL000000007433	1	41	-1.0	-53.45	345.91	2.56	-50.89
CCCC(NC(=O)CN1C(=O)C(C)C(C)C1=O)C1=NNN=N1	REAL000000007433	1	42	0.0	-16.78	343.64	2.44	-14.35
CCCC(NC(=O)CC1=C(Br)C=CC(Cl)=C1F)C1=NN=N[N-]1	REAL000000007434	0	35	-1.0	-47.17	338.55	5.37	-41.81
CCCC(NC(=O)CC1=C(Br)C=CC(Cl)=C1F)C1=N[N-]N=N1	REAL000000007434	1	35	-1.0	-47.17	338.49	5.36	-41.81
CCCC(NC(=O)CC1=C(Br)C=CC(Cl)=C1F)C1=NNN=N1	REAL000000007434	1	36	0.0	-8.28	334.70	5.05	-3.23
CCCC(NC(=O)CC1=C2C=CC=CC2=C(Br)C=C1)C1=NN=N[N-]1	REAL000000007435	0	41	-1.0	-47.15	360.07	6.96	-40.20
CCCC(NC(=O)CC1=C2C=CC=CC2=C(Br)C=C1)C1=N[N-]N=N1	REAL000000007435	1	41	-1.0	-47.16	360.02	6.95	-40.21
CCCC(NC(=O)CC1=C2C=CC=CC2=C(Br)C=C1)C1=NNN=N1	REAL000000007435	1	42	0.0	-13.33	363.46	6.96	-6.37
CCCC(NC(=O)C1=COC2=CC=C(Br)C=C12)C1=NN=N[N-]1	REAL000000007436	0	35	-1.0	-50.50	324.34	4.60	-45.91
CCCC(NC(=O)C1=COC2=CC=C(Br)C=C12)C1=N[N-]N=N1	REAL000000007436	1	35	-1.0	-50.51	324.28	4.59	-45.92
CCCC(NC(=O)C1=COC2=CC=C(Br)C=C12)C1=NNN=N1	REAL000000007436	1	36	0.0	-14.99	327.71	4.61	-10.38
CCCC(NC(=O)C1CCC(OC(F)(F)F)CC1)C1=NN=N[N-]1	REAL000000007437	0	42	-1.0	-45.52	342.01	3.25	-42.27
CCCC(NC(=O)C1CCC(OC(F)(F)F)CC1)C1=N[N-]N=N1	REAL000000007437	1	42	-1.0	-45.53	341.96	3.24	-42.29
CCCC(NC(=O)C1CCC(OC(F)(F)F)CC1)C1=NNN=N1	REAL000000007437	1	43	0.0	-11.45	345.39	3.26	-8.20
CCCC(NC(=O)C(C)CC1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL000000007438	0	41	-1.0	-44.38	367.66	6.57	-37.81
CCCC(NC(=O)C(C)CC1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL000000007438	1	41	-1.0	-44.38	367.60	6.57	-37.80
CCCC(NC(=O)C(C)CC1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000007438	1	42	0.0	-10.39	371.03	6.58	-3.81
CCCC(NC(=O)C1=CC2=CC=C(Br)C=C2O1)C1=NN=N[N-]1	REAL000000007439	0	35	-1.0	-42.75	326.85	4.65	-38.10
CCCC(NC(=O)C1=CC2=CC=C(Br)C=C2O1)C1=N[N-]N=N1	REAL000000007439	1	35	-1.0	-42.75	326.79	4.65	-38.11
CCCC(NC(=O)C1=CC2=CC=C(Br)C=C2O1)C1=NNN=N1	REAL000000007439	1	36	0.0	-8.70	330.22	4.66	-4.04
CCCC(NC(=O)C1=CN(CC(C)NC(=O)OC(C)(C)C)N=C1)C1=NN=N[N-]1	REAL000000007440	0	55	-1.0	-52.87	447.79	2.90	-49.98
CCCC(NC(=O)C1=CN(CC(C)NC(=O)OC(C)(C)C)N=C1)C1=N[N-]N=N1	REAL000000007440	1	55	-1.0	-52.87	447.73	2.90	-49.98
CCCC(NC(=O)C1=CN(CC(C)NC(=O)OC(C)(C)C)N=C1)C1=NNN=N1	REAL000000007440	1	56	0.0	-17.39	451.17	2.91	-14.49
CCCC(NC(=O)CC1CCC2(CCCC2)CC1)C1=NN=N[N-]1	REAL000000007441	0	51	-1.0	-45.45	376.74	6.75	-38.70
CCCC(NC(=O)CC1CCC2(CCCC2)CC1)C1=N[N-]N=N1	REAL000000007441	1	51	-1.0	-45.45	376.69	6.74	-38.71
CCCC(NC(=O)CC1CCC2(CCCC2)CC1)C1=NNN=N1	REAL000000007441	1	52	0.0	-9.37	380.12	6.76	-2.62
CCCC(NC(=O)C1=CC=CC2=C1OCC2C)C1=NN=N[N-]1	REAL000000007442	0	40	-1.0	-53.81	330.10	5.04	-48.76
CCCC(NC(=O)C1=CC=CC2=C1OCC2C)C1=N[N-]N=N1	REAL000000007442	1	40	-1.0	-53.81	330.04	5.05	-48.76
CCCC(NC(=O)C1=CC=CC2=C1OCC2C)C1=NNN=N1	REAL000000007442	1	41	0.0	-11.70	326.30	4.65	-7.05
CCCC(NC(=O)C1=CC=C(C2=CC=CC=N2)S1)C1=NN=N[N-]1	REAL000000007443	0	38	-1.0	-47.73	341.63	4.65	-43.09
CCCC(NC(=O)C1=CC=C(C2=CC=CC=N2)S1)C1=N[N-]N=N1	REAL000000007443	1	38	-1.0	-47.73	341.57	4.65	-43.09
CCCC(NC(=O)C1=CC=C(C2=CC=CC=N2)S1)C1=NNN=N1	REAL000000007443	1	39	0.0	-9.64	337.83	4.32	-5.32
CCCC(NC(=O)C1CC(OC)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000007444	0	56	-1.0	-47.08	422.01	3.48	-43.60
CCCC(NC(=O)C1CC(OC)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000007444	1	56	-1.0	-47.09	421.95	3.48	-43.61
CCCC(NC(=O)C1CC(OC)CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007444	1	57	0.0	-11.60	439.26	3.55	-8.05
CCCC(NC(=O)C1=CN=C2CCOCC2=C1)C1=NN=N[N-]1	REAL000000007445	0	39	-1.0	-45.71	323.29	1.92	-43.79
CCCC(NC(=O)C1=CN=C2CCOCC2=C1)C1=N[N-]N=N1	REAL000000007445	1	39	-1.0	-45.71	323.24	1.91	-43.80
CCCC(NC(=O)C1=CN=C2CCOCC2=C1)C1=NNN=N1	REAL000000007445	1	40	0.0	-11.34	326.67	1.94	-9.41
CCCC(NC(=O)CC1COCC2=CC=CC=C21)C1=NN=N[N-]1	REAL000000007446	0	43	-1.0	-47.45	344.30	4.21	-43.25
CCCC(NC(=O)CC1COCC2=CC=CC=C21)C1=N[N-]N=N1	REAL000000007446	1	43	-1.0	-47.46	344.24	4.21	-43.25
CCCC(NC(=O)CC1COCC2=CC=CC=C21)C1=NNN=N1	REAL000000007446	1	44	0.0	-9.00	340.52	3.89	-5.11
CCCC(NC(=O)C1=CC=CC(C2=NC3=CC=CC=C3O2)=C1)C1=NN=N[N-]1	REAL000000007447	0	44	-1.0	-56.65	377.12	4.42	-52.23
CCCC(NC(=O)C1=CC=CC(C2=NC3=CC=CC=C3O2)=C1)C1=N[N-]N=N1	REAL000000007447	1	44	-1.0	-56.65	377.07	4.43	-52.23
CCCC(NC(=O)C1=CC=CC(C2=NC3=CC=CC=C3O2)=C1)C1=NNN=N1	REAL000000007447	1	45	0.0	-19.85	380.50	4.43	-15.42
CCCC(NC(=O)C#CC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL000000007448	0	34	-1.0	-44.09	327.44	5.60	-38.48
CCCC(NC(=O)C#CC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL000000007448	1	34	-1.0	-44.09	327.38	5.60	-38.48
CCCC(NC(=O)C#CC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000007448	1	35	0.0	-9.95	330.79	5.61	-4.34
CCCC(NC(=O)CC1COC(CNC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000007449	0	56	-1.0	-47.46	440.73	2.01	-45.45
CCCC(NC(=O)CC1COC(CNC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000007449	1	56	-1.0	-47.46	440.68	2.00	-45.46
CCCC(NC(=O)CC1COC(CNC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007449	1	57	0.0	-14.74	444.11	2.02	-12.72
CCCC(NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)O1)C1=NN=N[N-]1	REAL000000007450	0	53	-1.0	-47.40	412.64	4.31	-43.09
CCCC(NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)O1)C1=N[N-]N=N1	REAL000000007450	1	53	-1.0	-47.40	412.58	4.30	-43.10
CCCC(NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)O1)C1=NNN=N1	REAL000000007450	1	54	0.0	-12.30	407.49	3.61	-8.69
CCCC(NC(=O)CC1CCCCCC1(F)F)C1=NN=N[N-]1	REAL000000007451	0	44	-1.0	-44.34	336.17	5.00	-39.33
CCCC(NC(=O)CC1CCCCCC1(F)F)C1=N[N-]N=N1	REAL000000007451	1	44	-1.0	-44.33	336.11	4.99	-39.34
CCCC(NC(=O)CC1CCCCCC1(F)F)C1=NNN=N1	REAL000000007451	1	45	0.0	-7.30	328.72	4.56	-2.74
CCCC(NC(=O)C(C)C1=CC=C(C2=CC=CC=C2Cl)C=C1)C1=NN=N[N-]1	REAL000000007452	0	48	-1.0	-47.21	407.89	8.85	-38.37
CCCC(NC(=O)C(C)C1=CC=C(C2=CC=CC=C2Cl)C=C1)C1=N[N-]N=N1	REAL000000007452	1	48	-1.0	-47.21	407.83	8.84	-38.37
CCCC(NC(=O)C(C)C1=CC=C(C2=CC=CC=C2Cl)C=C1)C1=NNN=N1	REAL000000007452	1	49	0.0	-13.25	411.28	8.86	-4.39
CCCC(NC(=O)C1=C2C=C(C(=O)OC)C=CC2=NN1)C1=NN=N[N-]1	REAL000000007453	0	41	-1.0	-50.98	356.02	2.98	-48.00
CCCC(NC(=O)C1=C2C=C(C(=O)OC)C=CC2=NN1)C1=N[N-]N=N1	REAL000000007453	1	41	-1.0	-50.98	355.96	2.98	-47.99
CCCC(NC(=O)C1=C2C=C(C(=O)OC)C=CC2=NN1)C1=NNN=N1	REAL000000007453	1	42	0.0	-16.47	359.39	2.99	-13.48
CCCC(NC(=O)C1CC(C2CN(C(=O)OC(C)(C)C)C2)=NO1)C1=NN=N[N-]1	REAL000000007454	0	54	-1.0	-54.63	438.87	4.43	-50.20
CCCC(NC(=O)C1CC(C2CN(C(=O)OC(C)(C)C)C2)=NO1)C1=N[N-]N=N1	REAL000000007454	1	54	-1.0	-54.62	438.81	4.43	-50.19
CCCC(NC(=O)C1CC(C2CN(C(=O)OC(C)(C)C)C2)=NO1)C1=NNN=N1	REAL000000007454	1	55	0.0	-20.08	435.08	4.02	-16.06
CCCC(NC(=O)C(CC(=O)OC)N1CCCCC1)C1=NN=N[N-]1	REAL000000007455	0	49	-1.0	-46.80	380.62	3.16	-43.64
CCCC(NC(=O)C(CC(=O)OC)[NH+]1CCCCC1)C1=NN=N[N-]1	REAL000000007455	1	50	0.0	-45.25	379.79	4.97	-40.28
CCCC(NC(=O)[C@@]1(F)C[C@@H](C(=O)OCC)C1)C1=NN=N[N-]1	REAL000000007456	0	41	-1.0	-45.96	348.39	4.28	-41.68
CCCC(NC(=O)[C@@]1(F)C[C@@H](C(=O)OCC)C1)C1=N[N-]N=N1	REAL000000007456	1	41	-1.0	-45.95	348.33	4.27	-41.69
CCCC(NC(=O)[C@@]1(F)C[C@@H](C(=O)OCC)C1)C1=NNN=N1	REAL000000007456	1	42	0.0	-11.73	351.82	4.29	-7.44
CCCC(NC(=O)[C@@]1(F)C[C@H](C(=O)OCC)C1)C1=NN=N[N-]1	REAL000000007457	0	41	-1.0	-44.58	347.37	4.25	-40.33
CCCC(NC(=O)[C@@]1(F)C[C@H](C(=O)OCC)C1)C1=N[N-]N=N1	REAL000000007457	1	41	-1.0	-44.58	347.31	4.24	-40.34
CCCC(NC(=O)[C@@]1(F)C[C@H](C(=O)OCC)C1)C1=NNN=N1	REAL000000007457	1	42	0.0	-9.60	351.67	4.24	-5.37
CCCC(NC(=O)C1=CC(CNC(=O)OC(C)(C)C)=NN1)C1=NN=N[N-]1	REAL000000007458	0	49	-1.0	-45.64	404.61	0.47	-45.18
CCCC(NC(=O)C1=CC(CNC(=O)OC(C)(C)C)=NN1)C1=N[N-]N=N1	REAL000000007458	1	49	-1.0	-45.63	404.55	0.46	-45.18
CCCC(NC(=O)C1=CC(CNC(=O)OC(C)(C)C)=NN1)C1=NNN=N1	REAL000000007458	1	50	0.0	-13.55	407.99	0.47	-13.08
CCCC(NC(=O)CC1CCCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007459	0	55	-1.0	-50.12	403.05	5.32	-44.80
CCCC(NC(=O)CC1CCCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007459	1	55	-1.0	-50.12	402.99	5.32	-44.80
CCCC(NC(=O)CC1CCCCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007459	1	56	0.0	-10.44	417.78	5.57	-4.87
CCCC(NC(=O)[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)C1=NN=N[N-]1	REAL000000007460	0	56	-1.0	-49.58	430.23	5.38	-44.20
CCCC(NC(=O)[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)C1=N[N-]N=N1	REAL000000007460	1	56	-1.0	-49.58	430.17	5.37	-44.21
CCCC(NC(=O)[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)C1=NNN=N1	REAL000000007460	1	57	0.0	-12.42	426.43	5.05	-7.36
CCCC(NC(=O)C12CC(C)(C1)CN2C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007461	0	53	-1.0	-54.69	411.43	5.28	-49.41
CCCC(NC(=O)C12CC(C)(C1)CN2C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007461	1	53	-1.0	-54.69	411.38	5.28	-49.41
CCCC(NC(=O)C12CC(C)(C1)CN2C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007461	1	54	0.0	-10.66	410.39	4.76	-5.90
CCCC(NC(=O)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000007462	0	44	-1.0	-55.57	370.98	6.89	-48.68
CCCC(NC(=O)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000007462	1	44	-1.0	-55.57	370.92	6.88	-48.69
CCCC(NC(=O)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000007462	1	45	0.0	-15.34	367.15	6.57	-8.77
CCCC(NC(=O)C1CCS(=O)(=O)C(C)C1)C1=NN=N[N-]1	REAL000000007463	0	41	-1.0	-54.13	339.02	0.67	-53.46
CCCC(NC(=O)C1CCS(=O)(=O)C(C)C1)C1=N[N-]N=N1	REAL000000007463	1	41	-1.0	-54.14	338.97	0.68	-53.46
CCCC(NC(=O)C1CCS(=O)(=O)C(C)C1)C1=NNN=N1	REAL000000007463	1	42	0.0	-20.42	342.41	0.68	-19.73
CCCC(NC(=O)[C@@H]1C[C@]12CCCC1=CC=CC=C12)C1=NN=N[N-]1	REAL000000007464	0	46	-1.0	-46.33	362.34	7.20	-39.13
CCCC(NC(=O)[C@@H]1C[C@]12CCCC1=CC=CC=C12)C1=N[N-]N=N1	REAL000000007464	1	46	-1.0	-46.33	362.28	7.20	-39.12
CCCC(NC(=O)[C@@H]1C[C@]12CCCC1=CC=CC=C12)C1=NNN=N1	REAL000000007464	1	47	0.0	-9.68	365.73	7.21	-2.46
CCCC(NC(=O)C1=CC=CC(N2CCCNS2(=O)=O)=C1)C1=NN=N[N-]1	REAL000000007465	0	46	-1.0	-51.67	387.90	0.67	-51.00
CCCC(NC(=O)C1=CC=CC(N2CCCNS2(=O)=O)=C1)C1=N[N-]N=N1	REAL000000007465	1	46	-1.0	-51.67	387.84	0.67	-51.00
CCCC(NC(=O)C1=CC=CC(N2CCCNS2(=O)=O)=C1)C1=NNN=N1	REAL000000007465	1	47	0.0	-15.31	384.07	0.34	-14.96
CCCC(NC(=O)C1CC(=O)N(C(C)C2CC2)C1)C1=NN=N[N-]1	REAL000000007466	0	46	-1.0	-44.06	365.81	4.16	-39.90
CCCC(NC(=O)C1CC(=O)N(C(C)C2CC2)C1)C1=N[N-]N=N1	REAL000000007466	1	46	-1.0	-44.06	365.75	4.17	-39.90
CCCC(NC(=O)C1CC(=O)N(C(C)C2CC2)C1)C1=NNN=N1	REAL000000007466	1	47	0.0	-12.86	369.19	4.16	-8.70
CCCC(NC(=O)C1CCC2=NC(CC)=CN2C1)C1=NN=N[N-]1	REAL000000007467	0	45	-1.0	-45.28	362.41	5.12	-40.16
CCCC(NC(=O)C1CCC2=NC(CC)=CN2C1)C1=N[N-]N=N1	REAL000000007467	1	45	-1.0	-45.28	362.35	5.13	-40.15
CCCC(NC(=O)C1CCC2=NC(CC)=CN2C1)C1=NNN=N1	REAL000000007467	1	46	0.0	-14.31	365.75	5.14	-9.17
CCCC(NC(=O)C1=CC=C(CC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000007468	0	45	-1.0	-47.97	377.14	8.08	-39.88
CCCC(NC(=O)C1=CC=C(CC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000007468	1	45	-1.0	-47.97	377.09	8.08	-39.89
CCCC(NC(=O)C1=CC=C(CC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000007468	1	46	0.0	-12.26	380.52	8.09	-4.17
CCCC(NC(=O)C1CC(=O)N([C@@H](C)C2=CC=C(Cl)C=C2)C1)C1=NN=N[N-]1	REAL000000007469	0	49	-1.0	-45.12	411.33	6.64	-38.48
CCCC(NC(=O)C1CC(=O)N([C@@H](C)C2=CC=C(Cl)C=C2)C1)C1=N[N-]N=N1	REAL000000007469	1	49	-1.0	-45.11	411.27	6.63	-38.48
CCCC(NC(=O)C1CC(=O)N([C@@H](C)C2=CC=C(Cl)C=C2)C1)C1=NNN=N1	REAL000000007469	1	50	0.0	-18.00	411.56	6.70	-11.30
CCCC(NC(=O)C1=CN=CC(N2C=CN=C2)=N1)C1=NN=N[N-]1	REAL000000007470	0	37	-1.0	-45.96	324.70	3.55	-42.41
CCCC(NC(=O)C1=CN=CC(N2C=CN=C2)=N1)C1=N[N-]N=N1	REAL000000007470	1	37	-1.0	-45.96	324.64	3.54	-42.42
CCCC(NC(=O)C1=CN=CC(N2C=CN=C2)=N1)C1=NNN=N1	REAL000000007470	1	38	0.0	-10.54	320.84	3.23	-7.31
CCCC(NC(=O)CC1=CC=CC2=C1OC(C)(C)C2)C1=NN=N[N-]1	REAL000000007471	0	46	-1.0	-48.62	376.35	5.56	-43.05
CCCC(NC(=O)CC1=CC=CC2=C1OC(C)(C)C2)C1=N[N-]N=N1	REAL000000007471	1	46	-1.0	-48.61	376.29	5.55	-43.06
CCCC(NC(=O)CC1=CC=CC2=C1OC(C)(C)C2)C1=NNN=N1	REAL000000007471	1	47	0.0	-13.78	379.73	5.57	-8.21
CCCC(NC(=O)CCCOC1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL000000007472	0	44	-1.0	-54.01	378.56	5.41	-48.61
CCCC(NC(=O)CCCOC1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL000000007472	1	44	-1.0	-54.00	378.50	5.40	-48.61
CCCC(NC(=O)CCCOC1=CC=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000007472	1	45	0.0	-20.00	381.93	5.42	-14.58
CCCC(NC(=O)C1=CC=C2N=CN(C)C(=O)C2=C1)C1=NN=N[N-]1	REAL000000007473	0	40	-1.0	-58.45	340.82	4.33	-54.12
CCCC(NC(=O)C1=CC=C2N=CN(C)C(=O)C2=C1)C1=N[N-]N=N1	REAL000000007473	1	40	-1.0	-58.44	340.76	4.33	-54.11
CCCC(NC(=O)C1=CC=C2N=CN(C)C(=O)C2=C1)C1=NNN=N1	REAL000000007473	1	41	0.0	-21.38	343.86	4.35	-17.03
CCCC(NC(=O)C1=CC=CC(NC(=O)OC(C)(C)C)=C1F)C1=NN=N[N-]1	REAL000000007475	0	49	-1.0	-50.57	399.38	4.00	-46.57
CCCC(NC(=O)C1=CC=CC(NC(=O)OC(C)(C)C)=C1F)C1=N[N-]N=N1	REAL000000007475	1	49	-1.0	-50.57	399.32	3.99	-46.58
CCCC(NC(=O)C1=CC=CC(NC(=O)OC(C)(C)C)=C1F)C1=NNN=N1	REAL000000007475	1	50	0.0	-11.52	396.38	3.71	-7.80
CCCC(NC(=O)C(F)C(C)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007476	0	51	-1.0	-53.01	410.22	2.56	-50.45
CCCC(NC(=O)C(F)C(C)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007476	1	51	-1.0	-53.01	410.16	2.55	-50.46
CCCC(NC(=O)C(F)C(C)CNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007476	1	52	0.0	-14.42	413.60	2.57	-11.85
CCCC(NC(=O)C1CC2(C1)CCN(C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL000000007477	0	56	-1.0	-48.06	431.20	5.36	-42.70
CCCC(NC(=O)C1CC2(C1)CCN(C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL000000007477	1	56	-1.0	-48.06	431.15	5.36	-42.70
CCCC(NC(=O)C1CC2(C1)CCN(C(=O)OC(C)(C)C)C2)C1=NNN=N1	REAL000000007477	1	57	0.0	-12.41	434.58	5.37	-7.04
CCCC(NC(=O)[C@H](CF)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007478	0	45	-1.0	-46.02	366.53	1.40	-44.62
CCCC(NC(=O)[C@H](CF)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007478	1	45	-1.0	-46.02	366.47	1.40	-44.62
CCCC(NC(=O)[C@H](CF)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007478	1	46	0.0	-12.21	369.90	1.41	-10.80
CCCC(NC(=O)C1=CC(Cl)=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL000000007479	0	32	-1.0	-40.52	313.08	4.72	-35.80
CCCC(NC(=O)C1=CC(Cl)=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL000000007479	1	32	-1.0	-40.51	313.02	4.71	-35.80
CCCC(NC(=O)C1=CC(Cl)=C(F)C(Cl)=C1)C1=NNN=N1	REAL000000007479	1	33	0.0	-9.23	316.46	4.72	-4.51
CCCC(NC(=O)C1=CC=CC(NC(=O)[C@@H]2C[C@H]2C)=C1)C1=NN=N[N-]1	REAL000000007480	0	46	-1.0	-62.13	382.94	4.81	-57.32
CCCC(NC(=O)C1=CC=CC(NC(=O)[C@@H]2C[C@H]2C)=C1)C1=N[N-]N=N1	REAL000000007480	1	46	-1.0	-62.13	382.88	4.81	-57.32
CCCC(NC(=O)C1=CC=CC(NC(=O)[C@@H]2C[C@H]2C)=C1)C1=NNN=N1	REAL000000007480	1	47	0.0	-21.30	386.32	4.82	-16.48
CCCC(NC(=O)COCC1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000007481	0	59	-1.0	-50.28	459.49	5.74	-44.54
CCCC(NC(=O)COCC1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000007481	1	59	-1.0	-50.28	459.43	5.73	-44.55
CCCC(NC(=O)COCC1CCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000007481	1	60	0.0	-14.01	455.71	5.32	-8.69
CCCC(NC(=O)C1=CN([C@@H]2COC[C@@H]2F)N=N1)C1=NN=N[N-]1	REAL000000007482	0	39	-1.0	-48.15	334.27	0.28	-47.87
CCCC(NC(=O)C1=CN([C@@H]2COC[C@@H]2F)N=N1)C1=N[N-]N=N1	REAL000000007482	1	39	-1.0	-48.15	334.21	0.28	-47.87
CCCC(NC(=O)C1=CN([C@@H]2COC[C@@H]2F)N=N1)C1=NNN=N1	REAL000000007482	1	40	0.0	-12.89	337.64	0.29	-12.60
CCCC(NC(=O)CCCOC1CCC(C)CC1)C1=NN=N[N-]1	REAL000000007483	0	51	-1.0	-48.09	396.66	5.60	-42.49
CCCC(NC(=O)CCCOC1CCC(C)CC1)C1=N[N-]N=N1	REAL000000007483	1	51	-1.0	-48.08	396.60	5.60	-42.48
CCCC(NC(=O)CCCOC1CCC(C)CC1)C1=NNN=N1	REAL000000007483	1	52	0.0	-12.04	400.03	5.61	-6.43
CCCC(NC(=O)C1=CC=C(NC(=O)[C@@H]2C[C@H]2C)C=C1)C1=NN=N[N-]1	REAL000000007484	0	46	-1.0	-49.90	382.83	4.83	-45.07
CCCC(NC(=O)C1=CC=C(NC(=O)[C@@H]2C[C@H]2C)C=C1)C1=N[N-]N=N1	REAL000000007484	1	46	-1.0	-49.90	382.77	4.82	-45.09
CCCC(NC(=O)C1=CC=C(NC(=O)[C@@H]2C[C@H]2C)C=C1)C1=NNN=N1	REAL000000007484	1	47	0.0	-14.14	386.21	4.83	-9.31
CCCC(NC(=O)CC1CC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL000000007485	0	43	-1.0	-53.91	352.45	4.63	-49.28
CCCC(NC(=O)CC1CC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL000000007485	1	43	-1.0	-53.91	352.39	4.63	-49.28
CCCC(NC(=O)CC1CC2=CC=CC=C2NC1=O)C1=NNN=N1	REAL000000007485	1	44	0.0	-18.60	355.82	4.64	-13.96
CCCC(NC(=O)C1CCC2NC(=O)C(C)(C)C2C1)C1=NN=N[N-]1	REAL000000007486	0	49	-1.0	-54.28	370.15	2.04	-52.24
CCCC(NC(=O)C1CCC2NC(=O)C(C)(C)C2C1)C1=N[N-]N=N1	REAL000000007486	1	49	-1.0	-54.28	370.10	2.03	-52.25
CCCC(NC(=O)C1CCC2NC(=O)C(C)(C)C2C1)C1=NNN=N1	REAL000000007486	1	50	0.0	-16.00	373.61	2.05	-13.95
CCCC(NC(=O)C1=CC=C(C2(OC)CCOCC2)N=C1)C1=NN=N[N-]1	REAL000000007487	0	49	-1.0	-44.48	388.84	2.38	-42.11
CCCC(NC(=O)C1=CC=C(C2(OC)CCOCC2)N=C1)C1=N[N-]N=N1	REAL000000007487	1	49	-1.0	-44.49	388.78	2.37	-42.12
CCCC(NC(=O)C1=CC=C(C2(OC)CCOCC2)N=C1)C1=NNN=N1	REAL000000007487	1	50	0.0	-11.10	392.21	2.38	-8.72
CCCC(NC(=O)C1=NOC(CCNC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL000000007488	0	51	-1.0	-51.47	423.00	2.30	-49.17
CCCC(NC(=O)C1=NOC(CCNC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL000000007488	1	51	-1.0	-51.47	422.94	2.30	-49.17
CCCC(NC(=O)C1=NOC(CCNC(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000007488	1	52	0.0	-14.92	426.37	2.31	-12.62
CCCC(NC(=O)C1=CC=C2SN=CC2=C1)C1=NN=N[N-]1	REAL000000007489	0	34	-1.0	-44.82	305.94	3.82	-41.00
CCCC(NC(=O)C1=CC=C2SN=CC2=C1)C1=N[N-]N=N1	REAL000000007489	1	34	-1.0	-44.81	305.89	3.82	-40.99
CCCC(NC(=O)C1=CC=C2SN=CC2=C1)C1=NNN=N1	REAL000000007489	1	35	0.0	-12.48	309.32	3.83	-8.65
CCCC(NC(=O)C1=CC=C(CN(C)C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL000000007490	0	50	-1.0	-47.68	402.55	7.81	-39.86
CCCC(NC(=O)C1=CC=C(CN(C)C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL000000007490	1	50	-1.0	-47.68	402.50	7.82	-39.86
CCCC(NC(=O)C1=CC=C(CN(C)C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000007490	1	51	0.0	-13.25	405.94	7.82	-5.43
CCCC(NC(=O)C1=CC=C2C(=O)N(C)C=NC2=C1)C1=NN=N[N-]1	REAL000000007491	0	40	-1.0	-52.34	340.49	4.34	-48.00
CCCC(NC(=O)C1=CC=C2C(=O)N(C)C=NC2=C1)C1=N[N-]N=N1	REAL000000007491	1	40	-1.0	-52.35	340.44	4.34	-48.00
CCCC(NC(=O)C1=CC=C2C(=C1)N=CN(C)C2=O)C1=NNN=N1	REAL000000007491	1	41	0.0	-17.82	344.20	4.35	-13.48
CCCC(NC(=O)C1=CC(C)=NC2=CC(C(F)(F)F)=NN21)C1=NN=N[N-]1	REAL000000007492	0	40	-1.0	-45.12	357.41	4.41	-40.71
CCCC(NC(=O)C1=CC(C)=NC2=CC(C(F)(F)F)=NN21)C1=N[N-]N=N1	REAL000000007492	1	40	-1.0	-45.13	357.36	4.41	-40.71
CCCC(NC(=O)C1=CC(C)=NC2=CC(C(F)(F)F)=NN21)C1=NNN=N1	REAL000000007492	1	41	0.0	-10.35	353.59	4.10	-6.25
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC(OC)=C(C)C=C1OC)C1=NN=N[N-]1	REAL000000007493	0	50	-1.0	-49.38	404.81	5.08	-44.30
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC(OC)=C(C)C=C1OC)C1=N[N-]N=N1	REAL000000007493	1	50	-1.0	-49.38	404.76	5.07	-44.31
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC(OC)=C(C)C=C1OC)C1=NNN=N1	REAL000000007493	1	51	0.0	-10.94	401.02	4.76	-6.18
CCCC(NC(=O)CC1CCCCC1(F)F)C1=NN=N[N-]1	REAL000000007494	0	41	-1.0	-43.21	328.79	4.66	-38.55
CCCC(NC(=O)CC1CCCCC1(F)F)C1=N[N-]N=N1	REAL000000007494	1	41	-1.0	-43.20	328.73	4.66	-38.55
CCCC(NC(=O)CC1CCCCC1(F)F)C1=NNN=N1	REAL000000007494	1	42	0.0	-8.45	332.18	4.67	-3.78
CCCC(NC(=O)[C@H]1[C@@H](NC(=O)OC(C)(C)C)C1(C)C)C1=NN=N[N-]1	REAL000000007495	0	52	-1.0	-47.49	406.28	3.59	-43.90
CCCC(NC(=O)[C@H]1[C@@H](NC(=O)OC(C)(C)C)C1(C)C)C1=N[N-]N=N1	REAL000000007495	1	52	-1.0	-47.48	406.22	3.59	-43.89
CCCC(NC(=O)[C@H]1[C@@H](NC(=O)OC(C)(C)C)C1(C)C)C1=NNN=N1	REAL000000007495	1	53	0.0	-9.80	409.64	3.60	-6.20
CCCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1=CC=CN=C1)C1=NN=N[N-]1	REAL000000007496	0	54	-1.0	-52.19	438.46	3.92	-48.27
CCCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1=CC=CN=C1)C1=N[N-]N=N1	REAL000000007496	1	54	-1.0	-52.17	438.40	3.91	-48.26
CCCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1=CC=CN=C1)C1=NNN=N1	REAL000000007496	1	55	0.0	-17.14	441.84	3.92	-13.22
CCCC(NC(=O)[C@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C1=NN=N[N-]1	REAL000000007497	0	54	-1.0	-65.30	417.98	2.85	-62.45
CCCC(NC(=O)[C@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C1=N[N-]N=N1	REAL000000007497	1	54	-1.0	-65.29	417.92	2.85	-62.44
CCCC(NC(=O)[C@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C1=NNN=N1	REAL000000007497	1	55	0.0	-15.77	413.52	2.58	-13.18
CCCC(NC(=O)C1=CC=C(C2=CC=NN2C)C=C1)C1=NN=N[N-]1	REAL000000007498	0	42	-1.0	-48.34	349.58	4.63	-43.71
CCCC(NC(=O)C1=CC=C(C2=CC=NN2C)C=C1)C1=N[N-]N=N1	REAL000000007498	1	42	-1.0	-48.34	349.52	4.63	-43.72
CCCC(NC(=O)C1=CC=C(C2=CC=NN2C)C=C1)C1=NNN=N1	REAL000000007498	1	43	0.0	-14.33	353.00	4.65	-9.69
CCCC(NC(=O)C12CCC(C1)S(=O)(=O)CC2)C1=NN=N[N-]1	REAL000000007499	0	42	-1.0	-51.49	334.17	0.76	-50.73
CCCC(NC(=O)C12CCC(C1)S(=O)(=O)CC2)C1=N[N-]N=N1	REAL000000007499	1	42	-1.0	-51.48	334.12	0.76	-50.73
CCCC(NC(=O)C12CCC(C1)S(=O)(=O)CC2)C1=NNN=N1	REAL000000007499	1	43	0.0	-15.57	330.60	0.43	-15.14
CCCC(NC(=O)C1CCCC2=NC=CC=C21)C1=NN=N[N-]1	REAL000000007500	0	41	-1.0	-46.06	330.15	4.35	-41.71
CCCC(NC(=O)C1CCCC2=NC=CC=C21)C1=N[N-]N=N1	REAL000000007500	1	41	-1.0	-46.06	330.09	4.34	-41.71
CCCC(NC(=O)C1CCCC2=NC=CC=C21)C1=NNN=N1	REAL000000007500	1	42	0.0	-9.03	325.53	4.24	-4.79
CCCC(NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1(C)C)C1=NN=N[N-]1	REAL000000007501	0	61	-1.0	-46.80	450.69	6.42	-40.38
CCCC(NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1(C)C)C1=N[N-]N=N1	REAL000000007501	1	61	-1.0	-46.80	450.63	6.42	-40.38
CCCC(NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1(C)C)C1=NNN=N1	REAL000000007501	1	62	0.0	-10.05	446.87	6.11	-3.94
CCCC(NC(=O)[C@H](CSCC)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007502	0	52	-1.0	-44.88	422.20	3.26	-41.62
CCCC(NC(=O)[C@H](CSCC)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007502	1	52	-1.0	-44.88	422.14	3.25	-41.63
CCCC(NC(=O)[C@H](CSCC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007502	1	53	0.0	-10.48	425.57	3.27	-7.21
CCCC(NC(=O)CCC1=C(F)C=CC=C1Cl)C1=NN=N[N-]1	REAL000000007503	0	38	-1.0	-47.37	339.74	5.58	-41.79
CCCC(NC(=O)CCC1=C(F)C=CC=C1Cl)C1=N[N-]N=N1	REAL000000007503	1	38	-1.0	-47.37	339.68	5.58	-41.79
CCCC(NC(=O)CCC1=C(F)C=CC=C1Cl)C1=NNN=N1	REAL000000007503	1	39	0.0	-11.23	343.11	5.59	-5.64
CCCC(NC(=O)C1=CN(C)C2=CC=C(Cl)C=C12)C1=NN=N[N-]1	REAL000000007504	0	39	-1.0	-55.77	345.73	5.85	-49.92
CCCC(NC(=O)C1=CN(C)C2=CC=C(Cl)C=C12)C1=N[N-]N=N1	REAL000000007504	1	39	-1.0	-55.77	345.67	5.85	-49.92
CCCC(NC(=O)C1=CN(C)C2=CC=C(Cl)C=C12)C1=NNN=N1	REAL000000007504	1	40	0.0	-17.96	349.11	5.86	-12.10
CCCC(NC(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)C1=NN=N[N-]1	REAL000000007505	0	34	-2.0	-90.03	309.48	-0.58	-90.61
CCCC(NC(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)C1=N[N-]N=N1	REAL000000007505	1	34	-2.0	-90.03	309.42	-0.59	-90.62
CCCC(NC(=O)C1=CC=C(N2CCNS2(=O)=O)C=C1)C1=NN=N[N-]1	REAL000000007506	0	43	-1.0	-59.10	366.78	-0.24	-59.33
CCCC(NC(=O)C1=CC=C(N2CCNS2(=O)=O)C=C1)C1=N[N-]N=N1	REAL000000007506	1	43	-1.0	-59.09	366.72	-0.24	-59.33
CCCC(NC(=O)C1=CC=C(N2CCNS2(=O)=O)C=C1)C1=NNN=N1	REAL000000007506	1	44	0.0	-19.24	362.97	-0.56	-19.80
CCCC(NC(=O)CCC(F)(F)CN=[N+]=[N-])C1=NN=N[N-]1	REAL000000007507	0	36	-1.0	-43.46	323.01	-0.32	-43.78
CCCC(NC(=O)CCC(F)(F)CN=[N+]=[N-])C1=N[N-]N=N1	REAL000000007507	1	36	-1.0	-43.45	322.95	-0.33	-43.79
CCCC(NC(=O)CCC(F)(F)CN=[N+]=[N-])C1=NNN=N1	REAL000000007507	1	37	0.0	-11.06	326.36	-0.32	-11.38
CCCC(NC(=O)C1=C2CCCN2N=C1CN=[N+]=[N-])C1=NN=N[N-]1	REAL000000007508	0	41	-1.0	-48.21	356.81	-0.64	-48.85
CCCC(NC(=O)C1=C2CCCN2N=C1CN=[N+]=[N-])C1=N[N-]N=N1	REAL000000007508	1	41	-1.0	-48.21	356.75	-0.64	-48.86
CCCC(NC(=O)C1=C2CCCN2N=C1CN=[N+]=[N-])C1=NNN=N1	REAL000000007508	1	42	0.0	-13.00	352.99	-0.96	-13.95
CCCC(NC(=O)C1(N=[N+]=[N-])CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000007509	0	54	-1.0	-42.45	419.17	1.86	-40.58
CCCC(NC(=O)C1(N=[N+]=[N-])CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000007509	1	54	-1.0	-42.45	419.11	1.86	-40.59
CCCC(NC(=O)C1(N=[N+]=[N-])CCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000007509	1	55	0.0	-11.25	424.94	2.28	-8.97
CCCC(NC(=O)C1=C2C=CNC2=NC(C)=N1)C1=NN=N[N-]1	REAL000000007510	0	37	-1.0	-49.30	317.77	2.74	-46.56
CCCC(NC(=O)C1=C2C=CNC2=NC(C)=N1)C1=N[N-]N=N1	REAL000000007510	1	37	-1.0	-49.30	317.71	2.73	-46.57
CCCC(NC(=O)C1=C2C=CNC2=NC(C)=N1)C1=NNN=N1	REAL000000007510	1	38	0.0	-11.19	313.97	2.42	-8.77
CCCC(NC(=O)CCC1=CC=CC=C1N=[N+]=[N-])C1=NN=N[N-]1	REAL000000007511	0	40	-1.0	-44.37	346.78	2.90	-41.47
CCCC(NC(=O)CCC1=CC=CC=C1N=[N+]=[N-])C1=N[N-]N=N1	REAL000000007511	1	40	-1.0	-44.37	346.72	2.90	-41.47
CCCC(NC(=O)CCC1=CC=CC=C1N=[N+]=[N-])C1=NNN=N1	REAL000000007511	1	41	0.0	-8.24	342.96	2.58	-5.66
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC(C)(C)O1)C1=NN=N[N-]1	REAL000000007512	0	56	-1.0	-47.15	433.19	4.90	-42.25
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC(C)(C)O1)C1=N[N-]N=N1	REAL000000007512	1	56	-1.0	-47.14	433.13	4.90	-42.24
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC(C)(C)O1)C1=NNN=N1	REAL000000007512	1	57	0.0	-13.16	436.57	4.92	-8.25
CCCC(NC(=O)CC1=C(CC)C=CC=C1CC)C1=NN=N[N-]1	REAL000000007513	0	47	-1.0	-46.39	367.40	6.57	-39.82
CCCC(NC(=O)CC1=C(CC)C=CC=C1CC)C1=N[N-]N=N1	REAL000000007513	1	47	-1.0	-46.39	367.35	6.57	-39.81
CCCC(NC(=O)CC1=C(CC)C=CC=C1CC)C1=NNN=N1	REAL000000007513	1	48	0.0	-10.67	370.79	6.58	-4.09
CCCC(NC(=O)CC1=CC=CC(OCC2CC2)=C1)C1=NN=N[N-]1	REAL000000007514	0	46	-1.0	-47.31	382.01	6.15	-41.15
CCCC(NC(=O)CC1=CC=CC(OCC2CC2)=C1)C1=N[N-]N=N1	REAL000000007514	1	46	-1.0	-47.31	381.95	6.14	-41.16
CCCC(NC(=O)CC1=CC=CC(OCC2CC2)=C1)C1=NNN=N1	REAL000000007514	1	47	0.0	-10.09	378.20	5.83	-4.26
CCCC(NC(=O)C1CC2(CC(OCC3=CC=CC=C3)C2)C1)C1=NN=N[N-]1	REAL000000007515	0	53	-1.0	-48.05	429.75	7.48	-40.56
CCCC(NC(=O)C1CC2(CC(OCC3=CC=CC=C3)C2)C1)C1=N[N-]N=N1	REAL000000007515	1	53	-1.0	-48.05	429.69	7.47	-40.57
CCCC(NC(=O)C1CC2(CC(OCC3=CC=CC=C3)C2)C1)C1=NNN=N1	REAL000000007515	1	54	0.0	-12.48	433.13	7.49	-4.99
CCCC(NC(=O)C1CC1C1=CN(C(C)C)N=C1)C1=NN=N[N-]1	REAL000000007516	0	45	-1.0	-47.05	371.57	4.88	-42.17
CCCC(NC(=O)C1CC1C1=CN(C(C)C)N=C1)C1=N[N-]N=N1	REAL000000007516	1	45	-1.0	-47.05	371.51	4.88	-42.17
CCCC(NC(=O)C1CC1C1=CN(C(C)C)N=C1)C1=NNN=N1	REAL000000007516	1	46	0.0	-12.53	374.93	4.89	-7.64
CCCC(NC(=O)C1=CC=C(OCC(F)F)C=C1)C1=NN=N[N-]1	REAL000000007517	0	39	-1.0	-51.29	338.62	4.21	-47.08
CCCC(NC(=O)C1=CC=C(OCC(F)F)C=C1)C1=N[N-]N=N1	REAL000000007517	1	39	-1.0	-51.29	338.57	4.20	-47.08
CCCC(NC(=O)C1=CC=C(OCC(F)F)C=C1)C1=NNN=N1	REAL000000007517	1	40	0.0	-16.55	342.00	4.22	-12.33
CCCC(NC(=O)C1=NN(CC)C(Br)=C1Cl)C1=NN=N[N-]1	REAL000000007518	0	35	-1.0	-46.10	337.03	3.26	-42.84
CCCC(NC(=O)C1=NN(CC)C(Br)=C1Cl)C1=N[N-]N=N1	REAL000000007518	1	35	-1.0	-46.09	336.97	3.25	-42.84
CCCC(NC(=O)C1=NN(CC)C(Br)=C1Cl)C1=NNN=N1	REAL000000007518	1	36	0.0	-10.45	340.41	3.27	-7.18
CCCC(NC(=O)C1=CC(F)=CC(C(N)=O)=C1)C1=NN=N[N-]1	REAL000000007519	0	36	-1.0	-52.08	315.26	0.51	-51.57
CCCC(NC(=O)C1=CC(F)=CC(C(N)=O)=C1)C1=N[N-]N=N1	REAL000000007519	1	36	-1.0	-52.08	315.20	0.50	-51.58
CCCC(NC(=O)C1=CC(F)=CC(C(N)=O)=C1)C1=NNN=N1	REAL000000007519	1	37	0.0	-16.81	318.63	0.52	-16.29
CCCC(NC(=O)C1=NN(C)N=C1Br)C1=NN=N[N-]1	REAL000000007520	0	31	-1.0	-44.90	294.25	0.28	-44.62
CCCC(NC(=O)C1=NN(C)N=C1Br)C1=N[N-]N=N1	REAL000000007520	1	31	-1.0	-44.90	294.20	0.27	-44.62
CCCC(NC(=O)C1=NN(C)N=C1Br)C1=NNN=N1	REAL000000007520	1	32	0.0	-8.90	290.44	-0.04	-8.95
CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2)C(=O)C=C1)C1=NN=N[N-]1	REAL000000007521	0	42	-1.0	-47.48	376.74	6.35	-41.14
CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2)C(=O)C=C1)C1=N[N-]N=N1	REAL000000007521	1	42	-1.0	-47.48	376.68	6.34	-41.14
CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2)C(=O)C=C1)C1=NNN=N1	REAL000000007521	1	43	0.0	-12.58	372.93	6.02	-6.56
CCCC(NC(=O)C1=COC2=C1CN(C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL000000007522	0	50	-1.0	-53.80	409.15	4.08	-49.72
CCCC(NC(=O)C1=COC2=C1CN(C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL000000007522	1	50	-1.0	-53.80	409.09	4.08	-49.72
CCCC(NC(=O)C1=COC2=C1CN(C(=O)OC(C)(C)C)C2)C1=NNN=N1	REAL000000007522	1	51	0.0	-18.15	412.53	4.09	-14.07
CCCC(NC(=O)C1C2CCCC(NC(=O)OC(C)(C)C)C21)C1=NN=N[N-]1	REAL000000007523	0	56	-1.0	-46.54	410.41	4.19	-42.36
CCCC(NC(=O)C1C2CCCC(NC(=O)OC(C)(C)C)C21)C1=N[N-]N=N1	REAL000000007523	1	56	-1.0	-46.55	410.35	4.18	-42.37
CCCC(NC(=O)C1C2CCCC(NC(=O)OC(C)(C)C)C21)C1=NNN=N1	REAL000000007523	1	57	0.0	-11.80	424.36	4.48	-7.32
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C2C=CC=CC2=C1)C1=NN=N[N-]1	REAL000000007524	0	40	-1.0	-45.53	345.39	6.46	-39.07
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C2C=CC=CC2=C1)C1=N[N-]N=N1	REAL000000007524	1	40	-1.0	-45.53	345.34	6.45	-39.09
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000007524	1	41	0.0	-10.75	341.57	6.13	-4.62
CCCC(NC(=O)C1CCOC2(CCCCC2)C1)C1=NN=N[N-]1	REAL000000007525	0	49	-1.0	-45.03	365.59	4.68	-40.35
CCCC(NC(=O)C1CCOC2(CCCCC2)C1)C1=N[N-]N=N1	REAL000000007525	1	49	-1.0	-45.03	365.54	4.68	-40.35
CCCC(NC(=O)C1CCOC2(CCCCC2)C1)C1=NNN=N1	REAL000000007525	1	50	0.0	-7.56	361.80	4.36	-3.20
CCCC(NC(=O)CC(C1=CC=C(F)C(F)=C1)C1CC1)C1=NN=N[N-]1	REAL000000007526	0	45	-1.0	-47.03	378.23	7.18	-39.84
CCCC(NC(=O)CC(C1=CC=C(F)C(F)=C1)C1CC1)C1=N[N-]N=N1	REAL000000007526	1	45	-1.0	-47.03	378.17	7.18	-39.84
CCCC(NC(=O)CC(C1=CC=C(F)C(F)=C1)C1CC1)C1=NNN=N1	REAL000000007526	1	46	0.0	-13.74	380.80	7.13	-6.61
CCCC(NC(=O)C(C)C1=C2C=CC=CC2=CC=C1)C1=NN=N[N-]1	REAL000000007527	0	44	-1.0	-48.85	356.80	6.95	-41.89
CCCC(NC(=O)C(C)C1=C2C=CC=CC2=CC=C1)C1=N[N-]N=N1	REAL000000007527	1	44	-1.0	-48.84	356.74	6.94	-41.90
CCCC(NC(=O)C(C)C1=C2C=CC=CC2=CC=C1)C1=NNN=N1	REAL000000007527	1	45	0.0	-12.41	360.17	6.96	-5.45
CCCC(NC(=O)C1=CC(F)=C(F)C(OC)=C1)C1=NN=N[N-]1	REAL000000007528	0	36	-1.0	-41.98	316.32	3.10	-38.87
CCCC(NC(=O)C1=CC(F)=C(F)C(OC)=C1)C1=N[N-]N=N1	REAL000000007528	1	36	-1.0	-41.97	316.27	3.09	-38.88
CCCC(NC(=O)C1=CC(F)=C(F)C(OC)=C1)C1=NNN=N1	REAL000000007528	1	37	0.0	-10.99	319.70	3.11	-7.88
CCCC(NC(=O)C1=C2N=CC=CC2=CC(OC)=C1)C1=NN=N[N-]1	REAL000000007529	0	41	-1.0	-56.10	342.84	3.77	-52.34
CCCC(NC(=O)C1=C2N=CC=CC2=CC(OC)=C1)C1=N[N-]N=N1	REAL000000007529	1	41	-1.0	-56.11	342.79	3.76	-52.35
CCCC(NC(=O)C1=C2N=CC=CC2=CC(OC)=C1)C1=NNN=N1	REAL000000007529	1	42	0.0	-13.31	339.02	3.45	-9.86
CCCC(NC(=O)C1=CC(C(F)(F)F)=NC=C1Cl)C1=NN=N[N-]1	REAL000000007530	0	34	-1.0	-41.39	321.96	3.42	-37.97
CCCC(NC(=O)C1=CC(C(F)(F)F)=NC=C1Cl)C1=N[N-]N=N1	REAL000000007530	1	34	-1.0	-41.39	321.90	3.41	-37.98
CCCC(NC(=O)C1=CC(C(F)(F)F)=NC=C1Cl)C1=NNN=N1	REAL000000007530	1	35	0.0	-9.87	325.34	3.43	-6.44
CCCC(NC(=O)C1=NN(CC)N=C1Br)C1=NN=N[N-]1	REAL000000007531	0	34	-1.0	-44.42	316.07	1.11	-43.31
CCCC(NC(=O)C1=NN(CC)N=C1Br)C1=N[N-]N=N1	REAL000000007531	1	34	-1.0	-44.42	316.01	1.11	-43.31
CCCC(NC(=O)C1=NN(CC)N=C1Br)C1=NNN=N1	REAL000000007531	1	35	0.0	-10.61	319.44	1.12	-9.49
CCCC(NC(=O)C1=CC=C(C(C)(C)C)N=C1Cl)C1=NN=N[N-]1	REAL000000007532	0	43	-1.0	-48.50	361.22	4.94	-43.56
CCCC(NC(=O)C1=CC=C(C(C)(C)C)N=C1Cl)C1=N[N-]N=N1	REAL000000007532	1	43	-1.0	-48.49	361.17	4.93	-43.56
CCCC(NC(=O)C1=CC=C(C(C)(C)C)N=C1Cl)C1=NNN=N1	REAL000000007532	1	44	0.0	-14.20	364.60	4.95	-9.25
CCCC(NC(=O)C1CCC2(CC1)NC(=O)N(C)C2=O)C1=NN=N[N-]1	REAL000000007533	0	47	-1.0	-57.24	371.52	1.33	-55.91
CCCC(NC(=O)C1CCC2(CC1)NC(=O)N(C)C2=O)C1=N[N-]N=N1	REAL000000007533	1	47	-1.0	-57.23	371.47	1.32	-55.91
CCCC(NC(=O)C1CCC2(CC1)NC(=O)N(C)C2=O)C1=NNN=N1	REAL000000007533	1	48	0.0	-17.94	374.89	1.34	-16.61
CCCC(NC(=O)C1=CC=CC(C2=NNC=C2)=C1)C1=NN=N[N-]1	REAL000000007534	0	39	-1.0	-57.13	333.24	3.67	-53.46
CCCC(NC(=O)C1=CC=CC(C2=NNC=C2)=C1)C1=N[N-]N=N1	REAL000000007534	1	39	-1.0	-57.14	333.19	3.66	-53.47
CCCC(NC(=O)C1=CC=CC(C2=NNC=C2)=C1)C1=NNN=N1	REAL000000007534	1	40	0.0	-18.95	336.62	3.68	-15.27
CCCC(NC(=O)C1=C2C=C(Br)C=C(C)C2=NN1)C1=NN=N[N-]1	REAL000000007535	0	38	-1.0	-45.37	344.07	3.60	-41.77
CCCC(NC(=O)C1=C2C=C(Br)C=C(C)C2=NN1)C1=N[N-]N=N1	REAL000000007535	1	38	-1.0	-45.36	344.01	3.60	-41.77
CCCC(NC(=O)C1=C2C=C(Br)C=C(C)C2=NN1)C1=NNN=N1	REAL000000007535	1	39	0.0	-12.16	347.44	3.60	-8.56
CCCC(NC(=O)C1CCC2(CCOCC2)O1)C1=NN=N[N-]1	REAL000000007536	0	44	-1.0	-50.00	347.84	2.86	-47.15
CCCC(NC(=O)C1CCC2(CCOCC2)O1)C1=N[N-]N=N1	REAL000000007536	1	44	-1.0	-50.00	347.78	2.85	-47.15
CCCC(NC(=O)C1CCC2(CCOCC2)O1)C1=NNN=N1	REAL000000007536	1	45	0.0	-14.21	350.84	2.83	-11.38
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2C)=C1)C1=NN=N[N-]1	REAL000000007537	0	41	-1.0	-44.78	353.18	5.30	-39.48
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2C)=C1)C1=N[N-]N=N1	REAL000000007537	1	41	-1.0	-44.78	353.12	5.30	-39.48
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2C)=C1)C1=NNN=N1	REAL000000007537	1	42	0.0	-9.47	356.55	5.31	-4.17
CCCC(NC(=O)C1=CC=CC(C(C)(F)F)=N1)C1=NN=N[N-]1	REAL000000007538	0	37	-1.0	-44.10	325.71	3.69	-40.41
CCCC(NC(=O)C1=CC=CC(C(C)(F)F)=N1)C1=N[N-]N=N1	REAL000000007538	1	37	-1.0	-44.11	325.65	3.69	-40.41
CCCC(NC(=O)C1=CC=CC(C(C)(F)F)=N1)C1=NNN=N1	REAL000000007538	1	38	0.0	-9.54	329.08	3.70	-5.84
CCCC(NC(=O)[C@@H]1[C@H]2C[C@H](O)[C@H](C2)N1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007539	0	54	-1.0	-52.65	422.32	1.95	-50.70
CCCC(NC(=O)[C@@H]1[C@H]2C[C@H](O)[C@H](C2)N1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007539	1	54	-1.0	-52.65	422.26	1.94	-50.70
CCCC(NC(=O)[C@@H]1[C@H]2C[C@H](O)[C@H](C2)N1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007539	1	55	0.0	-17.94	425.71	1.96	-15.98
CCCC(NC(=O)C(C)C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL000000007540	0	38	-1.0	-45.83	328.58	5.29	-40.54
CCCC(NC(=O)C(C)C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL000000007540	1	38	-1.0	-45.83	328.53	5.28	-40.55
CCCC(NC(=O)C(C)C1=CC=CC=C1Cl)C1=NNN=N1	REAL000000007540	1	39	0.0	-10.30	331.96	5.30	-5.00
CCCC(NC(=O)C1=CC=CC(CC2=CC=CC=N2)=C1)C1=NN=N[N-]1	REAL000000007541	0	44	-1.0	-49.13	371.52	6.28	-42.85
CCCC(NC(=O)C1=CC=CC(CC2=CC=CC=N2)=C1)C1=N[N-]N=N1	REAL000000007541	1	44	-1.0	-49.14	371.47	6.27	-42.86
CCCC(NC(=O)C1=CC=CC(CC2=CC=CC=N2)=C1)C1=NNN=N1	REAL000000007541	1	45	0.0	-13.26	374.90	6.29	-6.97
CCCC(NC(=O)C1=COC2=C(F)C=C(Cl)C=C12)C1=NN=N[N-]1	REAL000000007542	0	35	-1.0	-46.72	326.18	4.56	-42.16
CCCC(NC(=O)C1=COC2=C(F)C=C(Cl)C=C12)C1=N[N-]N=N1	REAL000000007542	1	35	-1.0	-46.72	326.12	4.56	-42.16
CCCC(NC(=O)C1=COC2=C(F)C=C(Cl)C=C12)C1=NNN=N1	REAL000000007542	1	36	0.0	-13.39	329.56	4.57	-8.82
CCCC(NC(=O)C1CCC2(CC1)NC(=O)NC2=O)C1=NN=N[N-]1	REAL000000007543	0	44	-1.0	-57.26	350.39	-1.01	-58.28
CCCC(NC(=O)C1CCC2(CC1)NC(=O)NC2=O)C1=N[N-]N=N1	REAL000000007543	1	44	-1.0	-57.26	350.33	-1.02	-58.29
CCCC(NC(=O)C1CCC2(CC1)NC(=O)NC2=O)C1=NNN=N1	REAL000000007543	1	45	0.0	-15.55	358.60	-0.66	-16.21
CCCC(NC(=O)C1=C(I)C=CS1)C1=NN=N[N-]1	REAL000000007544	0	29	-1.0	-44.57	289.87	3.73	-40.84
CCCC(NC(=O)C1=C(I)C=CS1)C1=N[N-]N=N1	REAL000000007544	1	29	-1.0	-44.57	289.81	3.72	-40.85
CCCC(NC(=O)C1=C(I)C=CS1)C1=NNN=N1	REAL000000007544	1	30	0.0	-9.82	293.25	3.72	-6.10
CCCC(NC(=O)C1=NN(CCC)C=C1Cl)C1=NN=N[N-]1	REAL000000007545	0	38	-1.0	-49.61	337.89	3.59	-46.02
CCCC(NC(=O)C1=NN(CCC)C=C1Cl)C1=N[N-]N=N1	REAL000000007545	1	38	-1.0	-49.61	337.83	3.58	-46.03
CCCC(NC(=O)C1=NN(CCC)C=C1Cl)C1=NNN=N1	REAL000000007545	1	39	0.0	-10.25	334.09	3.26	-6.99
CCCC(NC(=O)C1=CC(C)=C(C)N=C1Cl)C1=NN=N[N-]1	REAL000000007546	0	37	-1.0	-49.00	320.64	3.47	-45.52
CCCC(NC(=O)C1=CC(C)=C(C)N=C1Cl)C1=N[N-]N=N1	REAL000000007546	1	37	-1.0	-48.99	320.58	3.47	-45.52
CCCC(NC(=O)C1=CC(C)=C(C)N=C1Cl)C1=NNN=N1	REAL000000007546	1	38	0.0	-14.34	324.01	3.48	-10.86
CCCC(NC(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL000000007547	0	41	-1.0	-48.40	359.21	5.11	-43.30
CCCC(NC(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL000000007547	1	41	-1.0	-48.39	359.15	5.11	-43.29
CCCC(NC(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1)C1=NNN=N1	REAL000000007547	1	42	0.0	-16.94	362.58	5.11	-11.82
CCCC(NC(=O)C1=CC=C2NN=C(C(=O)OC)C2=C1)C1=NN=N[N-]1	REAL000000007548	0	41	-1.0	-55.83	356.05	2.99	-52.84
CCCC(NC(=O)C1=CC=C2NN=C(C(=O)OC)C2=C1)C1=N[N-]N=N1	REAL000000007548	1	41	-1.0	-55.83	355.99	2.99	-52.84
CCCC(NC(=O)C1=CC=C2NN=C(C(=O)OC)C2=C1)C1=NNN=N1	REAL000000007548	1	42	0.0	-15.80	352.23	2.68	-13.12
CCCC(NC(=O)C1=C2NCCC(C(C)(C)C)N2N=C1)C1=NN=N[N-]1	REAL000000007549	0	50	-1.0	-48.55	383.89	4.00	-44.55
CCCC(NC(=O)C1=C2NCCC(C(C)(C)C)N2N=C1)C1=N[N-]N=N1	REAL000000007549	1	50	-1.0	-48.55	383.83	4.00	-44.55
CCCC(NC(=O)C1=C2NCCC(C(C)(C)C)N2N=C1)C1=NNN=N1	REAL000000007549	1	51	0.0	-12.52	387.25	4.01	-8.52
CCCC(NC(=O)C1=C(NC)C2=NC=CN=C2S1)C1=NN=N[N-]1	REAL000000007550	0	38	-1.0	-49.86	338.93	0.24	-49.62
CCCC(NC(=O)C1=C(NC)C2=NC=CN=C2S1)C1=N[N-]N=N1	REAL000000007550	1	38	-1.0	-49.85	338.87	0.24	-49.61
CCCC(NC(=O)C1=C(NC)C2=NC=CN=C2S1)C1=NNN=N1	REAL000000007550	1	39	0.0	-11.22	332.10	0.10	-11.12
CCCC(NC(=O)C1=C(N)C2=C(C)C(C)=NN=C2S1)C1=NN=N[N-]1	REAL000000007551	0	41	-1.0	-47.46	345.83	1.59	-45.87
CCCC(NC(=O)C1=C(N)C2=C(C)C(C)=NN=C2S1)C1=N[N-]N=N1	REAL000000007551	1	41	-1.0	-47.45	345.77	1.59	-45.87
CCCC(NC(=O)C1=C(N)C2=C(C)C(C)=NN=C2S1)C1=NNN=N1	REAL000000007551	1	42	0.0	-11.96	342.01	1.28	-10.68
CCCC(NC(=O)C1=CC(C(N)=O)=CC=C1F)C1=NN=N[N-]1	REAL000000007552	0	36	-1.0	-55.47	313.37	0.53	-54.95
CCCC(NC(=O)C1=CC(C(N)=O)=CC=C1F)C1=N[N-]N=N1	REAL000000007552	1	36	-1.0	-55.47	313.31	0.52	-54.95
CCCC(NC(=O)C1=CC(C(N)=O)=CC=C1F)C1=NNN=N1	REAL000000007552	1	37	0.0	-17.36	316.75	0.53	-16.83
CCCC(NC(=O)C1(N=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000007553	0	48	-1.0	-43.33	395.04	0.13	-43.20
CCCC(NC(=O)C1(N=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000007553	1	48	-1.0	-43.34	395.01	0.12	-43.22
CCCC(NC(=O)C1(N=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007553	1	49	0.0	-10.23	392.09	0.14	-10.09
CCCC(NC(=O)C12CCC(N=[N+]=[N-])(CC1)C2)C1=NN=N[N-]1	REAL000000007554	0	41	-1.0	-45.07	336.38	0.76	-44.31
CCCC(NC(=O)C12CCC(N=[N+]=[N-])(CC1)C2)C1=N[N-]N=N1	REAL000000007554	1	41	-1.0	-45.07	336.32	0.76	-44.31
CCCC(NC(=O)C12CCC(N=[N+]=[N-])(CC1)C2)C1=NNN=N1	REAL000000007554	1	42	0.0	-7.85	332.57	0.44	-7.41
CCCC(NC(=O)C1(N=[N+]=[N-])CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000007555	0	51	-1.0	-44.12	405.52	0.85	-43.27
CCCC(NC(=O)C1(N=[N+]=[N-])CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000007555	1	51	-1.0	-44.11	405.46	0.84	-43.27
CCCC(NC(=O)C1(N=[N+]=[N-])CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007555	1	52	0.0	-9.71	410.95	1.10	-8.61
CCCC(NC(=O)C1=NOC(C2=CC=C3OCOC3=C2)=C1)C1=NN=N[N-]1	REAL000000007556	0	41	-1.0	-45.52	359.03	3.33	-42.19
CCCC(NC(=O)C1=NOC(C2=CC=C3OCOC3=C2)=C1)C1=N[N-]N=N1	REAL000000007556	1	41	-1.0	-45.53	358.97	3.32	-42.21
CCCC(NC(=O)C1=NOC(C2=CC=C3OCOC3=C2)=C1)C1=NNN=N1	REAL000000007556	1	42	0.0	-11.82	362.41	3.34	-8.47
CCCC(NC(=O)C(F)(F)C1=CSC(C)=C1)C1=NN=N[N-]1	REAL000000007557	0	35	-1.0	-42.35	321.40	4.21	-38.14
CCCC(NC(=O)C(F)(F)C1=CSC(C)=C1)C1=N[N-]N=N1	REAL000000007557	1	35	-1.0	-42.35	321.34	4.21	-38.14
CCCC(NC(=O)C(F)(F)C1=CSC(C)=C1)C1=NNN=N1	REAL000000007557	1	36	0.0	-8.61	324.78	4.22	-4.39
CCCC(NC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007558	0	51	-1.0	-51.55	418.15	0.61	-50.94
CCCC(NC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007558	1	51	-1.0	-51.55	418.09	0.61	-50.94
CCCC(NC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007558	1	52	0.0	-18.06	421.51	0.62	-17.44
CCCC(NC(=O)[C@@H]1C[C@@H](N=[N+]=[N-])CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007559	0	51	-1.0	-48.01	417.71	0.62	-47.39
CCCC(NC(=O)[C@@H]1C[C@@H](N=[N+]=[N-])CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007559	1	51	-1.0	-48.01	417.65	0.61	-47.40
CCCC(NC(=O)[C@@H]1C[C@@H](N=[N+]=[N-])CN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007559	1	52	0.0	-19.02	421.14	0.62	-18.40
CCCC(NC(=O)C1=CC(C)=NN1CC(F)(F)F)C1=NN=N[N-]1	REAL000000007560	0	38	-1.0	-45.99	337.47	3.28	-42.71
CCCC(NC(=O)C1=CC(C)=NN1CC(F)(F)F)C1=N[N-]N=N1	REAL000000007560	1	38	-1.0	-45.99	337.41	3.28	-42.71
CCCC(NC(=O)C1=CC(C)=NN1CC(F)(F)F)C1=NNN=N1	REAL000000007560	1	39	0.0	-11.94	339.98	3.28	-8.66
CCCC(NC(=O)C1=CC=CC(CN=[N+]=[N-])=C1)C1=NN=N[N-]1	REAL000000007561	0	37	-1.0	-47.77	325.87	0.94	-46.83
CCCC(NC(=O)C1=CC=CC(CN=[N+]=[N-])=C1)C1=N[N-]N=N1	REAL000000007561	1	37	-1.0	-47.77	325.82	0.93	-46.84
CCCC(NC(=O)C1=CC=CC(CN=[N+]=[N-])=C1)C1=NNN=N1	REAL000000007561	1	38	0.0	-11.68	329.27	0.94	-10.75
CCCC(NC(=O)CCCCCCCCCN=[N+]=[N-])C1=NN=N[N-]1	REAL000000007562	0	51	-1.0	-46.49	419.57	3.47	-43.02
CCCC(NC(=O)CCCCCCCCCN=[N+]=[N-])C1=N[N-]N=N1	REAL000000007562	1	51	-1.0	-46.48	419.51	3.46	-43.02
CCCC(NC(=O)CCCCCCCCCN=[N+]=[N-])C1=NNN=N1	REAL000000007562	1	52	0.0	-11.63	423.01	3.47	-8.16
CCCC(NC(=O)C1=CC(Cl)=NC(Cl)=C1C)C1=NN=N[N-]1	REAL000000007563	0	34	-1.0	-39.55	316.65	3.33	-36.22
CCCC(NC(=O)C1=CC(Cl)=NC(Cl)=C1C)C1=N[N-]N=N1	REAL000000007563	1	34	-1.0	-39.54	316.59	3.32	-36.22
CCCC(NC(=O)C1=CC(Cl)=NC(Cl)=C1C)C1=NNN=N1	REAL000000007563	1	35	0.0	-9.09	320.03	3.34	-5.75
CCCC(NC(=O)C1=CC=C(C)C=C1N=[N+]=[N-])C1=NN=N[N-]1	REAL000000007564	0	37	-1.0	-48.94	321.87	2.29	-46.65
CCCC(NC(=O)C1=CC=C(C)C=C1N=[N+]=[N-])C1=N[N-]N=N1	REAL000000007564	1	37	-1.0	-48.95	321.81	2.29	-46.66
CCCC(NC(=O)C1=CC=C(C)C=C1N=[N+]=[N-])C1=NNN=N1	REAL000000007564	1	38	0.0	-12.92	325.28	2.31	-10.62
CCCC(NC(=O)C1=CC=C(CN2CCOCC2)C=C1)C1=NN=N[N-]1	REAL000000007565	0	48	-1.0	-47.33	383.19	2.74	-44.59
CCCC(NC(=O)C1=CC=C(CN2CCOCC2)C=C1)C1=N[N-]N=N1	REAL000000007565	1	48	-1.0	-47.33	383.13	2.73	-44.60
CCCC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL000000007566	0	54	0.0	-58.65	414.26	8.02	-50.64
CCCC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL000000007566	1	54	0.0	-58.64	414.20	8.02	-50.63
CCCC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000007566	1	55	1.0	-38.97	410.44	7.70	-31.27
CCCC(NC(=O)C1=CC=C(CN2CCOC(C)C2)C=C1)C1=NN=N[N-]1	REAL000000007567	0	51	-1.0	-46.98	403.48	3.31	-43.68
CCCC(NC(=O)C1=CC=C(CN2CCOC(C)C2)C=C1)C1=N[N-]N=N1	REAL000000007567	1	51	-1.0	-46.98	403.43	3.30	-43.68
CCCC(NC(=O)C1CCN(C(=O)NCC)CC1)C1=NN=N[N-]1	REAL000000007568	0	47	-1.0	-53.03	371.07	2.50	-50.53
CCCC(NC(=O)C1CCN(C(=O)NCC)CC1)C1=N[N-]N=N1	REAL000000007568	1	47	-1.0	-53.02	371.01	2.49	-50.54
CCCC(NC(=O)C1CCN(C(=O)NCC)CC1)C1=NNN=N1	REAL000000007568	1	48	0.0	-18.87	374.44	2.50	-16.37
CCCC(NC(=O)C[C@H](C)C1=CC=C(C)C(OC)=C1)C1=NN=N[N-]1	REAL000000007569	0	48	-1.0	-45.10	383.39	5.62	-39.48
CCCC(NC(=O)C[C@H](C)C1=CC=C(C)C(OC)=C1)C1=N[N-]N=N1	REAL000000007569	1	48	-1.0	-45.10	383.33	5.61	-39.48
CCCC(NC(=O)C[C@H](C)C1=CC=C(C)C(OC)=C1)C1=NNN=N1	REAL000000007569	1	49	0.0	-8.50	379.57	5.29	-3.20
CCCC(NC(=O)C=CC1=CC=C2CCOCC2=C1)C1=NN=N[N-]1	REAL000000007570	0	44	-1.0	-47.64	362.62	4.93	-42.71
CCCC(NC(=O)C=CC1=CC=C2CCOCC2=C1)C1=N[N-]N=N1	REAL000000007570	1	44	-1.0	-47.64	362.56	4.93	-42.70
CCCC(NC(=O)C=CC1=CC=C2CCOCC2=C1)C1=NNN=N1	REAL000000007570	1	45	0.0	-12.26	365.99	4.94	-7.31
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=NN1CC(C)C)C1=NN=N[N-]1	REAL000000007571	0	48	-1.0	-45.27	392.05	5.77	-39.51
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=NN1CC(C)C)C1=N[N-]N=N1	REAL000000007571	1	48	-1.0	-45.28	392.00	5.77	-39.51
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=NN1CC(C)C)C1=NNN=N1	REAL000000007571	1	49	0.0	-9.73	382.27	4.92	-4.81
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CN(CC(C)C)N=C1)C1=NN=N[N-]1	REAL000000007572	0	48	-1.0	-46.71	389.73	5.94	-40.76
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CN(CC(C)C)N=C1)C1=N[N-]N=N1	REAL000000007572	1	48	-1.0	-46.71	389.67	5.94	-40.76
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CN(CC(C)C)N=C1)C1=NNN=N1	REAL000000007572	1	49	0.0	-12.14	397.59	5.92	-6.22
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL000000007573	0	46	-1.0	-48.32	387.35	6.91	-41.41
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL000000007573	1	46	-1.0	-48.32	387.30	6.90	-41.42
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000007573	1	47	0.0	-11.53	383.57	6.59	-4.94
CCCC(NC(=O)C1CC2CCCCCCC21)C1=NN=N[N-]1	REAL000000007574	0	48	-1.0	-45.66	349.46	5.84	-39.82
CCCC(NC(=O)C1CC2CCCCCCC21)C1=N[N-]N=N1	REAL000000007574	1	48	-1.0	-45.65	349.40	5.83	-39.82
CCCC(NC(=O)C1CC2CCCCCCC21)C1=NNN=N1	REAL000000007574	1	49	0.0	-9.31	353.79	5.86	-3.45
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)C1(C)C)C1=NN=N[N-]1	REAL000000007575	0	55	-1.0	-52.10	420.24	4.77	-47.33
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)C1(C)C)C1=N[N-]N=N1	REAL000000007575	1	55	-1.0	-52.10	420.17	4.78	-47.32
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)C1(C)C)C1=NNN=N1	REAL000000007575	1	56	0.0	-12.83	423.65	4.79	-8.03
CCCC(NC(=O)C1=NN(C2=CC=C(OC(F)(F)F)C=C2)N=N1)C1=NN=N[N-]1	REAL000000007576	0	41	-1.0	-44.53	373.49	2.67	-41.85
CCCC(NC(=O)C1=NN(C2=CC=C(OC(F)(F)F)C=C2)N=N1)C1=N[N-]N=N1	REAL000000007576	1	41	-1.0	-44.52	373.44	2.66	-41.86
CCCC(NC(=O)C1=NN(C2=CC=C(OC(F)(F)F)C=C2)N=N1)C1=NNN=N1	REAL000000007576	1	42	0.0	-8.64	369.70	2.35	-6.30
CCCC(NC(=O)C1=NN2CC3(CC3)CC2=C1)C1=NN=N[N-]1	REAL000000007577	0	40	-1.0	-50.18	335.72	3.61	-46.57
CCCC(NC(=O)C1=NN2CC3(CC3)CC2=C1)C1=N[N-]N=N1	REAL000000007577	1	40	-1.0	-50.19	335.66	3.61	-46.58
CCCC(NC(=O)C1=NN2CC3(CC3)CC2=C1)C1=NNN=N1	REAL000000007577	1	41	0.0	-12.39	339.10	3.62	-8.77
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)C(C)(C)CO1)C1=NN=N[N-]1	REAL000000007578	0	56	-1.0	-47.14	429.21	4.50	-42.64
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)C(C)(C)CO1)C1=N[N-]N=N1	REAL000000007578	1	56	-1.0	-47.13	429.15	4.49	-42.65
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)C(C)(C)CO1)C1=NNN=N1	REAL000000007578	1	57	0.0	-9.88	425.42	4.08	-5.81
CCCC(NC(=O)C1CCC2(CC2C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000007579	0	54	-1.0	-46.54	424.12	7.30	-39.24
CCCC(NC(=O)C1CCC2(CC2C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000007579	1	54	-1.0	-46.53	424.07	7.29	-39.24
CCCC(NC(=O)C1CCC2(CC2C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007579	1	55	0.0	-14.92	426.89	7.32	-7.60
CCCC(NC(=O)CCC(=O)C1=CC=C(Br)S1)C1=NN=N[N-]1	REAL000000007580	0	37	-1.0	-43.48	353.12	4.78	-38.70
CCCC(NC(=O)CCC(=O)C1=CC=C(Br)S1)C1=N[N-]N=N1	REAL000000007580	1	37	-1.0	-43.48	353.06	4.77	-38.71
CCCC(NC(=O)CCC(=O)C1=CC=C(Br)S1)C1=NNN=N1	REAL000000007580	1	38	0.0	-9.89	356.49	4.79	-5.10
CCCC(NC(=O)CC1=CC=C2OC=NC2=C1)C1=NN=N[N-]1	REAL000000007581	0	37	-1.0	-54.19	320.71	1.23	-52.96
CCCC(NC(=O)CC1=CC=C2OC=NC2=C1)C1=N[N-]N=N1	REAL000000007581	1	37	-1.0	-54.19	320.65	1.23	-52.96
CCCC(NC(=O)CC1=CC=C2OC=NC2=C1)C1=NNN=N1	REAL000000007581	1	38	0.0	-17.10	324.09	1.24	-15.86
CCCC(NC(=O)C1=CN2N=CC(C#N)=C2N=C1C)C1=NN=N[N-]1	REAL000000007582	0	38	-1.0	-44.63	334.37	3.68	-40.95
CCCC(NC(=O)C1=CN2N=CC(C#N)=C2N=C1C)C1=N[N-]N=N1	REAL000000007582	1	38	-1.0	-44.58	334.27	3.68	-40.90
CCCC(NC(=O)C1=CN2N=CC(C#N)=C2N=C1C)C1=NNN=N1	REAL000000007582	1	39	0.0	-16.11	337.91	3.69	-12.42
CCCC(NC(=O)C1=CC=NC(CC(C)C)=N1)C1=NN=N[N-]1	REAL000000007583	0	42	-1.0	-44.16	349.19	3.68	-40.49
CCCC(NC(=O)C1=CC=NC(CC(C)C)=N1)C1=N[N-]N=N1	REAL000000007583	1	42	-1.0	-44.17	349.14	3.67	-40.49
CCCC(NC(=O)C1=CC=NC(CC(C)C)=N1)C1=NNN=N1	REAL000000007583	1	43	0.0	-7.38	345.37	3.37	-4.01
CCCC(NC(=O)COC1=NN(C)C=C1Br)C1=NN=N[N-]1	REAL000000007584	0	36	-1.0	-52.72	335.34	1.27	-51.45
CCCC(NC(=O)COC1=NN(C)C=C1Br)C1=N[N-]N=N1	REAL000000007584	1	36	-1.0	-52.72	335.29	1.27	-51.46
CCCC(NC(=O)COC1=NN(C)C=C1Br)C1=NNN=N1	REAL000000007584	1	37	0.0	-16.69	338.72	1.28	-15.41
CCCC(NC(=O)C1=NN2C=CC=NC2=C1Cl)C1=NN=N[N-]1	REAL000000007585	0	34	-1.0	-55.26	315.10	2.94	-52.32
CCCC(NC(=O)C1=NN2C=CC=NC2=C1Cl)C1=N[N-]N=N1	REAL000000007585	1	34	-1.0	-55.27	315.05	2.95	-52.32
CCCC(NC(=O)C1=NN2C=CC=NC2=C1Cl)C1=NNN=N1	REAL000000007585	1	35	0.0	-15.72	311.29	2.63	-13.09
CCCC(NC(=O)C(CCC1=CNN=C1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007586	0	55	-1.0	-46.76	437.83	2.13	-44.63
CCCC(NC(=O)C(CCC1=CNN=C1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007586	1	55	-1.0	-46.75	437.77	2.13	-44.62
CCCC(NC(=O)C(CCC1=CNN=C1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007586	1	56	0.0	-12.89	441.21	2.14	-10.75
CCCC(NC(=O)[C@H]1C[C@](F)(CNC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000007587	0	52	-1.0	-47.77	417.70	3.09	-44.68
CCCC(NC(=O)[C@H]1C[C@](F)(CNC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000007587	1	52	-1.0	-47.77	417.64	3.09	-44.68
CCCC(NC(=O)[C@H]1C[C@](F)(CNC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007587	1	53	0.0	-12.77	409.98	2.72	-10.05
CCCC(NC(=O)C(CC1OCCO1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL000000007588	0	54	-1.0	-46.28	422.41	1.11	-45.18
CCCC(NC(=O)C(CC1OCCO1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL000000007588	1	54	-1.0	-46.27	422.35	1.11	-45.17
CCCC(NC(=O)C(CC1OCCO1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007588	1	55	0.0	-12.32	425.79	1.11	-11.20
CCCC(NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(C)C)C1=NN=N[N-]1	REAL000000007589	0	58	-1.0	-44.82	441.99	5.36	-39.46
CCCC(NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(C)C)C1=N[N-]N=N1	REAL000000007589	1	58	-1.0	-44.82	441.94	5.35	-39.47
CCCC(NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(C)C)C1=NNN=N1	REAL000000007589	1	59	0.0	-13.38	445.57	5.37	-8.01
CCCC(NC(=O)[C@H]1C[C@@](F)(CNC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000007590	0	52	-1.0	-47.32	419.00	3.13	-44.19
CCCC(NC(=O)[C@H]1C[C@@](F)(CNC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000007590	1	52	-1.0	-47.32	418.94	3.12	-44.19
CCCC(NC(=O)[C@H]1C[C@@](F)(CNC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007590	1	53	0.0	-12.95	421.95	3.15	-9.81
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)C2(CCC2)CO1)C1=NN=N[N-]1	REAL000000007591	0	57	-1.0	-46.31	434.74	4.76	-41.55
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)C2(CCC2)CO1)C1=N[N-]N=N1	REAL000000007591	1	57	-1.0	-46.31	434.68	4.76	-41.55
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)C2(CCC2)CO1)C1=NNN=N1	REAL000000007591	1	58	0.0	-12.70	438.11	4.77	-7.94
CCCC(NC(=O)[C@@]12C[C@@H]1[C@H](NC(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL000000007592	0	50	-1.0	-50.55	403.16	3.11	-47.44
CCCC(NC(=O)[C@@]12C[C@@H]1[C@H](NC(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL000000007592	1	50	-1.0	-50.55	403.10	3.11	-47.44
CCCC(NC(=O)[C@@]12C[C@@H]1[C@H](NC(=O)OC(C)(C)C)C2)C1=NNN=N1	REAL000000007592	1	51	0.0	-13.74	406.54	3.12	-10.62
CCCC(NC(=O)[C@@]1(C(C)C)C[C@H]1C(=O)OC)C1=NN=N[N-]1	REAL000000007593	0	44	-1.0	-53.58	351.96	4.57	-49.01
CCCC(NC(=O)[C@@]1(C(C)C)C[C@H]1C(=O)OC)C1=N[N-]N=N1	REAL000000007593	1	44	-1.0	-53.59	351.92	4.57	-49.02
CCCC(NC(=O)[C@@]1(C(C)C)C[C@H]1C(=O)OC)C1=NNN=N1	REAL000000007593	1	45	0.0	-14.12	355.54	5.07	-9.05
CCCC(NC(=O)C1=C2C=CC=CN2C(Br)=N1)C1=NN=N[N-]1	REAL000000007594	0	35	-1.0	-51.94	324.16	4.70	-47.24
CCCC(NC(=O)C1=C2C=CC=CN2C(Br)=N1)C1=N[N-]N=N1	REAL000000007594	1	35	-1.0	-51.94	324.10	4.70	-47.24
CCCC(NC(=O)C1=C2C=CC=CN2C(Br)=N1)C1=NNN=N1	REAL000000007594	1	36	0.0	-13.34	327.53	4.71	-8.63
CCCC(NC(=O)C1=CC(C2CN(C(=O)OC(C)(C)C)C2)=NO1)C1=NN=N[N-]1	REAL000000007595	0	52	-1.0	-45.59	427.92	3.84	-41.76
CCCC(NC(=O)C1=CC(C2CN(C(=O)OC(C)(C)C)C2)=NO1)C1=N[N-]N=N1	REAL000000007595	1	52	-1.0	-45.58	427.86	3.84	-41.74
CCCC(NC(=O)C1=CC(C2CN(C(=O)OC(C)(C)C)C2)=NO1)C1=NNN=N1	REAL000000007595	1	53	0.0	-13.69	431.25	3.84	-9.84
CCCC(NC(=O)CC1=CC=C(Br)C(Cl)=C1F)C1=NN=N[N-]1	REAL000000007596	0	35	-1.0	-51.42	339.98	5.42	-46.00
CCCC(NC(=O)CC1=CC=C(Br)C(Cl)=C1F)C1=N[N-]N=N1	REAL000000007596	1	35	-1.0	-51.42	339.92	5.41	-46.01
CCCC(NC(=O)CC1=CC=C(Br)C(Cl)=C1F)C1=NNN=N1	REAL000000007596	1	36	0.0	-13.08	343.36	5.43	-7.65
CCCC(NC(=O)C1=CC=CN(CCOC)C1=O)C1=NN=N[N-]1	REAL000000007597	0	42	-1.0	-62.63	349.74	3.30	-59.34
CCCC(NC(=O)C1=CC=CC2=C1NC(=O)CC2)C1=NN=N[N-]1	REAL000000007598	0	40	-1.0	-55.65	329.23	3.25	-52.39
CCCC(NC(=O)C1=CC=CC2=C1NC(=O)CC2)C1=N[N-]N=N1	REAL000000007598	1	40	-1.0	-55.65	329.17	3.25	-52.40
CCCC(NC(=O)C1=CC=CC2=C1NC(=O)CC2)C1=NNN=N1	REAL000000007598	1	41	0.0	-14.09	325.43	2.93	-11.16
CCCC(NC(=O)C1=NN(CC(F)(F)F)C=C1Cl)C1=NN=N[N-]1	REAL000000007599	0	35	-1.0	-51.91	334.36	3.31	-48.61
CCCC(NC(=O)C1=NN(CC(F)(F)F)C=C1Cl)C1=N[N-]N=N1	REAL000000007599	1	35	-1.0	-51.92	334.30	3.31	-48.62
CCCC(NC(=O)C1=NN(CC(F)(F)F)C=C1Cl)C1=NNN=N1	REAL000000007599	1	36	0.0	-13.69	330.56	2.99	-10.70
CCCC(NC(=O)C(F)(F)C1=CC(F)=CC=C1C)C1=NN=N[N-]1	REAL000000007600	0	38	-1.0	-39.50	328.93	4.87	-34.63
CCCC(NC(=O)C(F)(F)C1=CC(F)=CC=C1C)C1=N[N-]N=N1	REAL000000007600	1	38	-1.0	-39.50	328.87	4.86	-34.64
CCCC(NC(=O)C(F)(F)C1=CC(F)=CC=C1C)C1=NNN=N1	REAL000000007600	1	39	0.0	-8.47	332.29	4.88	-3.59
CCCC(NC(=O)C1=CC=CN(C2CCC2)C1=O)C1=NN=N[N-]1	REAL000000007601	0	42	-1.0	-57.89	340.49	4.62	-53.26
CCCC(NC(=O)C1=NN(CC(F)F)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL000000007602	0	37	-1.0	-59.57	336.98	4.23	-55.35
CCCC(NC(=O)C1=NN(CC(F)F)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL000000007602	1	37	-1.0	-59.58	336.92	4.23	-55.35
CCCC(NC(=O)C1=NN(CC(F)F)C=C1[N+](=O)[O-])C1=NNN=N1	REAL000000007602	1	38	0.0	-16.33	334.24	3.75	-12.58
CCCC(NC(=O)C(F)(F)C1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL000000007603	0	35	-1.0	-43.34	319.58	4.49	-38.84
CCCC(NC(=O)C(F)(F)C1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL000000007604	0	35	-1.0	-50.29	319.48	4.49	-45.80
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1CC)C1=NN=N[N-]1	REAL000000007605	0	41	-1.0	-44.19	340.01	5.38	-38.81
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1CC)C1=N[N-]N=N1	REAL000000007605	1	41	-1.0	-44.20	339.95	5.38	-38.82
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1CC)C1=NNN=N1	REAL000000007605	1	42	0.0	-9.56	343.39	5.39	-4.17
CCCC(NC(=O)CC(C1=CC=CC=C1)N1C=NN=N1)C1=NN=N[N-]1	REAL000000007606	0	43	-1.0	-54.97	358.49	4.70	-50.26
CCCC(NC(=O)CC(C1=CC=CC=C1)N1C=NN=N1)C1=N[N-]N=N1	REAL000000007606	1	43	-1.0	-54.96	358.43	4.70	-50.26
CCCC(NC(=O)CC(C1=CC=CC=C1)N1C=NN=N1)C1=NNN=N1	REAL000000007606	1	44	0.0	-19.59	361.90	4.72	-14.88
CCCC(NC(=O)C1=COC2=C1N(C)C(=O)CCC2)C1=NN=N[N-]1	REAL000000007607	0	43	-1.0	-51.67	348.33	3.22	-48.46
CCCC(NC(=O)C1=COC2=C1N(C)C(=O)CCC2)C1=N[N-]N=N1	REAL000000007607	1	43	-1.0	-51.67	348.28	3.21	-48.46
CCCC(NC(=O)C1=COC2=C1N(C)C(=O)CCC2)C1=NNN=N1	REAL000000007607	1	44	0.0	-17.86	351.72	3.23	-14.63
CCCC(NC(=O)C1CC(=O)N(C(C)C2=CC=C(F)C=C2)C1)C1=NN=N[N-]1	REAL000000007608	0	49	-1.0	-45.60	401.00	6.19	-39.41
CCCC(NC(=O)C1CC(=O)N(C(C)C2=CC=C(F)C=C2)C1)C1=N[N-]N=N1	REAL000000007608	1	49	-1.0	-45.60	400.94	6.19	-39.40
CCCC(NC(=O)C1CC(=O)N(C(C)C2=CC=C(F)C=C2)C1)C1=NNN=N1	REAL000000007608	1	50	0.0	-15.21	404.31	6.18	-9.03
CCCC(NC(=O)C1=CC2=CC=C(Cl)N=C2S1)C1=NN=N[N-]1	REAL000000007609	0	34	-1.0	-45.02	325.10	3.59	-41.43
CCCC(NC(=O)C1=CC2=CC=C(Cl)N=C2S1)C1=N[N-]N=N1	REAL000000007609	1	34	-1.0	-45.02	325.04	3.59	-41.43
CCCC(NC(=O)C1=CC2=CC=C(Cl)N=C2S1)C1=NNN=N1	REAL000000007609	1	35	0.0	-11.28	328.48	3.60	-7.68
CCCC(NC(=O)CC1=CNC2=C(OC)C=CC=C12)C1=NN=N[N-]1	REAL000000007610	0	43	-1.0	-49.91	360.41	3.69	-46.22
CCCC(NC(=O)CC1=CNC2=C(OC)C=CC=C12)C1=N[N-]N=N1	REAL000000007610	1	43	-1.0	-49.91	360.35	3.68	-46.23
CCCC(NC(=O)CC1=CNC2=C(OC)C=CC=C12)C1=NNN=N1	REAL000000007610	1	44	0.0	-12.64	356.60	3.36	-9.28
CCCC(NC(=O)C1=CC2=C(Cl)C=C(F)C=C2N1)C1=NN=N[N-]1	REAL000000007611	0	36	-1.0	-43.44	331.05	4.14	-39.29
CCCC(NC(=O)C1=CC2=C(Cl)C=C(F)C=C2N1)C1=N[N-]N=N1	REAL000000007611	1	36	-1.0	-43.44	330.99	4.13	-39.31
CCCC(NC(=O)C1=CC2=C(Cl)C=C(F)C=C2N1)C1=NNN=N1	REAL000000007611	1	37	0.0	-10.94	334.43	4.15	-6.79
CCCC(NC(=O)CC1=CC=C(C(=O)OC)C=C1C)C1=NN=N[N-]1	REAL000000007612	0	44	-1.0	-48.12	370.49	5.45	-42.67
CCCC(NC(=O)CC1=CC=C(C(=O)OC)C=C1C)C1=N[N-]N=N1	REAL000000007612	1	44	-1.0	-48.12	370.43	5.45	-42.67
CCCC(NC(=O)CC1=CC=C(C(=O)OC)C=C1C)C1=NNN=N1	REAL000000007612	1	45	0.0	-15.46	373.87	5.46	-10.00
CCCC(NC(=O)C1=CC2=C(COCC2)N=C1Cl)C1=NN=N[N-]1	REAL000000007613	0	39	-1.0	-47.40	335.98	2.37	-45.03
CCCC(NC(=O)C1=CC2=C(COCC2)N=C1Cl)C1=N[N-]N=N1	REAL000000007613	1	39	-1.0	-47.39	335.93	2.37	-45.02
CCCC(NC(=O)C1=CC2=C(COCC2)N=C1Cl)C1=NNN=N1	REAL000000007613	1	40	0.0	-14.40	339.36	2.38	-12.02
CCCC(NC(=O)C1=CN(C)C(C)=C(Br)C1=O)C1=NN=N[N-]1	REAL000000007614	0	38	-1.0	-57.22	333.34	4.11	-53.11
CCCC(NC(=O)C1=CN(C)C(C)=C(Br)C1=O)C1=N[N-]N=N1	REAL000000007614	1	38	-1.0	-57.23	333.28	4.10	-53.13
CCCC(NC(=O)C1=CN(C)C(C)=C(Br)C1=O)C1=NNN=N1	REAL000000007614	1	39	0.0	-18.64	336.86	4.12	-14.52
CCCC(NC(=O)C1CC2=CC(C(F)(F)F)=CC=C2C(=O)O1)C1=NN=N[N-]1	REAL000000007615	0	42	-1.0	-48.32	372.11	6.33	-41.99
CCCC(NC(=O)C1CC2=CC(C(F)(F)F)=CC=C2C(=O)O1)C1=N[N-]N=N1	REAL000000007615	1	42	-1.0	-48.31	372.05	6.33	-41.98
CCCC(NC(=O)C1CC2=CC(C(F)(F)F)=CC=C2C(=O)O1)C1=NNN=N1	REAL000000007615	1	43	0.0	-19.02	375.49	6.34	-12.68
CCCC(NC(=O)C1=CC(N=S(C)(C)=O)=CC=N1)C1=NN=N[N-]1	REAL000000007616	0	41	-1.0	-63.81	352.42	0.25	-63.56
CCCC(NC(=O)C1=CC(N=S(C)(C)=O)=CC=N1)C1=N[N-]N=N1	REAL000000007616	1	41	-1.0	-63.81	352.36	0.24	-63.57
CCCC(NC(=O)C1=CC(N=S(C)(C)=O)=CC=N1)C1=NNN=N1	REAL000000007616	1	42	0.0	-24.92	355.80	0.26	-24.67
CCCC(NC(=O)C1=CC2=C(Br)C=CC(F)=C2N1)C1=NN=N[N-]1	REAL000000007617	0	36	-1.0	-44.36	335.53	4.25	-40.11
CCCC(NC(=O)C1=CC2=C(Br)C=CC(F)=C2N1)C1=N[N-]N=N1	REAL000000007617	1	36	-1.0	-44.36	335.47	4.24	-40.12
CCCC(NC(=O)C1=CC2=C(Br)C=CC(F)=C2N1)C1=NNN=N1	REAL000000007617	1	37	0.0	-10.50	338.90	4.25	-6.25
CCCC(NC(=O)C1=C(C)C2=CC(C3=CC=CC=C3)=CC=C2N1)C1=NN=N[N-]1	REAL000000007618	0	49	-1.0	-46.87	399.85	7.70	-39.17
CCCC(NC(=O)C1=C(C)C2=CC(C3=CC=CC=C3)=CC=C2N1)C1=N[N-]N=N1	REAL000000007618	1	49	-1.0	-46.87	399.79	7.69	-39.18
CCCC(NC(=O)C1=C(C)C2=CC(C3=CC=CC=C3)=CC=C2N1)C1=NNN=N1	REAL000000007618	1	50	0.0	-12.30	403.22	7.71	-4.60
CCCC(NC(=O)C1=C(C)C2=C(CCCC2)N1)C1=NN=N[N-]1	REAL000000007619	0	43	-1.0	-47.73	342.69	4.54	-43.19
CCCC(NC(=O)C1=C(C)C2=C(CCCC2)N1)C1=N[N-]N=N1	REAL000000007619	1	43	-1.0	-47.73	342.63	4.53	-43.20
CCCC(NC(=O)C1=C(C)C2=C(CCCC2)N1)C1=NNN=N1	REAL000000007619	1	44	0.0	-8.29	338.88	4.22	-4.07
CCCC(NC(=O)C1=CC(CC2CCC2)=CN1)C1=NN=N[N-]1	REAL000000007620	0	43	-1.0	-48.18	353.00	4.97	-43.21
CCCC(NC(=O)C1=CC(CC2CCC2)=CN1)C1=N[N-]N=N1	REAL000000007620	1	43	-1.0	-48.18	352.94	4.96	-43.22
CCCC(NC(=O)C1=CC(CC2CCC2)=CN1)C1=NNN=N1	REAL000000007620	1	44	0.0	-12.36	356.38	4.98	-7.38
CCCC(NC(=O)CC1=CC(C(=O)OC)=CS1)C1=NN=N[N-]1	REAL000000007621	0	38	-1.0	-47.72	345.41	4.10	-43.62
CCCC(NC(=O)CC1=CC(C(=O)OC)=CS1)C1=N[N-]N=N1	REAL000000007621	1	38	-1.0	-47.73	345.35	4.10	-43.63
CCCC(NC(=O)CC1=CC(C(=O)OC)=CS1)C1=NNN=N1	REAL000000007621	1	39	0.0	-16.12	348.79	4.11	-12.02
CCCC(NC(=O)CC1=CC=C(C(=O)OC)C(F)=C1)C1=NN=N[N-]1	REAL000000007622	0	41	-1.0	-49.02	358.34	5.00	-44.02
CCCC(NC(=O)CC1=CC=C(C(=O)OC)C(F)=C1)C1=N[N-]N=N1	REAL000000007622	1	41	-1.0	-49.02	358.28	4.99	-44.03
CCCC(NC(=O)CC1=CC=C(C(=O)OC)C(F)=C1)C1=NNN=N1	REAL000000007622	1	42	0.0	-15.74	354.53	4.68	-11.06
CCCC(NC(=O)CN1C(=O)[C@H](C)[C@H](C)C1=O)C1=NN=N[N-]1	REAL000000007623	0	41	-1.0	-53.15	340.28	2.43	-50.72
CCCC(NC(=O)CN1C(=O)[C@H](C)[C@H](C)C1=O)C1=N[N-]N=N1	REAL000000007623	1	41	-1.0	-53.14	340.23	2.43	-50.71
CCCC(NC(=O)CN1C(=O)[C@H](C)[C@H](C)C1=O)C1=NNN=N1	REAL000000007623	1	42	0.0	-16.20	343.66	2.44	-13.76
CCCC(NC(=O)C1CC(=O)N([C@@H](C)C2=CC=C(F)C=C2)C1)C1=NN=N[N-]1	REAL000000007624	0	49	-1.0	-45.60	401.00	6.19	-39.41
CCCC(NC(=O)C1CC(=O)N([C@@H](C)C2=CC=C(F)C=C2)C1)C1=N[N-]N=N1	REAL000000007624	1	49	-1.0	-45.60	400.95	6.19	-39.41
CCCC(NC(=O)C1CC(=O)N([C@@H](C)C2=CC=C(F)C=C2)C1)C1=NNN=N1	REAL000000007624	1	50	0.0	-18.70	401.24	6.26	-12.44
CCCC(NC(=O)C1CCC2(CNC(=O)C2)CC1)C1=NN=N[N-]1	REAL000000007625	0	46	-1.0	-50.46	356.20	1.73	-48.72
CCCC(NC(=O)C1CCC2(CNC(=O)C2)CC1)C1=N[N-]N=N1	REAL000000007625	1	46	-1.0	-50.45	356.15	1.73	-48.73
CCCC(NC(=O)C1CCC2(CNC(=O)C2)CC1)C1=NNN=N1	REAL000000007625	1	47	0.0	-16.14	359.58	1.74	-14.40
CCCC(NC(=O)C1=C2CCCCC2=C(C(=O)OC)S1)C1=NN=N[N-]1	REAL000000007626	0	45	-1.0	-43.88	378.26	5.83	-38.05
CCCC(NC(=O)C1=C2CCCCC2=C(C(=O)OC)S1)C1=N[N-]N=N1	REAL000000007626	1	45	-1.0	-43.87	378.20	5.82	-38.06
CCCC(NC(=O)C1=C2CCCCC2=C(C(=O)OC)S1)C1=NNN=N1	REAL000000007626	1	46	0.0	-10.15	381.62	5.83	-4.31
CCCC(NC(=O)C1CC(C2CCOCC2)=NO1)C1=NN=N[N-]1	REAL000000007627	0	44	-1.0	-55.50	358.35	2.92	-52.58
CCCC(NC(=O)C1CC(C2CCOCC2)=NO1)C1=N[N-]N=N1	REAL000000007627	1	44	-1.0	-55.50	358.29	2.91	-52.58
CCCC(NC(=O)C1CC(C2CCOCC2)=NO1)C1=NNN=N1	REAL000000007627	1	45	0.0	-19.86	361.39	2.92	-16.95
CCCC(NC(=O)C1CC(CC2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL000000007628	0	43	-1.0	-52.71	364.93	5.82	-46.88
CCCC(NC(=O)C1CC(CC2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL000000007628	1	43	-1.0	-52.71	364.87	5.82	-46.89
CCCC(NC(=O)C1CC(CC2=CC=CC=C2)=NO1)C1=NNN=N1	REAL000000007628	1	44	0.0	-16.33	361.14	5.41	-10.92
CCCC(NC(=O)C1=C(N)C2=CC=C(CC(C)C)N=C2S1)C1=NN=N[N-]1	REAL000000007629	0	48	-1.0	-48.63	400.11	4.07	-44.56
CCCC(NC(=O)C1=C(N)C2=CC=C(CC(C)C)N=C2S1)C1=N[N-]N=N1	REAL000000007629	1	48	-1.0	-48.64	400.05	4.07	-44.57
CCCC(NC(=O)C1=C(N)C2=CC=C(CC(C)C)N=C2S1)C1=NNN=N1	REAL000000007629	1	49	0.0	-11.52	399.80	4.65	-6.88
CCCC(NC(=O)C1CC(=O)N([C@H](C)C2=CC=C(F)C=C2)C1)C1=NN=N[N-]1	REAL000000007630	0	49	-1.0	-45.49	400.77	6.22	-39.28
CCCC(NC(=O)C1CC(=O)N([C@H](C)C2=CC=C(F)C=C2)C1)C1=N[N-]N=N1	REAL000000007630	1	49	-1.0	-45.49	400.71	6.21	-39.28
CCCC(NC(=O)C1CC(=O)N([C@H](C)C2=CC=C(F)C=C2)C1)C1=NNN=N1	REAL000000007630	1	50	0.0	-13.41	396.97	5.89	-7.52
CCCC(NC(=O)C1=CC(Br)=CC2=C1NC(=O)CO2)C1=NN=N[N-]1	REAL000000007631	0	38	-1.0	-46.68	341.46	1.90	-44.78
CCCC(NC(=O)C1=CC(Br)=CC2=C1NC(=O)CO2)C1=N[N-]N=N1	REAL000000007631	1	38	-1.0	-46.68	341.40	1.90	-44.78
CCCC(NC(=O)C1=CC(Br)=CC2=C1NC(=O)CO2)C1=NNN=N1	REAL000000007631	1	39	0.0	-13.01	344.87	1.90	-11.10
CCCC(NC(=O)C1=CN(C2CC2)C(C)=C(Br)C1=O)C1=NN=N[N-]1	REAL000000007632	0	42	-1.0	-57.42	360.83	5.47	-51.95
CCCC(NC(=O)C1=CN(C2CC2)C(C)=C(Br)C1=O)C1=N[N-]N=N1	REAL000000007632	1	42	-1.0	-57.44	360.77	5.47	-51.97
CCCC(NC(=O)C1=CN(C2CC2)C(C)=C(Br)C1=O)C1=NNN=N1	REAL000000007632	1	43	0.0	-16.68	364.20	5.48	-11.20
CCCC(NC(=O)C1=C2CCCCC2=NNC1=O)C1=NN=N[N-]1	REAL000000007633	0	41	-1.0	-49.20	329.27	1.89	-47.32
CCCC(NC(=O)C1=C2CCCCC2=NNC1=O)C1=N[N-]N=N1	REAL000000007633	1	41	-1.0	-49.21	329.21	1.88	-47.33
CCCC(NC(=O)C1=C2CCCCC2=NNC1=O)C1=NNN=N1	REAL000000007633	1	42	0.0	-9.65	325.08	1.58	-8.07
CCCC(NC(=O)C1=CC=C(N2CCCNS2(=O)=O)C=C1)C1=NN=N[N-]1	REAL000000007634	0	46	-1.0	-57.80	380.23	0.65	-57.15
CCCC(NC(=O)C1=CC=C(N2CCCNS2(=O)=O)C=C1)C1=N[N-]N=N1	REAL000000007634	1	46	-1.0	-57.81	380.17	0.65	-57.15
CCCC(NC(=O)C1=CC=C(N2CCCNS2(=O)=O)C=C1)C1=NNN=N1	REAL000000007634	1	47	0.0	-17.89	383.61	0.66	-17.23
CCCC(NC(=O)C1=CN=C(C2CCOCC2)S1)C1=NN=N[N-]1	REAL000000007635	0	42	-1.0	-45.89	357.54	2.40	-43.49
CCCC(NC(=O)C1=CN=C(C2CCOCC2)S1)C1=N[N-]N=N1	REAL000000007635	1	42	-1.0	-45.89	357.48	2.39	-43.49
CCCC(NC(=O)C1=CN=C(C2CCOCC2)S1)C1=NNN=N1	REAL000000007635	1	43	0.0	-11.78	360.91	2.40	-9.38
CCCC(NC(=O)C12CC(C(F)(F)F)(C1)CO2)C1=NN=N[N-]1	REAL000000007636	0	37	-1.0	-41.12	323.68	2.23	-38.89
CCCC(NC(=O)C12CC(C(F)(F)F)(C1)CO2)C1=N[N-]N=N1	REAL000000007636	1	37	-1.0	-41.11	323.63	2.23	-38.89
CCCC(NC(=O)C12CC(C(F)(F)F)(C1)CO2)C1=NNN=N1	REAL000000007636	1	38	0.0	-6.40	320.20	1.90	-4.50
CCCC(NC(=O)C(C)NC1=CC=C(C(F)(F)F)C=N1)C1=NN=N[N-]1	REAL000000007637	0	42	-1.0	-46.22	363.54	3.40	-42.82
CCCC(NC(=O)C(C)NC1=CC=C(C(F)(F)F)C=N1)C1=N[N-]N=N1	REAL000000007637	1	42	-1.0	-46.21	363.49	3.39	-42.81
CCCC(NC(=O)C(C)NC1=CC=C(C(F)(F)F)C=N1)C1=NNN=N1	REAL000000007637	1	43	0.0	-13.35	366.91	3.41	-9.94
CCCC(NC(=O)C1=CN=C2COCCC2=C1)C1=NN=N[N-]1	REAL000000007638	0	39	-1.0	-45.04	323.31	1.92	-43.12
CCCC(NC(=O)C1=CN=C2COCCC2=C1)C1=N[N-]N=N1	REAL000000007638	1	39	-1.0	-45.03	323.25	1.92	-43.12
CCCC(NC(=O)C1=CN=C2COCCC2=C1)C1=NNN=N1	REAL000000007638	1	40	0.0	-11.36	326.69	1.93	-9.43
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1CC)C1=NN=N[N-]1	REAL000000007639	0	40	-1.0	-42.36	336.81	5.73	-36.63
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1CC)C1=N[N-]N=N1	REAL000000007639	1	40	-1.0	-42.36	336.75	5.74	-36.62
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1CC)C1=NNN=N1	REAL000000007639	1	41	0.0	-8.51	330.25	5.28	-3.23
CCCC(NC(=O)C1=NN(CC(F)(F)F)C(C)=C1)C1=NN=N[N-]1	REAL000000007640	0	38	-1.0	-51.57	337.91	3.11	-48.46
CCCC(NC(=O)C1=NN(CC(F)(F)F)C(C)=C1)C1=N[N-]N=N1	REAL000000007640	1	38	-1.0	-51.57	337.86	3.11	-48.46
CCCC(NC(=O)C1=NN(CC(F)(F)F)C(C)=C1)C1=NNN=N1	REAL000000007640	1	39	0.0	-14.05	341.29	3.12	-10.93
CCCC(NC(=O)C1=CC(Br)=CC(OCCOC)=C1)C1=NN=N[N-]1	REAL000000007641	0	43	-1.0	-48.00	380.60	3.78	-44.22
CCCC(NC(=O)C1=CC(Br)=CC(OCCOC)=C1)C1=N[N-]N=N1	REAL000000007641	1	43	-1.0	-48.00	380.54	3.77	-44.22
CCCC(NC(=O)C1=CC(Br)=CC(OCCOC)=C1)C1=NNN=N1	REAL000000007641	1	44	0.0	-9.36	376.78	3.46	-5.90
CCCC(NC(=O)C1=CN(C)C2=C(Cl)C=CC=C12)C1=NN=N[N-]1	REAL000000007642	0	39	-1.0	-51.10	340.19	5.65	-45.46
CCCC(NC(=O)C1=CN(C)C2=C(Cl)C=CC=C12)C1=N[N-]N=N1	REAL000000007642	1	39	-1.0	-51.10	340.13	5.65	-45.45
CCCC(NC(=O)C1=CN(C)C2=C(Cl)C=CC=C12)C1=NNN=N1	REAL000000007642	1	40	0.0	-14.89	343.57	5.66	-9.23
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2)=C1C)C1=NN=N[N-]1	REAL000000007643	0	41	-1.0	-44.66	351.59	5.34	-39.32
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2)=C1C)C1=N[N-]N=N1	REAL000000007643	1	41	-1.0	-44.66	351.53	5.33	-39.33
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2)=C1C)C1=NNN=N1	REAL000000007643	1	42	0.0	-9.31	354.96	5.35	-3.96
CCCC(NC(=O)C=CC1=C(Br)C=CS1)C1=NN=N[N-]1	REAL000000007644	0	33	-1.0	-46.73	319.03	4.50	-42.24
CCCC(NC(=O)C=CC1=C(Br)C=CS1)C1=N[N-]N=N1	REAL000000007644	1	33	-1.0	-46.74	318.97	4.49	-42.25
CCCC(NC(=O)C=CC1=C(Br)C=CS1)C1=NNN=N1	REAL000000007644	1	34	0.0	-11.15	322.40	4.51	-6.64
CCCC(NC(=O)C=CC1=C(Br)SC=C1)C1=NN=N[N-]1	REAL000000007645	0	33	-1.0	-47.43	318.96	4.45	-42.97
CCCC(NC(=O)C=CC1=C(Br)SC=C1)C1=N[N-]N=N1	REAL000000007645	1	33	-1.0	-47.42	318.90	4.45	-42.98
CCCC(NC(=O)C=CC1=C(Br)SC=C1)C1=NNN=N1	REAL000000007645	1	34	0.0	-12.06	322.33	4.47	-7.60
CCCC(NC(=O)C1=CN=CC(N2C=CC=N2)=N1)C1=NN=N[N-]1	REAL000000007646	0	37	-1.0	-43.66	327.15	2.32	-41.35
CCCC(NC(=O)C1=CN=CC(N2C=CC=N2)=N1)C1=N[N-]N=N1	REAL000000007646	1	37	-1.0	-43.66	327.09	2.31	-41.36
CCCC(NC(=O)C1=CN=CC(N2C=CC=N2)=N1)C1=NNN=N1	REAL000000007646	1	38	0.0	-10.56	330.52	2.33	-8.23
CCCC(NC(=O)C1=C2C=CN=CC2=CC(F)=C1)C1=NN=N[N-]1	REAL000000007647	0	37	-1.0	-46.58	316.59	4.17	-42.41
CCCC(NC(=O)C1=C2C=CN=CC2=CC(F)=C1)C1=N[N-]N=N1	REAL000000007647	1	37	-1.0	-46.57	316.53	4.17	-42.40
CCCC(NC(=O)C1=C2C=CN=CC2=CC(F)=C1)C1=NNN=N1	REAL000000007647	1	38	0.0	-11.54	319.96	4.18	-7.36
CCCC(NC(=O)C1=CC=C(C2=CN=NN2C)C=C1)C1=NN=N[N-]1	REAL000000007648	0	41	-1.0	-49.70	343.92	3.42	-46.27
CCCC(NC(=O)C1=CC=C(C2=CN=NN2C)C=C1)C1=N[N-]N=N1	REAL000000007648	1	41	-1.0	-49.69	343.86	3.42	-46.27
CCCC(NC(=O)C1=CC=C(C2=CN=NN2C)C=C1)C1=NNN=N1	REAL000000007648	1	42	0.0	-16.51	347.31	3.43	-13.08
CCCC(NC(=O)C#CC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL000000007649	0	34	-1.0	-45.15	318.84	5.12	-40.03
CCCC(NC(=O)C#CC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL000000007649	1	34	-1.0	-45.15	318.78	5.12	-40.03
CCCC(NC(=O)C#CC1=CC=C(F)C(F)=C1)C1=NNN=N1	REAL000000007649	1	35	0.0	-11.74	322.21	5.13	-6.61
CCCC(NC(=O)C1C=CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000007650	0	50	-1.0	-50.49	394.84	4.49	-46.00
CCCC(NC(=O)C1C=CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000007650	1	50	-1.0	-50.49	394.78	4.48	-46.01
CCCC(NC(=O)C1C=CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007650	1	51	0.0	-14.08	398.20	4.50	-9.58
CCCC(NC(=O)C1=NOC(COC2=CC=C(F)C=C2F)=C1)C1=NN=N[N-]1	REAL000000007651	0	42	-1.0	-50.66	377.50	4.49	-46.17
CCCC(NC(=O)C1=NOC(COC2=CC=C(F)C=C2F)=C1)C1=N[N-]N=N1	REAL000000007651	1	42	-1.0	-50.66	377.45	4.49	-46.17
CCCC(NC(=O)C1=NOC(COC2=CC=C(F)C=C2F)=C1)C1=NNN=N1	REAL000000007651	1	43	0.0	-14.92	380.88	4.50	-10.41
CCCC(NC(=O)C1=C(N)N(C2=CC=C(F)C=C2)N=C1)C1=NN=N[N-]1	REAL000000007652	0	41	-1.0	-45.55	350.92	3.98	-41.57
CCCC(NC(=O)C1=C(N)N(C2=CC=C(F)C=C2)N=C1)C1=N[N-]N=N1	REAL000000007652	1	41	-1.0	-45.54	350.87	3.97	-41.57
CCCC(NC(=O)C1=C(N)N(C2=CC=C(F)C=C2)N=C1)C1=NNN=N1	REAL000000007652	1	42	0.0	-11.79	354.28	3.99	-7.80
CCCC(NC(=O)C1=CC2=NNN=C2C(C)=C1)C1=NN=N[N-]1	REAL000000007653	0	37	-1.0	-45.35	315.61	1.57	-43.77
CCCC(NC(=O)C1=CC2=NNN=C2C(C)=C1)C1=N[N-]N=N1	REAL000000007653	1	37	-1.0	-45.35	315.55	1.57	-43.78
CCCC(NC(=O)C1=CC=CC(N2C=CC=C2)=N1)C1=NN=N[N-]1	REAL000000007654	0	39	-1.0	-48.33	334.75	5.78	-42.55
CCCC(NC(=O)C1=CC=CC(N2C=CC=C2)=N1)C1=N[N-]N=N1	REAL000000007654	1	39	-1.0	-48.33	334.69	5.77	-42.56
CCCC(NC(=O)C1=CC=CC(N2C=CC=C2)=N1)C1=NNN=N1	REAL000000007654	1	40	0.0	-11.62	338.13	5.79	-5.83
CCCC(NC(=O)CCC1=CC=C2OC=NC2=C1)C1=NN=N[N-]1	REAL000000007655	0	40	-1.0	-48.34	342.11	2.04	-46.31
CCCC(NC(=O)CCC1=CC=C2OC=NC2=C1)C1=N[N-]N=N1	REAL000000007655	1	40	-1.0	-48.34	342.05	2.03	-46.31
CCCC(NC(=O)CCC1=CC=C2OC=NC2=C1)C1=NNN=N1	REAL000000007655	1	41	0.0	-14.95	345.48	2.05	-12.91
CCCC(NC(=O)C1=CC2=C(CCSC2)N=C1Cl)C1=NN=N[N-]1	REAL000000007656	0	39	-1.0	-47.33	345.59	4.53	-42.80
CCCC(NC(=O)C1=CC2=C(CCSC2)N=C1Cl)C1=N[N-]N=N1	REAL000000007656	1	39	-1.0	-47.33	345.53	4.53	-42.80
CCCC(NC(=O)C1=CC2=C(CCSC2)N=C1Cl)C1=NNN=N1	REAL000000007656	1	40	0.0	-13.66	348.97	4.54	-9.12
CCCC(NC(=O)C1=CC(Cl)=CC2=C1NCCC2)C1=NN=N[N-]1	REAL000000007657	0	41	-1.0	-45.83	345.60	4.63	-41.20
CCCC(NC(=O)C1=CC(Cl)=CC2=C1NCCC2)C1=N[N-]N=N1	REAL000000007657	1	41	-1.0	-45.83	345.54	4.62	-41.21
CCCC(NC(=O)C1=CC(Cl)=CC2=C1NCCC2)C1=NNN=N1	REAL000000007657	1	42	0.0	-8.95	348.97	4.64	-4.32
CCCC(NC(=O)C1=CN=C(C2=COC=C2)N=C1N)C1=NN=N[N-]1	REAL000000007658	0	39	-1.0	-44.63	336.77	1.84	-42.79
CCCC(NC(=O)C1=CN=C(C2=COC=C2)N=C1N)C1=N[N-]N=N1	REAL000000007658	1	39	-1.0	-44.63	336.71	1.84	-42.79
CCCC(NC(=O)C1=CN=C(C2=COC=C2)N=C1N)C1=NNN=N1	REAL000000007658	1	40	0.0	-12.22	340.46	1.84	-10.38
CCCC(NC(=O)C1=CC=CC(C(N)=O)=C1C)C1=NN=N[N-]1	REAL000000007659	0	39	-1.0	-55.14	319.01	1.13	-54.01
CCCC(NC(=O)C1=CC=CC(C(N)=O)=C1C)C1=N[N-]N=N1	REAL000000007659	1	39	-1.0	-55.14	318.96	1.12	-54.02
CCCC(NC(=O)C1=CC=CC(C(N)=O)=C1C)C1=NNN=N1	REAL000000007659	1	40	0.0	-18.90	322.42	1.14	-17.76
CCCC(NC(=O)CC1=CC(Cl)=CC(Br)=C1)C1=NN=N[N-]1	REAL000000007660	0	35	-1.0	-44.78	337.01	5.45	-39.33
CCCC(NC(=O)CC1=CC(Cl)=CC(Br)=C1)C1=N[N-]N=N1	REAL000000007660	1	35	-1.0	-44.77	336.95	5.44	-39.33
CCCC(NC(=O)CC1=CC(Cl)=CC(Br)=C1)C1=NNN=N1	REAL000000007660	1	36	0.0	-11.45	340.39	5.46	-5.99
CCCC(NC(=O)CC1=CC(C(F)(F)F)=NN1C)C1=NN=N[N-]1	REAL000000007661	0	38	-1.0	-48.15	340.61	2.84	-45.31
CCCC(NC(=O)CC1=CC(C(F)(F)F)=NN1C)C1=N[N-]N=N1	REAL000000007661	1	38	-1.0	-48.15	340.55	2.84	-45.31
CCCC(NC(=O)CC1=CC(C(F)(F)F)=NN1C)C1=NNN=N1	REAL000000007661	1	39	0.0	-17.76	343.98	2.84	-14.91
CCCC(NC(=O)C1=CC2=CC=CC(OC(F)F)=C2O1)C1=NN=N[N-]1	REAL000000007662	0	39	-1.0	-47.17	344.86	3.60	-43.56
CCCC(NC(=O)C1=CC2=CC=CC(OC(F)F)=C2O1)C1=N[N-]N=N1	REAL000000007662	1	39	-1.0	-47.17	344.80	3.59	-43.58
CCCC(NC(=O)C1=CC2=CC=CC(OC(F)F)=C2O1)C1=NNN=N1	REAL000000007662	1	40	0.0	-10.60	341.06	3.28	-7.32
CCCC(NC(=O)C1CCN2C=C(CC)N=C2C1)C1=NN=N[N-]1	REAL000000007663	0	45	-1.0	-45.49	362.53	5.15	-40.33
CCCC(NC(=O)C1CCN2C=C(CC)N=C2C1)C1=N[N-]N=N1	REAL000000007663	1	45	-1.0	-45.49	362.47	5.14	-40.34
CCCC(NC(=O)C1CCN2C=C(CC)N=C2C1)C1=NNN=N1	REAL000000007663	1	46	0.0	-12.80	365.89	5.17	-7.63
CCCC(NC(=O)CC1CCCC2CCCCC12)C1=NN=N[N-]1	REAL000000007664	0	51	-1.0	-44.97	369.74	6.54	-38.43
CCCC(NC(=O)CC1CCCC2CCCCC12)C1=N[N-]N=N1	REAL000000007664	1	51	-1.0	-44.97	369.68	6.53	-38.43
CCCC(NC(=O)CC1CCCC2CCCCC12)C1=NNN=N1	REAL000000007664	1	52	0.0	-5.91	365.94	6.22	0.31
CCCC(NC(=O)C1=CSC2=CC=CC(OC)=C12)C1=NN=N[N-]1	REAL000000007665	0	39	-1.0	-50.87	334.39	5.69	-45.19
CCCC(NC(=O)C1=CSC2=CC=CC(OC)=C12)C1=N[N-]N=N1	REAL000000007665	1	39	-1.0	-50.87	334.33	5.69	-45.18
CCCC(NC(=O)C1=CSC2=CC=CC(OC)=C12)C1=NNN=N1	REAL000000007665	1	40	0.0	-13.50	337.76	5.70	-7.80
CCCC(NC(=O)C1=C2C=CC=CC2=NS1)C1=NN=N[N-]1	REAL000000007666	0	34	-1.0	-47.27	305.20	3.57	-43.70
CCCC(NC(=O)C1=C2C=CC=CC2=NS1)C1=N[N-]N=N1	REAL000000007666	1	34	-1.0	-47.27	305.14	3.56	-43.71
CCCC(NC(=O)C1=C2C=CC=CC2=NS1)C1=NNN=N1	REAL000000007666	1	35	0.0	-12.49	308.58	3.58	-8.91
CCCC(NC(=O)C1=C2N=NN(C)C2=CC=C1)C1=NN=N[N-]1	REAL000000007667	0	37	-1.0	-63.83	317.14	2.29	-61.54
CCCC(NC(=O)C1=C2N=NN(C)C2=CC=C1)C1=N[N-]N=N1	REAL000000007667	1	37	-1.0	-63.83	317.08	2.29	-61.54
CCCC(NC(=O)C1=C2N=NN(C)C2=CC=C1)C1=NNN=N1	REAL000000007667	1	38	0.0	-20.03	313.34	1.97	-18.06
CCCC(NC(=O)C1=C2SC(Br)=CN2C=N1)C1=NN=N[N-]1	REAL000000007668	0	32	-1.0	-51.00	316.99	4.70	-46.30
CCCC(NC(=O)C(=O)C1=CNC2=CC=C(F)C=C12)C1=NN=N[N-]1	REAL000000007669	0	38	-1.0	-45.14	333.82	3.60	-41.54
CCCC(NC(=O)C(=O)C1=CNC2=CC=C(F)C=C12)C1=N[N-]N=N1	REAL000000007669	1	38	-1.0	-45.14	333.76	3.59	-41.55
CCCC(NC(=O)C(=O)C1=CNC2=CC=C(F)C=C12)C1=NNN=N1	REAL000000007669	1	39	0.0	-12.32	330.02	3.27	-9.06
CCCC(NC(=O)C1=CN(CCNC(=O)OC(C)(C)C)N=C1)C1=NN=N[N-]1	REAL000000007670	0	52	-1.0	-51.41	427.42	2.02	-49.39
CCCC(NC(=O)C1=CN(CCNC(=O)OC(C)(C)C)N=C1)C1=N[N-]N=N1	REAL000000007670	1	52	-1.0	-51.41	427.37	2.01	-49.40
CCCC(NC(=O)C1=CN(CCNC(=O)OC(C)(C)C)N=C1)C1=NNN=N1	REAL000000007670	1	53	0.0	-17.27	430.80	2.03	-15.24
CCCC(NC(=O)C1CC(C)N(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000007671	0	52	-1.0	-46.83	407.19	4.40	-42.43
CCCC(NC(=O)C1CC(C)N(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000007671	1	52	-1.0	-46.82	407.13	4.40	-42.42
CCCC(NC(=O)C1CC(C)N(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007671	1	53	0.0	-12.89	410.54	4.42	-8.48
CCCC(NC(=O)C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000007672	0	61	0.0	-73.84	462.84	4.08	-69.76
CCCC(NC(=O)C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000007672	1	61	0.0	-73.83	462.79	4.08	-69.75
CCCC(NC(=O)C1=CC2=C(CCCC2=O)N1)C1=NN=N[N-]1	REAL000000007673	0	39	-1.0	-56.16	327.71	2.98	-53.18
CCCC(NC(=O)C1=CC2=C(CCCC2=O)N1)C1=N[N-]N=N1	REAL000000007673	1	39	-1.0	-56.16	327.65	2.97	-53.18
CCCC(NC(=O)C1=CC2=C(CCCC2=O)N1)C1=NNN=N1	REAL000000007673	1	40	0.0	-20.68	331.08	2.99	-17.68
CCCC(NC(=O)C1=C(N)C2=CC=C(C(C)(C)C)N=C2S1)C1=NN=N[N-]1	REAL000000007674	0	48	-1.0	-48.41	396.49	3.96	-44.45
CCCC(NC(=O)C1=C(N)C2=CC=C(C(C)(C)C)N=C2S1)C1=N[N-]N=N1	REAL000000007674	1	48	-1.0	-48.41	396.43	3.96	-44.44
CCCC(NC(=O)C1=C(N)C2=CC=C(C(C)(C)C)N=C2S1)C1=NNN=N1	REAL000000007674	1	49	0.0	-11.74	399.87	3.97	-7.77
CCCC(NC(=O)C1=COC(CN2C=CC=N2)=C1)C1=NN=N[N-]1	REAL000000007675	0	39	-1.0	-53.89	342.02	3.44	-50.45
CCCC(NC(=O)C1=COC(CN2C=CC=N2)=C1)C1=N[N-]N=N1	REAL000000007675	1	39	-1.0	-53.90	341.96	3.44	-50.46
CCCC(NC(=O)C1=COC(CN2C=CC=N2)=C1)C1=NNN=N1	REAL000000007675	1	40	0.0	-18.33	345.40	3.45	-14.88
CCCC(NC(=O)C1=CC=C2NC=C(C#N)C2=C1)C1=NN=N[N-]1	REAL000000007676	0	37	-1.0	-59.30	326.87	4.16	-55.14
CCCC(NC(=O)C1=CC=C2NC=C(C#N)C2=C1)C1=N[N-]N=N1	REAL000000007676	1	37	-1.0	-59.30	326.81	4.16	-55.14
CCCC(NC(=O)C1=CC=C2NC=C(C#N)C2=C1)C1=NNN=N1	REAL000000007676	1	38	0.0	-21.67	330.25	4.17	-17.51
CCCC(NC(=O)C1=CNC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000007677	0	40	-1.0	-52.60	339.13	5.04	-47.56
CCCC(NC(=O)C1=CNC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000007677	1	40	-1.0	-52.61	339.07	5.03	-47.58
CCCC(NC(=O)C1=CNC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000007677	1	41	0.0	-15.85	342.51	5.05	-10.80
CCCC(NC(=O)C(O)C1CCC(C(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000007678	0	54	-1.0	-42.24	387.98	3.51	-38.72
CCCC(NC(=O)C(O)C1CCC(C(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000007678	1	54	-1.0	-42.23	387.92	3.52	-38.72
CCCC(NC(=O)C(O)C1CCC(C(C)(C)C)CC1)C1=NNN=N1	REAL000000007678	1	55	0.0	-6.17	384.55	3.17	-3.00
CCCC(NC(=O)C(=O)C1=CC=C(Br)C=C1OC)C1=NN=N[N-]1	REAL000000007679	0	38	-1.0	-41.89	343.49	4.67	-37.22
CCCC(NC(=O)C(=O)C1=CC=C(Br)C=C1OC)C1=N[N-]N=N1	REAL000000007679	1	38	-1.0	-41.89	343.44	4.67	-37.22
CCCC(NC(=O)C(=O)C1=CC=C(Br)C=C1OC)C1=NNN=N1	REAL000000007679	1	39	0.0	-8.81	346.88	4.68	-4.13
CCCC(NC(=O)C1=C(N)N(C2=CC=CC=C2F)N=C1)C1=NN=N[N-]1	REAL000000007680	0	41	-1.0	-50.97	352.64	3.98	-46.99
CCCC(NC(=O)C1=C(N)N(C2=CC=CC=C2F)N=C1)C1=N[N-]N=N1	REAL000000007680	1	41	-1.0	-50.96	352.58	3.97	-47.00
CCCC(NC(=O)C1=C(N)N(C2=CC=CC=C2F)N=C1)C1=NNN=N1	REAL000000007680	1	42	0.0	-12.76	348.81	3.65	-9.11
CCCC(NC(=O)C1=C2NC=CC2=CC(F)=C1)C1=NN=N[N-]1	REAL000000007681	0	36	-1.0	-44.67	309.87	3.91	-40.76
CCCC(NC(=O)C1=C2NC=CC2=CC(F)=C1)C1=N[N-]N=N1	REAL000000007681	1	36	-1.0	-44.67	309.81	3.90	-40.76
CCCC(NC(=O)C1=C2NC=CC2=CC(F)=C1)C1=NNN=N1	REAL000000007681	1	37	0.0	-10.37	313.24	3.92	-6.44
CCCC(NC(=O)CC1=C(CC)NN=C1CC)C1=NN=N[N-]1	REAL000000007682	0	44	-1.0	-47.62	359.61	3.27	-44.34
CCCC(NC(=O)CC1=C(CC)NN=C1CC)C1=N[N-]N=N1	REAL000000007682	1	44	-1.0	-47.61	359.55	3.26	-44.35
CCCC(NC(=O)CC1=C(CC)NN=C1CC)C1=NNN=N1	REAL000000007682	1	45	0.0	-11.06	348.06	2.72	-8.34
CCCC(NC(=O)C1=C2N=C(N(C)C)OC2=CC=C1)C1=NN=N[N-]1	REAL000000007683	0	42	-1.0	-59.17	353.68	2.45	-56.72
CCCC(NC(=O)C1=C2N=C(N(C)C)OC2=CC=C1)C1=N[N-]N=N1	REAL000000007683	1	42	-1.0	-59.16	353.62	2.45	-56.71
CCCC(NC(=O)C1=C2N=C(N(C)C)OC2=CC=C1)C1=NNN=N1	REAL000000007683	1	43	0.0	-20.64	357.11	2.36	-18.28
CCCC(NC(=O)[C@@H](O)CC1=CC=C2C=CC=CC2=C1)C1=NN=N[N-]1	REAL000000007684	0	45	-1.0	-47.62	376.18	5.26	-42.36
CCCC(NC(=O)[C@@H](O)CC1=CC=C2C=CC=CC2=C1)C1=N[N-]N=N1	REAL000000007684	1	45	-1.0	-47.62	376.12	5.26	-42.35
CCCC(NC(=O)[C@@H](O)CC1=CC=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000007684	1	46	0.0	-12.89	379.56	5.27	-7.62
CCCC(NC(=O)C1=CC=C(N=S(C)(C)=O)S1)C1=NN=N[N-]1	REAL000000007685	0	39	-1.0	-67.87	349.71	1.06	-66.81
CCCC(NC(=O)C1=CC=C(N=S(C)(C)=O)S1)C1=N[N-]N=N1	REAL000000007685	1	39	-1.0	-67.88	349.65	1.05	-66.82
CCCC(NC(=O)C1=CC=C(N=S(C)(C)=O)S1)C1=NNN=N1	REAL000000007685	1	40	0.0	-23.09	345.88	0.74	-22.35
CCCC(NC(=O)CCC(=O)C1=CC(Br)=CS1)C1=NN=N[N-]1	REAL000000007686	0	37	-1.0	-43.81	352.94	4.67	-39.14
CCCC(NC(=O)CCC(=O)C1=CC(Br)=CS1)C1=N[N-]N=N1	REAL000000007686	1	37	-1.0	-43.81	352.89	4.67	-39.14
CCCC(NC(=O)CCC(=O)C1=CC(Br)=CS1)C1=NNN=N1	REAL000000007686	1	38	0.0	-8.95	349.13	4.36	-4.59
CCCC(NC(=O)C1CCC[N@H+](CC(C)C)C1)C1=NN=N[N-]1	REAL000000007687	0	50	0.0	-52.08	369.46	5.99	-46.09
CCCC(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C1=NN=N[N-]1	REAL000000007687	1	50	0.0	-52.14	369.47	5.99	-46.15
CCCC(NC(=O)C1CCC[N@H+](CC(C)C)C1)C1=N[N-]N=N1	REAL000000007687	1	50	0.0	-52.07	369.40	5.98	-46.09
CCCC(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C1=N[N-]N=N1	REAL000000007687	1	50	0.0	-52.12	369.41	5.98	-46.15
CCCC(NC(=O)C1CCC[N@H+](CC(C)C)C1)C1=NNN=N1	REAL000000007687	1	51	1.0	-33.89	372.85	6.00	-27.89
CCCC(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C1=NNN=N1	REAL000000007687	1	51	1.0	-38.79	379.10	5.81	-32.98
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CC2(CCCC2)C2=CC=CC=C21	REAL000000007693	0	47	0.0	-18.27	361.75	10.12	-8.15
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CC2(CCCC2)C2=CC=CC=C21	REAL000000007694	0	44	0.0	-10.42	349.11	7.96	-2.46
CCN(C(=O)CCCC1=NN=N[N-]1)C(COC)CC1=CC=CC=C1	REAL000000007695	0	48	-1.0	-47.78	377.39	8.53	-39.25
CCN(C(=O)CCCC1=N[N-]N=N1)C(COC)CC1=CC=CC=C1	REAL000000007695	1	48	-1.0	-47.77	377.33	8.52	-39.25
CCN(C(=O)CCCC1=NNN=N1)C(COC)CC1=CC=CC=C1	REAL000000007695	1	49	0.0	-12.28	380.76	8.54	-3.74
CCN(C(=O)CCC1=NN=N[N-]1)C(COC)CC1=CC=CC=C1	REAL000000007696	0	45	-1.0	-40.67	353.75	6.74	-33.92
CCN(C(=O)CCC1=N[N-]N=N1)C(COC)CC1=CC=CC=C1	REAL000000007696	1	45	-1.0	-40.66	353.69	6.74	-33.92
CCN(C(=O)CCC1=NNN=N1)C(COC)CC1=CC=CC=C1	REAL000000007696	1	46	0.0	-9.28	357.12	6.75	-2.52
CCN(C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(COC)CC1=CC=CC=C1	REAL000000007697	0	52	0.0	-16.77	394.19	8.95	-7.81
CCN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C(COC)CC1=CC=CC=C1	REAL000000007698	0	49	0.0	-9.45	385.79	8.34	-1.11
C[C@@H](NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=C(F)C=C1F	REAL000000007699	0	39	0.0	-17.74	336.00	7.34	-10.40
C[C@@H](NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=C(F)C=C1F	REAL000000007700	0	36	0.0	-9.81	321.42	4.28	-5.53
CN1CCOC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C21	REAL000000007701	0	39	-1.0	-50.55	318.21	1.96	-48.59
CN1CCOC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C21	REAL000000007701	1	39	-1.0	-50.54	318.16	1.96	-48.57
CN1CCOC2=CC=C(NC(=O)CCCC3=NNN=N3)C=C21	REAL000000007701	1	40	0.0	-17.23	321.59	1.97	-15.26
CN1CCOC2=CC=C(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)C=C21	REAL000000007702	0	43	0.0	-19.13	347.53	4.84	-14.29
CN1CCOC2=CC=C(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)C=C21	REAL000000007703	0	40	0.0	-11.26	332.12	1.76	-9.50
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(OCC2=CC=CC=N2)C(F)=C1	REAL000000007704	0	42	-1.0	-54.54	363.59	5.01	-49.54
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(OCC2=CC=CC=N2)C(F)=C1	REAL000000007704	1	42	-1.0	-54.53	363.53	5.00	-49.53
O=C(CCCC1=NNN=N1)NC1=CC=C(OCC2=CC=CC=N2)C(F)=C1	REAL000000007704	1	43	0.0	-20.96	366.97	5.02	-15.94
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OCC2=CC=CC=N2)C(F)=C1	REAL000000007705	0	39	-1.0	-45.27	342.09	4.23	-41.04
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OCC2=CC=CC=N2)C(F)=C1	REAL000000007705	1	39	-1.0	-45.26	342.03	4.22	-41.04
O=C(CCC1=NNN=N1)NC1=CC=C(OCC2=CC=CC=N2)C(F)=C1	REAL000000007705	1	40	0.0	-13.74	345.47	4.24	-9.50
O=C(NC1=CC=C(OCC2=CC=CC=N2)C(F)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007706	0	43	0.0	-14.38	377.56	4.80	-9.58
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Cl)C(C(=O)NCC2=CC=CS2)=C1	REAL000000007707	0	40	-1.0	-41.92	372.43	4.33	-37.59
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Cl)C(C(=O)NCC2=CC=CS2)=C1	REAL000000007707	1	40	-1.0	-41.91	372.38	4.32	-37.60
O=C(CCC1=NNN=N1)NC1=CC=C(Cl)C(C(=O)NCC2=CC=CS2)=C1	REAL000000007707	1	41	0.0	-15.46	375.84	4.34	-11.12
O=C(CCCC1=NN=N[N-]1)NC1CCC2(CCOCC2)CC1	REAL000000007708	0	46	-1.0	-48.10	341.59	3.34	-44.77
O=C(CCCC1=N[N-]N=N1)NC1CCC2(CCOCC2)CC1	REAL000000007708	1	46	-1.0	-48.08	341.54	3.34	-44.75
O=C(CCCC1=NNN=N1)NC1CCC2(CCOCC2)CC1	REAL000000007708	1	47	0.0	-14.40	344.97	3.35	-11.06
O=C(NC1CCC2(CCOCC2)CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007709	0	50	0.0	-16.55	370.51	6.16	-10.39
O=C(NC1CCC2(CCOCC2)CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007710	0	47	0.0	-9.44	355.57	3.13	-6.31
O=C(CCCC1=NN=N[N-]1)NCC1CCCC(C(F)(F)F)C1	REAL000000007711	0	41	-1.0	-48.13	338.61	4.81	-43.32
O=C(CCCC1=N[N-]N=N1)NCC1CCCC(C(F)(F)F)C1	REAL000000007711	1	41	-1.0	-48.12	338.56	4.81	-43.31
O=C(CCCC1=NNN=N1)NCC1CCCC(C(F)(F)F)C1	REAL000000007711	1	42	0.0	-14.77	334.97	4.55	-10.22
O=C(CCC1=NN=N[N-]1)NCC1CCCC(C(F)(F)F)C1	REAL000000007712	0	38	-1.0	-39.89	317.11	4.02	-35.86
O=C(CCC1=N[N-]N=N1)NCC1CCCC(C(F)(F)F)C1	REAL000000007712	1	38	-1.0	-39.88	317.06	4.03	-35.86
O=C(CCC1=NNN=N1)NCC1CCCC(C(F)(F)F)C1	REAL000000007712	1	39	0.0	-11.13	320.49	4.03	-7.10
O=C(NCC1CCCC(C(F)(F)F)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007713	0	45	0.0	-17.08	367.14	7.67	-9.41
O=C(NCC1CCCC(C(F)(F)F)C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007714	0	42	0.0	-9.78	352.58	4.61	-5.17
CC(CCNC(=O)CCCC1=NN=N[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL000000007715	0	50	0.0	-69.48	385.13	6.48	-63.00
CC(CCNC(=O)CCCC1=NN=N[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL000000007715	1	50	0.0	-72.88	388.72	6.50	-66.38
CC(CCNC(=O)CCCC1=N[N-]N=N1)[N@H+](C)CC1=CC=CC=C1	REAL000000007715	1	50	0.0	-69.46	385.07	6.48	-62.98
CC(CCNC(=O)CCCC1=N[N-]N=N1)[N@@H+](C)CC1=CC=CC=C1	REAL000000007715	1	50	0.0	-72.87	388.67	6.49	-66.38
CC(CCNC(=O)CCCC1=NNN=N1)[N@H+](C)CC1=CC=CC=C1	REAL000000007715	1	51	1.0	-46.74	388.50	6.49	-40.25
CC(CCNC(=O)CCCC1=NNN=N1)[N@@H+](C)CC1=CC=CC=C1	REAL000000007715	1	51	1.0	-50.04	392.10	6.51	-43.52
CC(CCNC(=O)CCC1=NN=N[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL000000007716	0	47	0.0	-62.05	363.63	5.70	-56.35
CC(CCNC(=O)CCC1=NN=N[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL000000007716	1	47	0.0	-64.25	367.22	5.72	-58.53
CC(CCNC(=O)CCC1=N[N-]N=N1)[N@H+](C)CC1=CC=CC=C1	REAL000000007716	1	47	0.0	-62.04	363.57	5.70	-56.34
CC(CCNC(=O)CCC1=N[N-]N=N1)[N@@H+](C)CC1=CC=CC=C1	REAL000000007716	1	47	0.0	-64.24	367.17	5.71	-58.53
CC(CCNC(=O)CCC1=NNN=N1)[N@H+](C)CC1=CC=CC=C1	REAL000000007716	1	48	1.0	-45.84	370.32	5.72	-40.12
CC(CCNC(=O)CCC1=NNN=N1)[N@@H+](C)CC1=CC=CC=C1	REAL000000007716	1	48	1.0	-43.43	367.32	5.69	-37.74
CC(CCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)[N@H+](C)CC1=CC=CC=C1	REAL000000007717	0	54	1.0	-48.22	414.23	9.32	-38.90
CC(CCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)[N@@H+](C)CC1=CC=CC=C1	REAL000000007717	1	54	1.0	-48.43	413.46	9.34	-39.09
CC(CCNC(=O)C1=CC=C(C2=NNN=N2)C=N1)[N@H+](C)CC1=CC=CC=C1	REAL000000007718	0	51	1.0	-42.35	399.51	6.27	-36.08
CC(CCNC(=O)C1=CC=C(C2=NNN=N2)C=N1)[N@@H+](C)CC1=CC=CC=C1	REAL000000007718	1	51	1.0	-42.32	399.78	6.27	-36.05
CC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCCCC1O	REAL000000007719	0	46	0.0	-16.95	349.14	3.98	-12.98
CC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCCCC1O	REAL000000007720	0	43	0.0	-9.80	334.19	0.94	-8.86
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(OC2CCC2)C(F)=C1	REAL000000007721	0	40	-1.0	-47.30	336.96	5.04	-42.26
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(OC2CCC2)C(F)=C1	REAL000000007721	1	40	-1.0	-47.28	336.90	5.03	-42.25
O=C(CCCC1=NNN=N1)NC1=CC=C(OC2CCC2)C(F)=C1	REAL000000007721	1	41	0.0	-19.84	340.94	5.04	-14.80
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OC2CCC2)C(F)=C1	REAL000000007722	0	37	-1.0	-39.58	315.46	4.25	-35.33
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OC2CCC2)C(F)=C1	REAL000000007722	1	37	-1.0	-39.57	315.40	4.25	-35.32
O=C(CCC1=NNN=N1)NC1=CC=C(OC2CCC2)C(F)=C1	REAL000000007722	1	38	0.0	-11.85	318.84	4.26	-7.59
O=C(NC1=CC=C(OC2CCC2)C(F)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007723	0	44	0.0	-21.11	366.12	7.87	-13.24
O=C(NC1=CC=C(OC2CCC2)C(F)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007724	0	41	0.0	-13.22	350.93	4.83	-8.39
CC1=CC=C2OC(C)CN(C(=O)CCCC3=NN=N[N-]3)C2=C1	REAL000000007725	0	40	-1.0	-49.10	323.70	5.58	-43.52
CC1=CC=C2OC(C)CN(C(=O)CCCC3=N[N-]N=N3)C2=C1	REAL000000007725	1	40	-1.0	-49.09	323.64	5.58	-43.51
CC1=CC=C2OC(C)CN(C(=O)CCCC3=NNN=N3)C2=C1	REAL000000007725	1	41	0.0	-16.76	327.08	5.59	-11.17
CC1=CC=C2OC(C)CN(C(=O)C3=CC=CC(NC4=NNN=N4)=C3)C2=C1	REAL000000007726	0	44	0.0	-17.47	351.77	8.12	-9.35
CC1=CC=C2OC(C)CN(C(=O)C3=CC=C(C4=NNN=N4)C=N3)C2=C1	REAL000000007727	0	41	0.0	-11.19	335.17	5.97	-5.23
C[C@H](NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=C(F)C=C1F	REAL000000007728	0	39	0.0	-17.92	335.89	7.37	-10.55
C[C@H](NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=C(F)C=C1F	REAL000000007729	0	36	0.0	-9.89	321.46	4.28	-5.61
CC(N(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1(C)CC1	REAL000000007730	0	42	0.0	-16.07	322.82	7.34	-8.73
O=C(CCCC1=NN=N[N-]1)NC(C1CCCC1)C(F)(F)F	REAL000000007731	0	38	-1.0	-46.85	316.17	4.17	-42.68
O=C(CCCC1=N[N-]N=N1)NC(C1CCCC1)C(F)(F)F	REAL000000007731	1	38	-1.0	-46.84	316.11	4.17	-42.67
O=C(CCCC1=NNN=N1)NC(C1CCCC1)C(F)(F)F	REAL000000007731	1	39	0.0	-13.87	319.55	4.18	-9.68
O=C(NC(C1CCCC1)C(F)(F)F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007732	0	42	0.0	-15.34	344.01	7.33	-8.02
O=C(NC(C1CCCC1)C(F)(F)F)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007733	0	39	0.0	-8.30	326.58	4.29	-4.02
CC(SC1=CC=CC=C1)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL000000007734	0	46	-1.0	-49.39	388.73	8.64	-40.75
CC(SC1=CC=CC=C1)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL000000007734	1	46	-1.0	-49.38	388.67	8.64	-40.74
CC(SC1=CC=CC=C1)C1=CC=C(NC(=O)CCCC2=NNN=N2)C=C1	REAL000000007734	1	47	0.0	-16.05	392.11	8.65	-7.40
CC(SC1=CC=CC=C1)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL000000007735	0	43	-1.0	-40.58	367.23	7.89	-32.69
CC(SC1=CC=CC=C1)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL000000007735	1	43	-1.0	-40.57	367.18	7.88	-32.69
CC(SC1=CC=CC=C1)C1=CC=C(NC(=O)CCC2=NNN=N2)C=C1	REAL000000007735	1	44	0.0	-11.49	370.61	7.90	-3.59
NC(=O)CC1CCCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000007736	0	43	0.0	-27.86	337.99	3.39	-24.46
NC(=O)CC1CCCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000007737	0	40	0.0	-18.58	322.53	1.25	-17.32
NC(=O)CC1CCCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000007738	0	43	0.0	-27.86	337.99	3.39	-24.46
NC(=O)CC1CCCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000007739	0	40	0.0	-18.58	322.53	1.25	-17.32
CC(C)CNC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL000000007740	0	48	-1.0	-55.83	375.98	3.17	-52.66
CC(C)CNC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL000000007740	1	48	-1.0	-55.81	375.93	3.16	-52.65
CC(C)CNC(=O)C1(NC(=O)CCCC2=NNN=N2)CCCC1	REAL000000007740	1	49	0.0	-22.14	379.36	3.18	-18.96
CC(C)CNC(=O)C1(NC(=O)CCC2=NN=N[N-]2)CCCC1	REAL000000007741	0	45	-1.0	-45.10	354.86	2.33	-42.76
CC(C)CNC(=O)C1(NC(=O)CCC2=N[N-]N=N2)CCCC1	REAL000000007741	1	45	-1.0	-45.09	354.81	2.33	-42.76
CC(C)CNC(=O)C1(NC(=O)CCC2=NNN=N2)CCCC1	REAL000000007741	1	46	0.0	-16.91	358.24	2.34	-14.57
CC(C)CNC(=O)C1(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCCC1	REAL000000007742	0	49	0.0	-14.16	390.13	3.00	-11.16
O=C(CCCC1=NN=N[N-]1)NCC1=CSC(CNC(=O)C2=CC=CC=C2)=N1	REAL000000007743	0	45	-1.0	-52.92	402.18	2.64	-50.28
O=C(CCCC1=N[N-]N=N1)NCC1=CSC(CNC(=O)C2=CC=CC=C2)=N1	REAL000000007743	1	45	-1.0	-52.90	402.13	2.64	-50.26
O=C(CCCC1=NNN=N1)NCC1=CSC(CNC(=O)C2=CC=CC=C2)=N1	REAL000000007743	1	46	0.0	-20.55	405.56	2.65	-17.90
O=C(CCC1=NN=N[N-]1)NCC1=CSC(CNC(=O)C2=CC=CC=C2)=N1	REAL000000007744	0	42	-1.0	-45.09	380.68	1.86	-43.23
O=C(CCC1=N[N-]N=N1)NCC1=CSC(CNC(=O)C2=CC=CC=C2)=N1	REAL000000007744	1	42	-1.0	-45.09	380.63	1.85	-43.23
O=C(CCC1=NNN=N1)NCC1=CSC(CNC(=O)C2=CC=CC=C2)=N1	REAL000000007744	1	43	0.0	-16.33	384.06	1.87	-14.46
O=C(NC1=CC=C2CCCC(=O)C2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007745	0	42	0.0	-26.04	347.07	7.85	-18.18
O=C(NC1=CC=C2CCCC(=O)C2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007746	0	39	0.0	-17.64	332.23	4.75	-12.89
C[NH+](C)CCN(CC1=CC=CS1)C(=O)CCCC1=NN=N[N-]1	REAL000000007747	0	44	0.0	-69.67	362.25	6.83	-62.84
C[NH+](C)CCN(CC1=CC=CS1)C(=O)CCCC1=N[N-]N=N1	REAL000000007747	1	44	0.0	-69.66	362.19	6.83	-62.84
C[NH+](C)CCN(CC1=CC=CS1)C(=O)CCCC1=NNN=N1	REAL000000007747	1	45	1.0	-42.24	358.77	6.60	-35.64
C[NH+](C)CCN(CC1=CC=CS1)C(=O)CCC1=NN=N[N-]1	REAL000000007748	0	41	0.0	-66.41	340.75	6.04	-60.37
C[NH+](C)CCN(CC1=CC=CS1)C(=O)CCC1=N[N-]N=N1	REAL000000007748	1	41	0.0	-66.41	340.69	6.04	-60.37
C[NH+](C)CCN(CC1=CC=CS1)C(=O)CCC1=NNN=N1	REAL000000007748	1	42	1.0	-45.22	344.12	6.05	-39.17
C[NH+](C)CCN(CC1=CC=CS1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007749	0	48	1.0	-43.23	386.91	9.08	-34.14
C[NH+](C)CCN(CC1=CC=CS1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007750	0	45	1.0	-43.79	370.01	7.69	-36.09
CCC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCC1	REAL000000007751	0	42	0.0	-14.67	329.83	6.53	-8.15
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1C1=CC(F)=C(F)C(F)=C1	REAL000000007752	0	39	-1.0	-47.34	349.14	7.62	-39.71
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1C1=CC(F)=C(F)C(F)=C1	REAL000000007752	1	39	-1.0	-47.32	349.08	7.61	-39.71
O=C(CCCC1=NNN=N1)NC1=CC=CC=C1C1=CC(F)=C(F)C(F)=C1	REAL000000007752	1	40	0.0	-14.24	352.51	7.63	-6.61
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1C1=CC(F)=C(F)C(F)=C1	REAL000000007753	0	36	-1.0	-40.79	326.55	6.78	-34.02
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1C1=CC(F)=C(F)C(F)=C1	REAL000000007753	1	36	-1.0	-40.79	326.49	6.77	-34.02
O=C(CCC1=NNN=N1)NC1=CC=CC=C1C1=CC(F)=C(F)C(F)=C1	REAL000000007753	1	37	0.0	-10.69	329.92	6.78	-3.91
O=C(NC1=CC=CC=C1C1=CC(F)=C(F)C(F)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007754	0	40	0.0	-9.96	363.06	7.42	-2.54
CS(=O)(=O)CC1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL000000007755	0	38	-1.0	-59.67	328.34	0.37	-59.30
CS(=O)(=O)CC1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL000000007755	1	38	-1.0	-59.66	328.28	0.36	-59.30
CS(=O)(=O)CC1(CNC(=O)CCCC2=NNN=N2)CC1	REAL000000007755	1	39	0.0	-26.30	331.71	0.38	-25.92
CS(=O)(=O)CC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000007756	0	42	0.0	-29.63	359.66	2.96	-26.67
CS(=O)(=O)CC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000007757	0	39	0.0	-20.11	344.81	-0.03	-20.14
CNC(=O)CC1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000007758	0	46	0.0	-18.41	361.40	5.05	-13.36
CNC(=O)CC1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000007759	0	43	0.0	-13.57	344.33	2.76	-10.82
CC(C)(C)OC(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)C(C#N)C1	REAL000000007760	0	47	-1.0	-57.01	374.94	4.47	-52.53
CC(C)(C)OC(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)C(C#N)C1	REAL000000007760	1	47	-1.0	-56.99	374.89	4.48	-52.52
CC(C)(C)OC(=O)N1CCN(C(=O)CCCC2=NNN=N2)C(C#N)C1	REAL000000007760	1	48	0.0	-24.17	378.23	4.50	-19.68
CC(C)(C)OC(=O)N1CCN(C(=O)CCC2=NN=N[N-]2)C(C#N)C1	REAL000000007761	0	44	-1.0	-45.25	353.43	3.69	-41.56
CC(C)(C)OC(=O)N1CCN(C(=O)CCC2=N[N-]N=N2)C(C#N)C1	REAL000000007761	1	44	-1.0	-45.25	353.37	3.69	-41.56
CC(C)(C)OC(=O)N1CCN(C(=O)CCC2=NNN=N2)C(C#N)C1	REAL000000007761	1	45	0.0	-18.47	356.73	3.71	-14.76
CC(C)(C)OC(=O)N1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(C#N)C1	REAL000000007762	0	51	0.0	-24.36	400.28	6.85	-17.52
CC(C)(C)OC(=O)N1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C(C#N)C1	REAL000000007763	0	48	0.0	-15.04	389.98	5.09	-9.95
CCN(CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1)CC(F)(F)F	REAL000000007764	0	46	-1.0	-47.53	373.87	4.59	-42.94
CCN(CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1)CC(F)(F)F	REAL000000007764	1	46	-1.0	-47.52	373.82	4.59	-42.93
CCN(CC1CCN(C(=O)CCCC2=NNN=N2)C1)CC(F)(F)F	REAL000000007764	1	47	0.0	-14.04	377.25	4.60	-9.44
CCN(CC1CCN(C(=O)CCC2=NN=N[N-]2)C1)CC(F)(F)F	REAL000000007765	0	43	-1.0	-40.62	352.37	3.81	-36.81
CCN(CC1CCN(C(=O)CCC2=N[N-]N=N2)C1)CC(F)(F)F	REAL000000007765	1	43	-1.0	-40.62	352.32	3.81	-36.81
CCN(CC1CCN(C(=O)CCC2=NNN=N2)C1)CC(F)(F)F	REAL000000007765	1	44	0.0	-10.22	355.74	3.82	-6.40
CCN(CC1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1)CC(F)(F)F	REAL000000007766	0	50	0.0	-20.36	386.89	6.21	-14.15
CCN(CC1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1)CC(F)(F)F	REAL000000007767	0	47	0.0	-12.75	378.45	4.30	-8.45
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC2=CC=C(Cl)C=C21	REAL000000007768	0	37	0.0	-21.42	316.62	8.42	-13.00
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2=CC=C(Cl)C=C21	REAL000000007769	0	34	0.0	-12.00	304.58	6.28	-5.72
COC1=CC=C(C2=CSC(CNC(=O)CCCC3=NN=N[N-]3)=C2)C=C1	REAL000000007770	0	43	-1.0	-47.70	374.63	5.38	-42.32
COC1=CC=C(C2=CSC(CNC(=O)CCCC3=N[N-]N=N3)=C2)C=C1	REAL000000007770	1	43	-1.0	-47.68	374.58	5.38	-42.30
COC1=CC=C(C2=CSC(CNC(=O)CCCC3=NNN=N3)=C2)C=C1	REAL000000007770	1	44	0.0	-14.96	378.02	5.39	-9.58
COC1=CC=C(C2=CSC(CNC(=O)CCC3=NN=N[N-]3)=C2)C=C1	REAL000000007771	0	40	-1.0	-40.71	353.14	4.60	-36.11
COC1=CC=C(C2=CSC(CNC(=O)CCC3=N[N-]N=N3)=C2)C=C1	REAL000000007771	1	40	-1.0	-40.70	353.08	4.59	-36.10
COC1=CC=C(C2=CSC(CNC(=O)CCC3=NNN=N3)=C2)C=C1	REAL000000007771	1	41	0.0	-11.31	356.52	4.61	-6.71
COC1=CC=C(C2=CSC(CNC(=O)C3=CC=C(C4=NNN=N4)C=N3)=C2)C=C1	REAL000000007772	0	44	0.0	-10.57	388.61	5.17	-5.40
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCSC2(CCCCC2)C1	REAL000000007774	0	47	0.0	-13.77	352.74	9.04	-4.73
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCSC2(CCCCC2)C1	REAL000000007775	0	44	0.0	-8.11	339.77	6.55	-1.56
CC1=CC=CC=C1C(NC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL000000007776	0	47	-1.0	-45.85	351.39	6.39	-39.46
CC1=CC=CC=C1C(NC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL000000007776	1	47	-1.0	-45.84	351.34	6.39	-39.45
CC1=CC=CC=C1C(NC(=O)CCCC1=NNN=N1)C(C)(C)C	REAL000000007776	1	48	0.0	-12.30	354.77	6.40	-5.90
CC1=CC=CC=C1C(NC(=O)CCC1=NN=N[N-]1)C(C)(C)C	REAL000000007777	0	44	-1.0	-38.70	330.70	5.68	-33.02
CC1=CC=CC=C1C(NC(=O)CCC1=N[N-]N=N1)C(C)(C)C	REAL000000007777	1	44	-1.0	-38.69	330.64	5.67	-33.01
CC1=CC=CC=C1C(NC(=O)CCC1=NNN=N1)C(C)(C)C	REAL000000007777	1	45	0.0	-8.49	333.23	5.62	-2.87
CC1=CC=CC=C1C(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(C)(C)C	REAL000000007778	0	51	0.0	-14.03	380.40	9.20	-4.83
CC1=CC=CC=C1C(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(C)(C)C	REAL000000007779	0	48	0.0	-8.21	370.08	6.40	-1.81
CCCCCCOC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL000000007780	0	50	-1.0	-48.56	415.90	8.10	-40.46
CCCCCCOC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL000000007780	1	50	-1.0	-48.54	415.84	8.10	-40.44
CCCCCCOC(=O)C1=CC=C(NC(=O)CCCC2=NNN=N2)C=C1	REAL000000007780	1	51	0.0	-18.36	418.97	8.12	-10.24
CCCCCCOC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL000000007781	0	47	-1.0	-40.21	394.40	7.32	-32.89
CCCCCCOC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL000000007781	1	47	-1.0	-40.20	394.35	7.32	-32.88
CCCCCCOC(=O)C1=CC=C(NC(=O)CCC2=NNN=N2)C=C1	REAL000000007781	1	48	0.0	-12.77	397.78	7.33	-5.44
CCCCCCOC(=O)C1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000007782	0	51	0.0	-10.68	429.55	7.92	-2.76
CN(CC1=CC2=CC=CC=C2O1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007783	0	42	0.0	-22.95	351.65	8.62	-14.33
CN(CC1=CC2=CC=CC=C2O1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007784	0	39	0.0	-15.15	335.89	6.51	-8.63
CC(NC(=O)CCCC1=NN=N[N-]1)C1=C(F)C=CC=C1Cl	REAL000000007785	0	35	-1.0	-47.85	313.62	4.84	-43.01
CC(NC(=O)CCCC1=N[N-]N=N1)C1=C(F)C=CC=C1Cl	REAL000000007785	1	35	-1.0	-47.83	313.57	4.85	-42.99
CC(NC(=O)CCCC1=NNN=N1)C1=C(F)C=CC=C1Cl	REAL000000007785	1	36	0.0	-13.66	317.22	4.88	-8.78
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=C(F)C=CC=C1Cl	REAL000000007786	0	39	0.0	-15.82	341.60	7.69	-8.13
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=C(F)C=CC=C1Cl	REAL000000007787	0	36	0.0	-10.00	327.60	4.64	-5.36
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C(=O)OC2CCCC2)C=C1	REAL000000007788	0	45	-1.0	-51.58	373.98	6.96	-44.62
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C(=O)OC2CCCC2)C=C1	REAL000000007788	1	45	-1.0	-51.57	373.92	6.96	-44.61
O=C(CCCC1=NNN=N1)NC1=CC=C(C(=O)OC2CCCC2)C=C1	REAL000000007788	1	46	0.0	-18.84	377.36	6.98	-11.86
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C(=O)OC2CCCC2)C=C1	REAL000000007789	0	42	-1.0	-42.40	352.48	6.18	-36.22
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C(=O)OC2CCCC2)C=C1	REAL000000007789	1	42	-1.0	-42.40	352.43	6.18	-36.22
O=C(CCC1=NNN=N1)NC1=CC=C(C(=O)OC2CCCC2)C=C1	REAL000000007789	1	43	0.0	-14.37	355.86	6.19	-8.17
O=C(NC1=CC=C(C(=O)OC2CCCC2)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007790	0	49	0.0	-17.67	402.88	9.78	-7.89
O=C(NC1=CC=C(C(=O)OC2CCCC2)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007791	0	46	0.0	-11.10	387.95	6.75	-4.35
CC1C(CC2=CC=CC=C2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL000000007792	0	45	-1.0	-47.65	361.31	7.87	-39.78
CC1C(CC2=CC=CC=C2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL000000007792	1	45	-1.0	-47.64	361.25	7.87	-39.77
CC1C(CC2=CC=CC=C2)CCN1C(=O)CCCC1=NNN=N1	REAL000000007792	1	46	0.0	-14.14	359.39	7.73	-6.40
CC1C(CC2=CC=CC=C2)CCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007793	0	49	0.0	-17.99	375.17	9.88	-8.11
CC1C(CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007794	0	46	0.0	-9.77	366.67	7.98	-1.79
COC1=NC(=NNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)NC(C)=C1	REAL000000007795	0	40	0.0	-24.29	345.53	4.97	-19.32
COC1=NC(=NNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)[N-]C(C)=C1	REAL000000007795	1	39	-1.0	-55.81	342.25	4.53	-51.28
COC1=NC(=NNC(=O)C2=CC=C(C3=NNN=N3)C=N2)NC(C)=C1	REAL000000007796	0	37	0.0	-18.03	330.58	1.97	-16.06
COC1=NC(=NNC(=O)C2=CC=C(C3=NNN=N3)C=N2)[N-]C(C)=C1	REAL000000007796	1	36	-1.0	-47.94	327.29	1.53	-46.41
CCCCOC1CC(NC(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL000000007797	0	48	-1.0	-46.67	379.96	4.94	-41.74
CCCCOC1CC(NC(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL000000007797	1	48	-1.0	-46.66	379.90	4.94	-41.72
CCCCOC1CC(NC(=O)CCCC2=NNN=N2)C1(C)C	REAL000000007797	1	49	0.0	-12.51	383.50	4.80	-7.71
CCCCOC1CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1(C)C	REAL000000007798	0	52	0.0	-17.63	407.48	7.73	-9.91
CCCCOC1CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C1(C)C	REAL000000007799	0	49	0.0	-8.24	393.93	4.76	-3.48
CN(CC(O)CN1CCOCC1)C(=O)CCCC1=NN=N[N-]1	REAL000000007800	0	45	-1.0	-50.61	355.71	-1.25	-51.85
CN(CC(O)CN1CCOCC1)C(=O)CCCC1=N[N-]N=N1	REAL000000007800	1	45	-1.0	-50.60	355.65	-1.26	-51.86
CN(CC(O)CN1CCOCC1)C(=O)CCCC1=NNN=N1	REAL000000007800	1	46	0.0	-14.71	358.57	-0.59	-15.30
CN(CC(O)CN1CCOCC1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007801	0	49	0.0	-19.24	383.46	1.14	-18.10
CN(CC(O)CN1CCOCC1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007802	0	46	0.0	-12.43	366.84	-0.74	-13.17
O=C(CCCC1=NN=N[N-]1)NC1CCN(CCCC2=CC=CC=C2)C1=O	REAL000000007803	0	49	-1.0	-62.41	407.43	6.13	-56.28
O=C(CCCC1=N[N-]N=N1)NC1CCN(CCCC2=CC=CC=C2)C1=O	REAL000000007803	1	49	-1.0	-62.37	407.37	6.13	-56.24
O=C(CCCC1=NNN=N1)NC1CCN(CCCC2=CC=CC=C2)C1=O	REAL000000007803	1	50	0.0	-26.55	410.81	6.14	-20.41
O=C(CCC1=NN=N[N-]1)NC1CCN(CCCC2=CC=CC=C2)C1=O	REAL000000007804	0	46	-1.0	-53.11	385.93	5.35	-47.76
O=C(CCC1=N[N-]N=N1)NC1CCN(CCCC2=CC=CC=C2)C1=O	REAL000000007804	1	46	-1.0	-53.11	385.87	5.35	-47.76
O=C(CCC1=NNN=N1)NC1CCN(CCCC2=CC=CC=C2)C1=O	REAL000000007804	1	47	0.0	-21.20	389.31	5.36	-15.84
O=C(NC1CCN(CCCC2=CC=CC=C2)C1=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007805	0	50	0.0	-20.40	421.38	5.92	-14.48
COC1CCC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000007806	0	46	0.0	-16.75	360.53	5.87	-10.89
COC1CCC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000007807	0	43	0.0	-9.47	345.58	2.84	-6.63
CCC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=NOC(C)=N1	REAL000000007808	0	40	0.0	-15.46	333.64	3.11	-12.35
CCC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=NOC(C)=N1	REAL000000007809	0	37	0.0	-10.75	318.70	0.08	-10.67
O=C(NC1(C2=CC=C(F)C=C2)CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007810	0	40	0.0	-16.36	338.69	7.98	-8.38
O=C(NC1(C2=CC=C(F)C=C2)CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007811	0	37	0.0	-9.96	327.04	4.57	-5.39
CC(C)(C)N1CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1=O	REAL000000007812	0	46	0.0	-20.61	364.84	5.57	-15.04
CC(C)(C)N1CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1=O	REAL000000007813	0	43	0.0	-13.22	350.60	2.51	-10.71
O=C(CCCC1=NN=N[N-]1)NCCN1C(=O)NC2=CC=CC=C21	REAL000000007814	0	39	-1.0	-55.83	337.60	2.64	-53.19
O=C(CCCC1=N[N-]N=N1)NCCN1C(=O)NC2=CC=CC=C21	REAL000000007814	1	39	-1.0	-55.82	337.55	2.64	-53.18
O=C(CCCC1=NNN=N1)NCCN1C(=O)NC2=CC=CC=C21	REAL000000007814	1	40	0.0	-22.49	340.99	2.65	-19.84
O=C(CCC1=NN=N[N-]1)NCCN1C(=O)NC2=CC=CC=C21	REAL000000007815	0	36	-1.0	-47.45	316.11	1.85	-45.60
O=C(CCC1=N[N-]N=N1)NCCN1C(=O)NC2=CC=CC=C21	REAL000000007815	1	36	-1.0	-47.44	316.05	1.85	-45.59
O=C(CCC1=NNN=N1)NCCN1C(=O)NC2=CC=CC=C21	REAL000000007815	1	37	0.0	-17.85	319.49	1.86	-15.98
O=C(NCCN1C(=O)NC2=CC=CC=C21)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007816	0	43	0.0	-23.76	366.14	5.50	-18.26
O=C(NCCN1C(=O)NC2=CC=CC=C21)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007817	0	40	0.0	-16.35	351.58	2.44	-13.91
CN(C(=O)CCCC1=NN=N[N-]1)C(C1=CC=C(Cl)C=C1)C1=CN=CC=N1	REAL000000007818	0	43	-1.0	-48.55	370.01	6.23	-42.32
CN(C(=O)CCCC1=N[N-]N=N1)C(C1=CC=C(Cl)C=C1)C1=CN=CC=N1	REAL000000007818	1	43	-1.0	-48.53	369.95	6.22	-42.31
CN(C(=O)CCCC1=NNN=N1)C(C1=CC=C(Cl)C=C1)C1=CN=CC=N1	REAL000000007818	1	44	0.0	-16.24	376.47	5.66	-10.58
CN(C(=O)CCC1=NN=N[N-]1)C(C1=CC=C(Cl)C=C1)C1=CN=CC=N1	REAL000000007819	0	40	-1.0	-42.30	351.58	4.87	-37.43
CN(C(=O)CCC1=N[N-]N=N1)C(C1=CC=C(Cl)C=C1)C1=CN=CC=N1	REAL000000007819	1	40	-1.0	-42.31	351.53	4.86	-37.44
CN(C(=O)CCC1=NNN=N1)C(C1=CC=C(Cl)C=C1)C1=CN=CC=N1	REAL000000007819	1	41	0.0	-11.08	352.49	5.95	-5.13
CCOC1=CC=C(C(=O)N2CCCCC2)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000007820	0	53	-1.0	-61.53	416.90	5.66	-55.87
CCOC1=CC=C(C(=O)N2CCCCC2)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000007820	1	53	-1.0	-61.52	416.84	5.65	-55.87
CCOC1=CC=C(C(=O)N2CCCCC2)C=C1NC(=O)CCCC1=NNN=N1	REAL000000007820	1	54	0.0	-24.07	420.27	5.67	-18.40
CCOC1=CC=C(C(=O)N2CCCCC2)C=C1NC(=O)CCC1=NN=N[N-]1	REAL000000007821	0	50	-1.0	-50.81	397.27	4.90	-45.91
CCOC1=CC=C(C(=O)N2CCCCC2)C=C1NC(=O)CCC1=N[N-]N=N1	REAL000000007821	1	50	-1.0	-50.79	397.21	4.89	-45.91
CCOC1=CC=C(C(=O)N2CCCCC2)C=C1NC(=O)CCC1=NNN=N1	REAL000000007821	1	51	0.0	-18.17	400.65	4.91	-13.26
CC(C)(C)OC(=O)NC1=CC2=C(C=C1NC(=O)CCCC1=NN=N[N-]1)OCO2	REAL000000007822	0	49	-1.0	-51.34	397.43	2.58	-48.76
CC(C)(C)OC(=O)NC1=CC2=C(C=C1NC(=O)CCCC1=N[N-]N=N1)OCO2	REAL000000007822	1	49	-1.0	-51.33	397.37	2.57	-48.75
CC(C)(C)OC(=O)NC1=CC2=C(C=C1NC(=O)CCCC1=NNN=N1)OCO2	REAL000000007822	1	50	0.0	-19.66	400.81	2.60	-17.07
CC(C)(C)OC(=O)NC1=CC2=C(C=C1NC(=O)CCC1=NN=N[N-]1)OCO2	REAL000000007823	0	46	-1.0	-42.60	375.93	1.80	-40.80
CC(C)(C)OC(=O)NC1=CC2=C(C=C1NC(=O)CCC1=N[N-]N=N1)OCO2	REAL000000007823	1	46	-1.0	-42.59	375.88	1.80	-40.79
CC(C)(C)OC(=O)NC1=CC2=C(C=C1NC(=O)CCC1=NNN=N1)OCO2	REAL000000007823	1	47	0.0	-15.48	379.31	1.81	-13.67
CC1=CN=C(C(C)NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)S1	REAL000000007824	0	38	0.0	-13.70	334.81	5.12	-8.58
CC1=CN=C(C(C)NC(=O)C2=CC=C(C3=NNN=N3)C=N2)S1	REAL000000007825	0	35	0.0	-8.89	319.88	2.09	-6.80
CC1=CC(C(NC(=O)CCCC2=NN=N[N-]2)C2=CC(C)=CC=C2)=CC=C1	REAL000000007826	0	48	-1.0	-49.12	396.89	8.87	-40.25
CC1=CC(C(NC(=O)CCCC2=N[N-]N=N2)C2=CC(C)=CC=C2)=CC=C1	REAL000000007826	1	48	-1.0	-49.11	396.84	8.86	-40.24
CC1=CC(C(NC(=O)CCCC2=NNN=N2)C2=CC(C)=CC=C2)=CC=C1	REAL000000007826	1	49	0.0	-15.55	400.23	8.88	-6.67
CC1=CC(C(NC(=O)CCC2=NN=N[N-]2)C2=CC(C)=CC=C2)=CC=C1	REAL000000007827	0	45	-1.0	-41.07	375.40	8.09	-32.98
CC1=CC(C(NC(=O)CCC2=N[N-]N=N2)C2=CC(C)=CC=C2)=CC=C1	REAL000000007827	1	45	-1.0	-41.07	375.34	8.08	-32.99
CC1=CC(C(NC(=O)CCC2=NNN=N2)C2=CC(C)=CC=C2)=CC=C1	REAL000000007827	1	46	0.0	-11.22	378.82	8.10	-3.11
CC1=CC(C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C2=CC(C)=CC=C2)=CC=C1	REAL000000007828	0	52	0.0	-17.23	425.43	11.73	-5.50
CC1=CC(C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C2=CC(C)=CC=C2)=CC=C1	REAL000000007829	0	49	0.0	-10.19	410.89	8.67	-1.52
O=C(CCCC1=NN=N[N-]1)N(CCC1=CC=CC=C1)C1CCOC1	REAL000000007830	0	46	-1.0	-48.22	362.80	6.26	-41.96
O=C(CCCC1=N[N-]N=N1)N(CCC1=CC=CC=C1)C1CCOC1	REAL000000007830	1	46	-1.0	-48.20	362.74	6.25	-41.95
O=C(CCCC1=NNN=N1)N(CCC1=CC=CC=C1)C1CCOC1	REAL000000007830	1	47	0.0	-14.96	366.18	6.27	-8.69
O=C(CCC1=NN=N[N-]1)N(CCC1=CC=CC=C1)C1CCOC1	REAL000000007831	0	43	-1.0	-39.76	339.28	5.38	-34.38
O=C(CCC1=N[N-]N=N1)N(CCC1=CC=CC=C1)C1CCOC1	REAL000000007831	1	43	-1.0	-39.76	339.23	5.38	-34.38
O=C(CCC1=NNN=N1)N(CCC1=CC=CC=C1)C1CCOC1	REAL000000007831	1	44	0.0	-12.06	350.15	6.02	-6.04
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N(CCC1=CC=CC=C1)C1CCOC1	REAL000000007832	0	50	0.0	-18.25	386.47	8.09	-10.16
O=C(C1=CC=C(C2=NNN=N2)C=N1)N(CCC1=CC=CC=C1)C1CCOC1	REAL000000007833	0	47	0.0	-9.41	368.92	6.94	-2.47
COC1=CC=C(Cl)C=C1NC(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL000000007834	0	43	-1.0	-58.52	378.88	2.44	-56.08
COC1=CC=C(Cl)C=C1NC(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL000000007834	1	43	-1.0	-58.51	378.82	2.44	-56.07
COC1=CC=C(Cl)C=C1NC(=O)CCNC(=O)CCCC1=NNN=N1	REAL000000007834	1	44	0.0	-24.45	382.26	2.45	-22.00
COC1=CC=C(Cl)C=C1NC(=O)CCNC(=O)CCC1=NN=N[N-]1	REAL000000007835	0	40	-1.0	-48.90	357.38	1.66	-47.25
COC1=CC=C(Cl)C=C1NC(=O)CCNC(=O)CCC1=N[N-]N=N1	REAL000000007835	1	40	-1.0	-48.90	357.32	1.65	-47.25
COC1=CC=C(Cl)C=C1NC(=O)CCNC(=O)CCC1=NNN=N1	REAL000000007835	1	41	0.0	-19.63	360.76	1.67	-17.96
CC1C2=CC=CC=C2CCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007836	0	43	0.0	-12.48	340.03	8.86	-3.62
CC1C2=CC=CC=C2CCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007837	0	40	0.0	-9.46	324.85	6.81	-2.65
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2N=C(C3CC3)OC2=C1	REAL000000007838	0	38	-1.0	-50.42	327.88	2.78	-47.64
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2N=C(C3CC3)OC2=C1	REAL000000007838	1	38	-1.0	-50.40	327.82	2.77	-47.63
O=C(CCCC1=NNN=N1)NC1=CC=C2N=C(C3CC3)OC2=C1	REAL000000007838	1	39	0.0	-18.20	331.26	2.79	-15.40
O=C(NC1=CC=C2N=C(C3CC3)OC2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007839	0	42	0.0	-18.61	357.08	5.58	-13.03
O=C(NC1=CC=C2N=C(C3CC3)OC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007840	0	39	0.0	-14.14	342.17	2.56	-11.58
CS(=O)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL000000007841	0	37	-1.0	-56.77	331.35	2.06	-54.71
CS(=O)C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL000000007841	1	37	-1.0	-56.77	331.29	2.05	-54.71
CS(=O)C1=CC=C(CNC(=O)CCCC2=NNN=N2)C=C1	REAL000000007841	1	38	0.0	-23.65	334.73	2.07	-21.57
CS(=O)C1=CC=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000007842	0	41	0.0	-25.25	359.89	4.92	-20.33
CS(=O)C1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000007843	0	38	0.0	-19.47	345.33	1.86	-17.61
CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)CCCC1=NN=N[N-]1	REAL000000007844	0	54	-1.0	-50.65	407.87	4.55	-46.10
CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)CCCC1=N[N-]N=N1	REAL000000007844	1	54	-1.0	-50.63	407.81	4.55	-46.09
CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)CCCC1=NNN=N1	REAL000000007844	1	55	0.0	-16.91	411.24	4.56	-12.35
CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)CCC1=NN=N[N-]1	REAL000000007845	0	51	-1.0	-42.73	386.37	3.77	-38.96
CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)CCC1=N[N-]N=N1	REAL000000007845	1	51	-1.0	-42.72	386.31	3.77	-38.96
CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)CCC1=NNN=N1	REAL000000007845	1	52	0.0	-12.92	389.77	3.78	-9.15
CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007846	0	55	0.0	-12.11	419.38	4.94	-7.17
O=C(NCC1(O)CCSC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007847	0	38	0.0	-17.35	320.22	2.91	-14.44
O=C(NCC1(O)CCSC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007848	0	35	0.0	-10.30	305.67	-0.16	-10.45
COCC1=NC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2O1	REAL000000007849	0	38	-1.0	-57.95	330.74	0.07	-57.88
COCC1=NC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2O1	REAL000000007849	1	38	-1.0	-57.93	330.68	0.06	-57.87
COCC1=NC2=CC(NC(=O)CCCC3=NNN=N3)=CC=C2O1	REAL000000007849	1	39	0.0	-23.94	334.12	0.08	-23.86
COCC1=NC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C2O1	REAL000000007850	0	35	-1.0	-48.71	309.26	-0.71	-49.42
COCC1=NC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C2O1	REAL000000007850	1	35	-1.0	-48.70	309.20	-0.72	-49.42
COCC1=NC2=CC(NC(=O)CCC3=NNN=N3)=CC=C2O1	REAL000000007850	1	36	0.0	-19.46	312.34	-0.69	-20.15
COCC1=NC2=CC(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=CC=C2O1	REAL000000007851	0	42	0.0	-25.79	359.01	2.94	-22.84
COCC1=NC2=CC(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=CC=C2O1	REAL000000007852	0	39	0.0	-12.98	344.71	-0.14	-13.12
CCC(CNC(=O)CCCC1=NN=N[N-]1)OC1=CC=CC(C(F)(F)F)=C1	REAL000000007853	0	45	-1.0	-48.50	380.23	5.30	-43.20
CCC(CNC(=O)CCCC1=N[N-]N=N1)OC1=CC=CC(C(F)(F)F)=C1	REAL000000007853	1	45	-1.0	-48.48	380.17	5.29	-43.19
CCC(CNC(=O)CCCC1=NNN=N1)OC1=CC=CC(C(F)(F)F)=C1	REAL000000007853	1	46	0.0	-15.42	383.60	5.31	-10.11
CCC(CNC(=O)CCC1=NN=N[N-]1)OC1=CC=CC(C(F)(F)F)=C1	REAL000000007854	0	42	-1.0	-41.91	358.73	4.51	-37.39
CCC(CNC(=O)CCC1=N[N-]N=N1)OC1=CC=CC(C(F)(F)F)=C1	REAL000000007854	1	42	-1.0	-41.89	358.67	4.51	-37.38
CCC(CNC(=O)CCC1=NNN=N1)OC1=CC=CC(C(F)(F)F)=C1	REAL000000007854	1	43	0.0	-12.06	362.80	4.50	-7.56
COC1=CC=CC(C(NC(=O)CCCC2=NN=N[N-]2)C2=CC(F)=CC=C2OC)=C1	REAL000000007855	0	50	-1.0	-52.42	418.93	6.52	-45.91
COC1=CC=CC(C(NC(=O)CCCC2=N[N-]N=N2)C2=CC(F)=CC=C2OC)=C1	REAL000000007855	1	50	-1.0	-52.41	418.88	6.51	-45.91
COC1=CC=CC(C(NC(=O)CCCC2=NNN=N2)C2=CC(F)=CC=C2OC)=C1	REAL000000007855	1	51	0.0	-18.43	420.96	6.59	-11.84
COC1=CC=CC(C(NC(=O)CCC2=NN=N[N-]2)C2=CC(F)=CC=C2OC)=C1	REAL000000007856	0	47	-1.0	-44.52	396.11	5.80	-38.72
COC1=CC=CC(C(NC(=O)CCC2=N[N-]N=N2)C2=CC(F)=CC=C2OC)=C1	REAL000000007856	1	47	-1.0	-44.51	396.05	5.80	-38.71
COC1=CC=CC(C(NC(=O)CCC2=NNN=N2)C2=CC(F)=CC=C2OC)=C1	REAL000000007856	1	48	0.0	-14.16	399.49	5.81	-8.35
CN(CC1=NC=CS1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007857	0	35	0.0	-10.94	308.55	5.25	-5.69
CN(CC1=NC=CS1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007858	0	32	0.0	-9.48	292.81	3.14	-6.34
CCCOC1=CC=CC=C1C(CC(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL000000007859	0	54	-1.0	-47.98	416.04	7.36	-40.62
CCCOC1=CC=CC=C1C(CC(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL000000007859	1	54	-1.0	-47.97	415.99	7.36	-40.60
CCCOC1=CC=CC=C1C(CC(C)C)NC(=O)CCCC1=NNN=N1	REAL000000007859	1	55	0.0	-14.65	416.34	7.56	-7.10
CCCOC1=CC=CC=C1C(CC(C)C)NC(=O)CCC1=NN=N[N-]1	REAL000000007860	0	51	-1.0	-41.82	407.43	7.34	-34.48
CCCOC1=CC=CC=C1C(CC(C)C)NC(=O)CCC1=N[N-]N=N1	REAL000000007860	1	51	-1.0	-41.82	407.37	7.33	-34.49
CCCOC1=CC=CC=C1C(CC(C)C)NC(=O)CCC1=NNN=N1	REAL000000007860	1	52	0.0	-11.60	407.04	8.10	-3.50
CCCOC1=CC=CC=C1C(CC(C)C)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007861	0	55	0.0	-9.02	430.02	7.16	-1.86
CCOC1=CC=CC=C1C(CC(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL000000007862	0	51	-1.0	-48.14	394.55	6.55	-41.58
CCOC1=CC=CC=C1C(CC(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL000000007862	1	51	-1.0	-48.13	394.49	6.55	-41.58
CCOC1=CC=CC=C1C(CC(C)C)NC(=O)CCCC1=NNN=N1	REAL000000007862	1	52	0.0	-14.71	393.41	6.69	-8.02
CCOC1=CC=CC=C1C(CC(C)C)NC(=O)CCC1=NN=N[N-]1	REAL000000007863	0	48	-1.0	-42.00	385.93	6.53	-35.47
CCOC1=CC=CC=C1C(CC(C)C)NC(=O)CCC1=N[N-]N=N1	REAL000000007863	1	48	-1.0	-42.00	385.87	6.52	-35.48
CCOC1=CC=CC=C1C(CC(C)C)NC(=O)CCC1=NNN=N1	REAL000000007863	1	49	0.0	-11.95	389.31	6.54	-5.41
CCOC1=CC=CC=C1C(CC(C)C)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007864	0	55	0.0	-17.94	432.78	10.89	-7.05
CCOC1=CC=CC=C1C(CC(C)C)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007865	0	52	0.0	-9.70	404.05	6.47	-3.22
CC(C1=CC=C(S(C)=O)C=C1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL000000007866	0	43	-1.0	-60.22	359.29	4.62	-55.60
CC(C1=CC=C(S(C)=O)C=C1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL000000007866	1	43	-1.0	-60.19	359.23	4.62	-55.57
CC(C1=CC=C(S(C)=O)C=C1)N(C)C(=O)CCCC1=NNN=N1	REAL000000007866	1	44	0.0	-27.96	362.67	4.63	-23.33
CC(C1=CC=C(S(C)=O)C=C1)N(C)C(=O)CCC1=NN=N[N-]1	REAL000000007867	0	40	-1.0	-49.74	337.79	3.84	-45.90
CC(C1=CC=C(S(C)=O)C=C1)N(C)C(=O)CCC1=N[N-]N=N1	REAL000000007867	1	40	-1.0	-49.74	337.73	3.84	-45.90
CC(C1=CC=C(S(C)=O)C=C1)N(C)C(=O)CCC1=NNN=N1	REAL000000007867	1	41	0.0	-22.84	341.17	3.85	-18.99
CC(C1=CC=C(S(C)=O)C=C1)N(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007868	0	47	0.0	-19.79	385.89	7.62	-12.16
CC(C1=CC=C(S(C)=O)C=C1)N(C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007869	0	44	0.0	-18.93	369.45	4.75	-14.18
CC(C)(C)OC(=O)C1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL000000007870	0	45	-1.0	-49.72	358.65	4.66	-45.06
CC(C)(C)OC(=O)C1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL000000007870	1	45	-1.0	-49.70	358.59	4.65	-45.05
CC(C)(C)OC(=O)C1CN(C(=O)CCCC2=NNN=N2)CCO1	REAL000000007870	1	46	0.0	-17.96	362.03	4.67	-13.29
CC(C)(C)OC(=O)C1CN(C(=O)CCC2=NN=N[N-]2)CCO1	REAL000000007871	0	42	-1.0	-40.84	337.22	3.90	-36.94
CC(C)(C)OC(=O)C1CN(C(=O)CCC2=N[N-]N=N2)CCO1	REAL000000007871	1	42	-1.0	-40.84	337.16	3.89	-36.95
CC(C)(C)OC(=O)C1CN(C(=O)CCC2=NNN=N2)CCO1	REAL000000007871	1	43	0.0	-13.43	340.56	3.89	-9.54
CC(C)(C)OC(=O)C1CN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCO1	REAL000000007872	0	49	0.0	-17.59	386.26	7.09	-10.50
CC(C)(C)OC(=O)C1CN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CCO1	REAL000000007873	0	46	0.0	-12.07	369.68	4.90	-7.17
CCOC(CCNC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL000000007874	0	48	-1.0	-47.24	375.53	4.77	-42.47
CCOC(CCNC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL000000007874	1	48	-1.0	-47.23	375.48	4.77	-42.45
CCOC(CCNC(=O)CCCC1=NNN=N1)C1CCCC1	REAL000000007874	1	49	0.0	-13.96	378.91	4.78	-9.17
CCOC(CCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CCCC1	REAL000000007875	0	52	0.0	-15.92	404.14	7.57	-8.35
CCOC(CCNC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCCC1	REAL000000007876	0	49	0.0	-8.98	389.51	4.57	-4.41
CCCCC1=CC=C(N(C)C(=O)CCCC2=NN=N[N-]2)C=C1	REAL000000007877	0	44	-1.0	-48.24	361.04	8.10	-40.14
CCCCC1=CC=C(N(C)C(=O)CCCC2=N[N-]N=N2)C=C1	REAL000000007877	1	44	-1.0	-48.23	360.99	8.11	-40.12
CCCCC1=CC=C(N(C)C(=O)CCCC2=NNN=N2)C=C1	REAL000000007877	1	45	0.0	-14.86	364.48	8.12	-6.74
CCCCC1=CC=C(N(C)C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000007878	0	48	0.0	-16.97	378.11	10.15	-6.82
CCCCC1=CC=C(N(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000007879	0	45	0.0	-9.36	362.50	8.11	-1.24
CCOCC1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000007880	0	43	0.0	-19.63	342.35	5.81	-13.82
CCOCC1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000007881	0	40	0.0	-11.19	329.71	3.68	-7.51
COC(=O)C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL000000007882	0	41	-1.0	-50.00	362.77	5.40	-44.60
COC(=O)C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL000000007882	1	41	-1.0	-49.99	362.71	5.39	-44.60
COC(=O)C[C@H](NC(=O)CCCC1=NNN=N1)C1=CC=C(Cl)C=C1	REAL000000007882	1	42	0.0	-18.91	373.01	6.03	-12.87
COC(=O)C[C@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL000000007883	0	38	-1.0	-41.27	341.27	4.62	-36.65
COC(=O)C[C@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL000000007883	1	38	-1.0	-41.27	341.21	4.61	-36.66
COC(=O)C[C@H](NC(=O)CCC1=NNN=N1)C1=CC=C(Cl)C=C1	REAL000000007883	1	39	0.0	-14.57	351.60	5.29	-9.28
COC(=O)C[C@H](NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=C(Cl)C=C1	REAL000000007884	0	42	0.0	-11.40	376.76	5.19	-6.21
COC1=CC(N2CCC(N(C)C(=O)CCCC3=NN=N[N-]3)C2=O)=CC(OC)=C1	REAL000000007885	0	51	-1.0	-59.57	405.70	4.40	-55.16
COC1=CC(N2CCC(N(C)C(=O)CCCC3=N[N-]N=N3)C2=O)=CC(OC)=C1	REAL000000007885	1	51	-1.0	-59.56	405.64	4.39	-55.17
COC1=CC(N2CCC(N(C)C(=O)CCCC3=NNN=N3)C2=O)=CC(OC)=C1	REAL000000007885	1	52	0.0	-25.57	409.07	4.41	-21.16
COC1=CC(N2CCC(N(C)C(=O)CCC3=NN=N[N-]3)C2=O)=CC(OC)=C1	REAL000000007886	0	48	-1.0	-51.08	385.79	3.54	-47.55
COC1=CC(N2CCC(N(C)C(=O)CCC3=N[N-]N=N3)C2=O)=CC(OC)=C1	REAL000000007886	1	48	-1.0	-51.08	385.73	3.53	-47.55
COC1=CC(N2CCC(N(C)C(=O)CCC3=NNN=N3)C2=O)=CC(OC)=C1	REAL000000007886	1	49	0.0	-21.38	386.38	3.44	-17.94
COC1=CC(OC)=CC(N2CCC(NC(=O)CCCC3=NN=N[N-]3)C2=O)=C1	REAL000000007887	0	48	-1.0	-64.99	393.74	2.56	-62.43
COC1=CC(OC)=CC(N2CCC(NC(=O)CCCC3=N[N-]N=N3)C2=O)=C1	REAL000000007887	1	48	-1.0	-64.98	393.69	2.56	-62.42
COC1=CC(OC)=CC(N2CCC(NC(=O)CCCC3=NNN=N3)C2=O)=C1	REAL000000007887	1	49	0.0	-29.30	397.12	2.58	-26.72
COC1=CC(OC)=CC(N2CCC(NC(=O)CCC3=NN=N[N-]3)C2=O)=C1	REAL000000007888	0	45	-1.0	-55.18	371.73	1.79	-53.39
COC1=CC(OC)=CC(N2CCC(NC(=O)CCC3=N[N-]N=N3)C2=O)=C1	REAL000000007888	1	45	-1.0	-55.16	371.67	1.79	-53.37
COC1=CC(OC)=CC(N2CCC(NC(=O)CCC3=NNN=N3)C2=O)=C1	REAL000000007888	1	46	0.0	-23.19	375.28	1.80	-21.39
CC1(C)C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1(C)C	REAL000000007889	0	42	0.0	-14.97	331.24	7.01	-7.96
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NOC(CC2=CC=CC=C2)=N1	REAL000000007890	0	43	-1.0	-48.34	372.28	3.43	-44.90
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NOC(CC2=CC=CC=C2)=N1	REAL000000007890	1	43	-1.0	-48.33	372.22	3.43	-44.90
CC(NC(=O)CCCC1=NNN=N1)C1=NOC(CC2=CC=CC=C2)=N1	REAL000000007890	1	44	0.0	-15.05	375.66	3.44	-11.61
CC(NC(=O)CCC1=NN=N[N-]1)C1=NOC(CC2=CC=CC=C2)=N1	REAL000000007891	0	40	-1.0	-41.34	350.78	2.66	-38.68
CC(NC(=O)CCC1=N[N-]N=N1)C1=NOC(CC2=CC=CC=C2)=N1	REAL000000007891	1	40	-1.0	-41.34	350.73	2.65	-38.69
CC(NC(=O)CCC1=NNN=N1)C1=NOC(CC2=CC=CC=C2)=N1	REAL000000007891	1	41	0.0	-11.54	354.16	2.66	-8.88
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=NOC(CC2=CC=CC=C2)=N1	REAL000000007892	0	47	0.0	-16.34	400.79	6.29	-10.05
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=NOC(CC2=CC=CC=C2)=N1	REAL000000007893	0	44	0.0	-11.38	386.25	3.23	-8.15
CC1=CN=C(C(C)(C)NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)S1	REAL000000007894	0	41	0.0	-13.10	345.85	5.45	-7.65
CC1=CN=C(C(C)(C)NC(=O)C2=CC=C(C3=NNN=N3)C=N2)S1	REAL000000007895	0	38	0.0	-8.75	331.32	2.38	-6.37
O=C(CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)OC1CCCCC1	REAL000000007896	0	45	0.0	-13.31	364.83	7.02	-6.29
O=C(CNC(=O)C1=CC=C(C2=NNN=N2)C=N1)OC1CCCCC1	REAL000000007897	0	42	0.0	-9.20	350.28	3.95	-5.25
CNC(=O)C(C)CN(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007898	0	42	0.0	-20.98	337.93	3.82	-17.16
CNC(=O)C(C)CN(C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007899	0	39	0.0	-13.33	320.48	1.84	-11.49
O=C(CCCC1=NN=N[N-]1)NNC(=O)CC1=CN2C=CC=CC2=N1	REAL000000007900	0	39	-1.0	-57.10	342.68	3.54	-53.56
O=C(CCCC1=N[N-]N=N1)NNC(=O)CC1=CN2C=CC=CC2=N1	REAL000000007900	1	39	-1.0	-57.09	342.62	3.54	-53.55
O=C(CCCC1=NNN=N1)NNC(=O)CC1=CN2C=CC=CC2=N1	REAL000000007900	1	40	0.0	-24.52	346.05	3.55	-20.97
O=C(CCC1=NN=N[N-]1)NNC(=O)CC1=CN2C=CC=CC2=N1	REAL000000007901	0	36	-1.0	-51.74	321.18	2.76	-48.98
O=C(CCC1=N[N-]N=N1)NNC(=O)CC1=CN2C=CC=CC2=N1	REAL000000007901	1	36	-1.0	-51.74	321.12	2.75	-48.99
O=C(CCC1=NNN=N1)NNC(=O)CC1=CN2C=CC=CC2=N1	REAL000000007901	1	37	0.0	-21.42	324.56	2.77	-18.65
O=C(CC1=CN2C=CC=CC2=N1)N[N-]C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007902	0	39	-1.0	-62.16	355.15	2.49	-59.67
CCOC(=O)CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1C	REAL000000007903	0	47	-1.0	-52.64	389.03	7.24	-45.40
CCOC(=O)CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1C	REAL000000007903	1	47	-1.0	-52.63	388.97	7.23	-45.40
CCOC(=O)CC(NC(=O)CCCC1=NNN=N1)C1=CC=CC=C1C	REAL000000007903	1	48	0.0	-17.93	392.40	7.25	-10.68
CCOC(=O)CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1C	REAL000000007904	0	44	-1.0	-45.46	367.53	6.45	-39.01
CCOC(=O)CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1C	REAL000000007904	1	44	-1.0	-45.46	367.47	6.45	-39.01
CCOC(=O)CC(NC(=O)CCC1=NNN=N1)C1=CC=CC=C1C	REAL000000007904	1	45	0.0	-13.65	370.91	6.46	-7.18
CCOC(=O)CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC=C1C	REAL000000007905	0	51	0.0	-20.28	417.56	10.10	-10.18
CCOC(=O)CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC=C1C	REAL000000007906	0	48	0.0	-13.33	403.46	6.99	-6.34
CN1CCN(C(=O)CC2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2)CC1	REAL000000007907	0	51	-1.0	-54.17	409.86	3.83	-50.34
CN1CCN(C(=O)CC2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2)CC1	REAL000000007908	0	48	-1.0	-46.49	388.11	3.06	-43.43
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(SC2=CC=C(Cl)C=C2)=C1	REAL000000007909	0	40	-1.0	-47.09	370.37	7.98	-39.11
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(SC2=CC=C(Cl)C=C2)=C1	REAL000000007909	1	40	-1.0	-47.08	370.32	7.99	-39.10
O=C(CCCC1=NNN=N1)NC1=CC=CC(SC2=CC=C(Cl)C=C2)=C1	REAL000000007909	1	41	0.0	-14.41	373.75	7.99	-6.42
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(SC2=CC=C(Cl)C=C2)=C1	REAL000000007910	0	37	-1.0	-39.16	348.88	7.20	-31.95
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(SC2=CC=C(Cl)C=C2)=C1	REAL000000007910	1	37	-1.0	-39.16	348.82	7.21	-31.95
O=C(CCC1=NNN=N1)NC1=CC=CC(SC2=CC=C(Cl)C=C2)=C1	REAL000000007910	1	38	0.0	-10.44	352.25	7.21	-3.23
COC(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1C	REAL000000007911	0	38	-1.0	-52.31	323.96	4.56	-47.74
COC(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1C	REAL000000007911	1	38	-1.0	-52.30	323.91	4.57	-47.73
COC(=O)C1=CC(NC(=O)CCCC2=NNN=N2)=CC=C1C	REAL000000007911	1	39	0.0	-19.12	327.34	4.57	-14.54
COC(=O)C1=CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CC=C1C	REAL000000007912	0	42	0.0	-20.30	352.86	7.40	-12.90
COC(=O)C1=CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC=C1C	REAL000000007913	0	39	0.0	-12.90	338.27	4.35	-8.54
CCN(CC1=CC=CC=N1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007914	0	41	0.0	-14.91	332.55	6.85	-8.06
CCN(CC1=CC=CC=N1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007915	0	38	0.0	-13.88	318.92	5.29	-8.59
O=C(CCCC1=NN=N[N-]1)NCCCCCC(=O)OCC1=CC=CC=C1	REAL000000007916	0	50	-1.0	-50.98	420.96	7.58	-43.40
O=C(CCCC1=N[N-]N=N1)NCCCCCC(=O)OCC1=CC=CC=C1	REAL000000007916	1	50	-1.0	-50.97	420.90	7.57	-43.40
O=C(CCCC1=NNN=N1)NCCCCCC(=O)OCC1=CC=CC=C1	REAL000000007916	1	51	0.0	-17.80	424.33	7.58	-10.21
O=C(CCC1=NN=N[N-]1)NCCCCCC(=O)OCC1=CC=CC=C1	REAL000000007917	0	47	-1.0	-43.88	399.46	6.79	-37.09
O=C(CCC1=N[N-]N=N1)NCCCCCC(=O)OCC1=CC=CC=C1	REAL000000007917	1	47	-1.0	-43.88	399.40	6.79	-37.09
O=C(CCC1=NNN=N1)NCCCCCC(=O)OCC1=CC=CC=C1	REAL000000007917	1	48	0.0	-14.06	402.84	6.80	-7.27
O=C(CCCCCNC(=O)C1=CC=C(C2=NNN=N2)C=N1)OCC1=CC=CC=C1	REAL000000007918	0	51	0.0	-13.29	434.93	7.37	-5.93
CCCCOC1CC(N(C)C(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL000000007919	0	51	-1.0	-51.33	388.05	6.48	-44.85
CCCCOC1CC(N(C)C(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL000000007919	1	51	-1.0	-51.33	388.00	6.48	-44.84
CCCCOC1CC(N(C)C(=O)CCCC2=NNN=N2)C1(C)C	REAL000000007919	1	52	0.0	-16.57	391.43	6.49	-10.08
CCCCOC1CC(N(C)C(=O)CCC2=NN=N[N-]2)C1(C)C	REAL000000007920	0	48	-1.0	-39.40	369.12	5.69	-33.71
CCCCOC1CC(N(C)C(=O)CCC2=N[N-]N=N2)C1(C)C	REAL000000007920	1	48	-1.0	-39.40	369.07	5.69	-33.71
CCCCOC1CC(N(C)C(=O)CCC2=NNN=N2)C1(C)C	REAL000000007920	1	49	0.0	-11.79	369.93	5.71	-6.08
CCCCOC1CC(N(C)C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1(C)C	REAL000000007921	0	55	0.0	-18.26	414.61	8.79	-9.47
CCCCOC1CC(N(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1(C)C	REAL000000007922	0	52	0.0	-10.71	403.96	7.33	-3.38
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1	REAL000000007923	0	40	-1.0	-48.23	333.63	5.45	-42.78
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1	REAL000000007923	1	40	-1.0	-48.21	333.57	5.44	-42.77
CC(C)(NC(=O)CCCC1=NNN=N1)C1=CC=C([N+](=O)[O-])C=C1	REAL000000007923	1	41	0.0	-16.58	337.01	5.46	-11.12
CC(C)(NC(=O)CCC1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1	REAL000000007924	0	37	-1.0	-41.24	312.14	4.67	-36.57
CC(C)(NC(=O)CCC1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1	REAL000000007924	1	37	-1.0	-41.24	312.08	4.66	-36.57
CC(C)(NC(=O)CCC1=NNN=N1)C1=CC=C([N+](=O)[O-])C=C1	REAL000000007924	1	38	0.0	-13.06	315.51	4.68	-8.38
CC(C)(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL000000007925	0	44	0.0	-17.42	362.30	8.32	-9.10
CC(C)(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=C([N+](=O)[O-])C=C1	REAL000000007926	0	41	0.0	-11.71	347.60	5.25	-6.46
CN(CC(O)COC1=CC=C(C(F)(F)F)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL000000007927	0	46	-1.0	-50.11	395.67	4.55	-45.56
CN(CC(O)COC1=CC=C(C(F)(F)F)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL000000007927	1	46	-1.0	-50.09	395.61	4.54	-45.55
CN(CC(O)COC1=CC=C(C(F)(F)F)C=C1)C(=O)CCCC1=NNN=N1	REAL000000007927	1	47	0.0	-16.47	399.05	4.56	-11.91
CN(CC(O)COC1=CC=C(C(F)(F)F)C=C1)C(=O)CCC1=NN=N[N-]1	REAL000000007928	0	43	-1.0	-43.48	373.27	3.86	-39.61
CN(CC(O)COC1=CC=C(C(F)(F)F)C=C1)C(=O)CCC1=N[N-]N=N1	REAL000000007928	1	43	-1.0	-43.47	373.22	3.86	-39.61
CN(CC(O)COC1=CC=C(C(F)(F)F)C=C1)C(=O)CCC1=NNN=N1	REAL000000007928	1	44	0.0	-12.88	376.65	3.87	-9.00
CN(CC(O)COC1=CC=CC=C1C(F)(F)F)C(=O)CCCC1=NN=N[N-]1	REAL000000007929	0	46	-1.0	-56.35	394.23	4.15	-52.20
CN(CC(O)COC1=CC=CC=C1C(F)(F)F)C(=O)CCCC1=N[N-]N=N1	REAL000000007929	1	46	-1.0	-56.34	394.17	4.14	-52.20
CN(CC(O)COC1=CC=CC=C1C(F)(F)F)C(=O)CCCC1=NNN=N1	REAL000000007929	1	47	0.0	-19.08	397.80	4.65	-14.44
CN(CC(O)COC1=CC=CC=C1C(F)(F)F)C(=O)CCC1=NN=N[N-]1	REAL000000007930	0	43	-1.0	-47.55	372.03	3.96	-43.59
CN(CC(O)COC1=CC=CC=C1C(F)(F)F)C(=O)CCC1=N[N-]N=N1	REAL000000007930	1	43	-1.0	-47.54	371.97	3.96	-43.59
CN(CC(O)COC1=CC=CC=C1C(F)(F)F)C(=O)CCC1=NNN=N1	REAL000000007930	1	44	0.0	-15.53	375.40	3.96	-11.56
CC(C)OCCOCC(O)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL000000007931	0	49	-1.0	-52.85	398.78	1.50	-51.35
CC(C)OCCOCC(O)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL000000007931	1	49	-1.0	-52.84	398.73	1.50	-51.34
CC(C)OCCOCC(O)CN(C)C(=O)CCCC1=NNN=N1	REAL000000007931	1	50	0.0	-16.50	401.11	2.18	-14.32
CC(C)OCCOCC(O)CN(C)C(=O)CCC1=NN=N[N-]1	REAL000000007932	0	46	-1.0	-45.78	377.29	0.72	-45.06
CC(C)OCCOCC(O)CN(C)C(=O)CCC1=N[N-]N=N1	REAL000000007932	1	46	-1.0	-45.78	377.24	0.72	-45.06
CC(C)OCCOCC(O)CN(C)C(=O)CCC1=NNN=N1	REAL000000007932	1	47	0.0	-14.20	380.66	0.73	-13.46
CC(C)OCCOCC(O)CN(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007933	0	53	0.0	-19.13	425.05	4.86	-14.27
CC(C)OCCOCC(O)CN(C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007934	0	50	0.0	-14.78	411.04	1.83	-12.95
CCCN(CC(C)(C)O)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007935	0	42	0.0	-9.08	331.02	4.09	-4.99
CCN(CC(C)(C)O)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007936	0	42	0.0	-15.42	326.07	4.78	-10.64
O=C(NCC1=NNC(=O)[N-]1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007937	0	32	-1.0	-47.45	287.83	-0.44	-47.88
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC1CC1=CC=CC=C1	REAL000000007938	0	43	0.0	-18.38	351.53	8.86	-9.52
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC1CC1=CC=CC=C1	REAL000000007939	0	40	0.0	-10.38	337.86	6.45	-3.93
COC(=O)C1=C(C(C)(C)C)N=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL000000007940	0	43	-1.0	-45.37	360.99	4.33	-41.04
COC(=O)C1=C(C(C)(C)C)N=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL000000007940	1	43	-1.0	-45.35	360.94	4.33	-41.02
COC(=O)C1=C(C(C)(C)C)N=C(NC(=O)CCCC2=NNN=N2)S1	REAL000000007940	1	44	0.0	-14.97	364.37	4.34	-10.63
COC(=O)C1=C(C(C)(C)C)N=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL000000007941	0	40	-1.0	-37.42	339.49	3.55	-33.88
COC(=O)C1=C(C(C)(C)C)N=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL000000007941	1	40	-1.0	-37.41	339.44	3.54	-33.87
COC(=O)C1=C(C(C)(C)C)N=C(NC(=O)CCC2=NNN=N2)S1	REAL000000007941	1	41	0.0	-11.22	342.87	3.56	-7.66
COC(=O)C1=C(C(C)(C)C)N=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)S1	REAL000000007942	0	44	0.0	-9.18	374.94	4.12	-5.06
COC(=O)C(C)C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL000000007943	0	44	-1.0	-53.65	358.19	5.54	-48.11
COC(=O)C(C)C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL000000007943	1	44	-1.0	-53.63	358.13	5.53	-48.10
COC(=O)C(C)C(NC(=O)CCCC1=NNN=N1)C1=CC=CC=C1	REAL000000007943	1	45	0.0	-17.41	361.96	5.53	-11.88
COC(=O)C(C)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL000000007944	0	41	-1.0	-43.95	337.17	4.72	-39.24
COC(=O)C(C)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL000000007944	1	41	-1.0	-43.95	337.11	4.72	-39.23
COC(=O)C(C)C(NC(=O)CCC1=NNN=N1)C1=CC=CC=C1	REAL000000007944	1	42	0.0	-15.46	348.12	5.14	-10.32
COC(=O)C(C)C(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC=C1	REAL000000007945	0	48	0.0	-21.82	386.72	8.39	-13.42
COC(=O)C(C)C(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC=C1	REAL000000007946	0	45	0.0	-13.38	372.64	5.29	-8.09
COC(=O)C1=C(N2CCC(NC(=O)CCCC3=NN=N[N-]3)C2=O)SC=C1	REAL000000007947	0	43	-1.0	-62.41	386.39	4.39	-58.02
COC(=O)C1=C(N2CCC(NC(=O)CCCC3=N[N-]N=N3)C2=O)SC=C1	REAL000000007947	1	43	-1.0	-62.40	386.33	4.39	-58.01
COC(=O)C1=C(N2CCC(NC(=O)CCCC3=NNN=N3)C2=O)SC=C1	REAL000000007947	1	44	0.0	-26.71	389.77	4.40	-22.31
COC(=O)C1=C(N2CCC(NC(=O)CCC3=NN=N[N-]3)C2=O)SC=C1	REAL000000007948	0	40	-1.0	-55.13	363.56	3.59	-51.54
COC(=O)C1=C(N2CCC(NC(=O)CCC3=N[N-]N=N3)C2=O)SC=C1	REAL000000007948	1	40	-1.0	-55.13	363.51	3.59	-51.54
COC(=O)C1=C(N2CCC(NC(=O)CCC3=NNN=N3)C2=O)SC=C1	REAL000000007948	1	41	0.0	-21.92	368.27	3.62	-18.30
CC1=C(C2=CC=CC(Br)=C2)C(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL000000007949	0	39	-1.0	-52.52	357.81	5.81	-46.72
CC1=C(C2=CC=CC(Br)=C2)C(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL000000007949	1	39	-1.0	-52.51	357.75	5.80	-46.72
CC1=C(C2=CC=CC(Br)=C2)C(NC(=O)CCCC2=NNN=N2)=NN1	REAL000000007949	1	40	0.0	-18.84	362.72	5.87	-12.97
CC1=C(C2=CC=CC(Br)=C2)C(NC(=O)CCC2=NN=N[N-]2)=NN1	REAL000000007950	0	36	-1.0	-44.02	336.26	5.02	-38.99
CC1=C(C2=CC=CC(Br)=C2)C(NC(=O)CCC2=N[N-]N=N2)=NN1	REAL000000007950	1	36	-1.0	-44.01	336.21	5.02	-39.00
CC1=C(C2=CC=CC(Br)=C2)C(NC(=O)CCC2=NNN=N2)=NN1	REAL000000007950	1	37	0.0	-14.43	341.21	5.09	-9.34
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1C#CC1=CC=CC=C1	REAL000000007951	0	41	-1.0	-48.18	360.69	8.66	-39.52
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1C#CC1=CC=CC=C1	REAL000000007951	1	41	-1.0	-48.17	360.63	8.65	-39.52
O=C(CCCC1=NNN=N1)NC1=CC=CC=C1C#CC1=CC=CC=C1	REAL000000007951	1	42	0.0	-14.85	363.24	8.64	-6.21
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1C#CC1=CC=CC=C1	REAL000000007952	0	38	-1.0	-41.29	338.37	7.85	-33.44
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1C#CC1=CC=CC=C1	REAL000000007952	1	38	-1.0	-41.24	338.30	7.85	-33.39
O=C(CCC1=NNN=N1)NC1=CC=CC=C1C#CC1=CC=CC=C1	REAL000000007952	1	39	0.0	-10.97	341.74	7.85	-3.12
O=C(NC1=CC=CC=C1C#CC1=CC=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007953	0	42	0.0	-10.96	373.82	8.42	-2.54
CC(C1=CC=C(Cl)C=C1)C(C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL000000007954	0	44	-1.0	-49.87	365.92	7.99	-41.88
CC(C1=CC=C(Cl)C=C1)C(C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL000000007954	1	44	-1.0	-49.86	365.86	7.99	-41.87
CC(C1=CC=C(Cl)C=C1)C(C)N(C)C(=O)CCCC1=NNN=N1	REAL000000007954	1	45	0.0	-14.91	367.24	7.97	-6.94
CC(C1=CC=C(Cl)C=C1)C(C)N(C)C(=O)CCC1=NN=N[N-]1	REAL000000007955	0	41	-1.0	-41.85	344.42	7.21	-34.64
CC(C1=CC=C(Cl)C=C1)C(C)N(C)C(=O)CCC1=N[N-]N=N1	REAL000000007955	1	41	-1.0	-41.85	344.36	7.21	-34.64
CC(C1=CC=C(Cl)C=C1)C(C)N(C)C(=O)CCC1=NNN=N1	REAL000000007955	1	42	0.0	-10.71	347.79	7.21	-3.49
CC(C1=CC=C(Cl)C=C1)C(C)N(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007956	0	48	0.0	-16.86	393.67	10.57	-6.29
CC(C1=CC=C(Cl)C=C1)C(C)N(C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007957	0	45	0.0	-9.91	374.16	8.40	-1.51
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NOC(CC2=CC=CC=C2)=N1	REAL000000007958	0	43	-1.0	-48.34	372.28	3.43	-44.90
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NOC(CC2=CC=CC=C2)=N1	REAL000000007958	1	43	-1.0	-48.33	372.22	3.43	-44.90
CC(NC(=O)CCCC1=NNN=N1)C1=NOC(CC2=CC=CC=C2)=N1	REAL000000007958	1	44	0.0	-15.05	375.66	3.44	-11.61
CC(NC(=O)CCC1=NN=N[N-]1)C1=NOC(CC2=CC=CC=C2)=N1	REAL000000007959	0	40	-1.0	-41.34	350.78	2.66	-38.68
CC(NC(=O)CCC1=N[N-]N=N1)C1=NOC(CC2=CC=CC=C2)=N1	REAL000000007959	1	40	-1.0	-41.34	350.73	2.65	-38.69
CC(NC(=O)CCC1=NNN=N1)C1=NOC(CC2=CC=CC=C2)=N1	REAL000000007959	1	41	0.0	-11.54	354.16	2.66	-8.88
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=NOC(CC2=CC=CC=C2)=N1	REAL000000007960	0	47	0.0	-16.34	400.79	6.29	-10.05
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=NOC(CC2=CC=CC=C2)=N1	REAL000000007961	0	44	0.0	-11.38	386.25	3.23	-8.15
CN1C=C(CC2CCN(C(=O)CCCC3=NN=N[N-]3)C2)C=N1	REAL000000007962	0	42	-1.0	-52.11	347.61	5.02	-47.09
CN1C=C(CC2CCN(C(=O)CCCC3=N[N-]N=N3)C2)C=N1	REAL000000007962	1	42	-1.0	-52.10	347.55	5.02	-47.08
CN1C=C(CC2CCN(C(=O)CCCC3=NNN=N3)C2)C=N1	REAL000000007962	1	43	0.0	-18.72	350.99	5.03	-13.69
CN1C=C(CC2CCN(C(=O)C3=CC=CC(NC4=NNN=N4)=C3)C2)C=N1	REAL000000007963	0	46	0.0	-22.14	370.48	7.28	-14.86
CN1C=C(CC2CCN(C(=O)C3=CC=C(C4=NNN=N4)C=N3)C2)C=N1	REAL000000007964	0	43	0.0	-15.67	358.02	5.18	-10.50
CC1=C(COC2=CC=CC=C2)C=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000007965	0	46	-1.0	-50.39	376.87	7.55	-42.85
CC1=C(COC2=CC=CC=C2)C=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000007965	1	46	-1.0	-50.37	376.82	7.55	-42.82
CC1=C(COC2=CC=CC=C2)C=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000007965	1	47	0.0	-17.31	380.25	7.55	-9.75
CC1=C(COC2=CC=CC=C2)C=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL000000007966	0	43	-1.0	-41.66	355.40	6.77	-34.89
CC1=C(COC2=CC=CC=C2)C=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL000000007966	1	43	-1.0	-41.66	355.34	6.76	-34.91
CC1=C(COC2=CC=CC=C2)C=CC=C1NC(=O)CCC1=NNN=N1	REAL000000007966	1	44	0.0	-13.02	359.76	6.82	-6.20
CC1=C(COC2=CC=CC=C2)C=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007967	0	47	0.0	-11.41	390.87	7.34	-4.07
CC(C)(C)C1=CN=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)O1	REAL000000007968	0	44	0.0	-15.05	366.55	3.79	-11.26
CC(C)(C)C1=CN=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)O1	REAL000000007969	0	41	0.0	-9.94	351.60	0.76	-9.18
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(NC(=O)C2CCCCC2)=C1	REAL000000007970	0	49	-1.0	-52.85	391.40	5.64	-47.21
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(NC(=O)C2CCCCC2)=C1	REAL000000007970	1	49	-1.0	-52.83	391.34	5.63	-47.20
O=C(CCCC1=NNN=N1)NC1=CC=CC(NC(=O)C2CCCCC2)=C1	REAL000000007970	1	50	0.0	-18.60	394.77	5.65	-12.95
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(NC(=O)C2CCCCC2)=C1	REAL000000007971	0	46	-1.0	-46.26	369.38	4.89	-41.37
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(NC(=O)C2CCCCC2)=C1	REAL000000007971	1	46	-1.0	-46.26	369.32	4.88	-41.38
O=C(CCC1=NNN=N1)NC1=CC=CC(NC(=O)C2CCCCC2)=C1	REAL000000007971	1	47	0.0	-14.78	372.76	4.90	-9.88
O=C(NC1=CC=CC(NC(=O)C2CCCCC2)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007972	0	50	0.0	-13.61	405.22	5.45	-8.16
COC(=O)CC1(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCC1	REAL000000007973	0	42	0.0	-14.49	345.24	6.34	-8.15
COC(=O)CC1(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCC1	REAL000000007974	0	39	0.0	-9.82	329.78	3.11	-6.72
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCN(C2=CC(F)=CC=C2F)CC1	REAL000000007977	0	45	0.0	-15.43	363.12	7.17	-8.26
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCN(C2=CC(F)=CC=C2F)CC1	REAL000000007978	0	42	0.0	-9.97	353.85	5.18	-4.79
CCSC1CCCCC1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007979	0	46	0.0	-15.33	367.90	8.55	-6.78
CCSC1CCCCC1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007980	0	43	0.0	-9.07	353.37	5.48	-3.59
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NC(CC2=CC=CC=C2)=NO1	REAL000000007981	0	43	-1.0	-46.90	372.44	3.48	-43.42
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NC(CC2=CC=CC=C2)=NO1	REAL000000007981	1	43	-1.0	-46.88	372.38	3.47	-43.41
CC(NC(=O)CCCC1=NNN=N1)C1=NC(CC2=CC=CC=C2)=NO1	REAL000000007981	1	44	0.0	-14.76	375.82	3.48	-11.28
CC(NC(=O)CCC1=NN=N[N-]1)C1=NC(CC2=CC=CC=C2)=NO1	REAL000000007982	0	40	-1.0	-40.10	350.94	2.69	-37.41
CC(NC(=O)CCC1=N[N-]N=N1)C1=NC(CC2=CC=CC=C2)=NO1	REAL000000007982	1	40	-1.0	-40.10	350.88	2.69	-37.41
CC(NC(=O)CCC1=NNN=N1)C1=NC(CC2=CC=CC=C2)=NO1	REAL000000007982	1	41	0.0	-11.13	354.31	2.70	-8.43
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=NC(CC2=CC=CC=C2)=NO1	REAL000000007983	0	47	0.0	-15.14	401.38	6.29	-8.85
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=NC(CC2=CC=CC=C2)=NO1	REAL000000007984	0	44	0.0	-10.11	386.42	3.27	-6.85
COC(=O)[C@H]1CCCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007985	0	42	0.0	-16.92	338.34	7.82	-9.10
COC(=O)[C@H]1CCCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007986	0	39	0.0	-14.34	317.31	5.31	-9.03
CCN1N=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1C1CC1	REAL000000007987	0	43	0.0	-17.52	355.74	7.82	-9.70
CCN1N=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1C1CC1	REAL000000007988	0	40	0.0	-11.93	341.22	4.76	-7.17
COC1=CC=C(C2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)S2)C=C1	REAL000000007989	0	43	-1.0	-48.14	376.43	5.57	-42.57
COC1=CC=C(C2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)S2)C=C1	REAL000000007989	1	43	-1.0	-48.12	376.38	5.56	-42.56
COC1=CC=C(C2=CC=C(CNC(=O)CCCC3=NNN=N3)S2)C=C1	REAL000000007989	1	44	0.0	-15.13	379.81	5.58	-9.56
COC1=CC=C(C2=CC=C(CNC(=O)CCC3=NN=N[N-]3)S2)C=C1	REAL000000007990	0	40	-1.0	-41.18	354.93	4.79	-36.39
COC1=CC=C(C2=CC=C(CNC(=O)CCC3=N[N-]N=N3)S2)C=C1	REAL000000007990	1	40	-1.0	-41.17	354.88	4.78	-36.39
COC1=CC=C(C2=CC=C(CNC(=O)CCC3=NNN=N3)S2)C=C1	REAL000000007990	1	41	0.0	-11.42	358.31	4.80	-6.62
COC1=CC=C(C2=CC=C(CNC(=O)C3=CC=C(C4=NNN=N4)C=N3)S2)C=C1	REAL000000007991	0	44	0.0	-10.78	390.41	5.36	-5.42
COC(=O)CC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000007992	0	38	-1.0	-50.68	327.11	5.03	-45.66
COC(=O)CC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000007992	1	38	-1.0	-50.67	327.05	5.03	-45.64
COC(=O)CC1=CC=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000007992	1	39	0.0	-17.35	329.56	4.99	-12.35
COC(=O)CC1=CC=CC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007993	0	42	0.0	-18.73	355.35	7.85	-10.87
COC(=O)CC1=CC=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007994	0	39	0.0	-12.72	341.08	4.82	-7.91
CC(C)(C)OCC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL000000007995	0	45	-1.0	-48.95	364.54	5.23	-43.72
CC(C)(C)OCC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL000000007995	1	45	-1.0	-48.93	364.49	5.22	-43.71
CC(C)(C)OCC1=CC=C(NC(=O)CCCC2=NNN=N2)C=C1	REAL000000007995	1	46	0.0	-15.54	367.92	5.24	-10.30
CC(C)(C)OCC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL000000007996	0	42	-1.0	-40.81	343.05	4.45	-36.37
CC(C)(C)OCC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL000000007996	1	42	-1.0	-40.80	342.99	4.44	-36.36
CC(C)(C)OCC1=CC=C(NC(=O)CCC2=NNN=N2)C=C1	REAL000000007996	1	43	0.0	-11.31	346.42	4.46	-6.85
CC(C)(C)OCC1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000007997	0	49	0.0	-16.83	393.61	8.04	-8.79
CC(C)(C)OCC1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000007998	0	46	0.0	-10.41	378.52	5.02	-5.39
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC(Cl)=CC(Cl)=C2C1	REAL000000007999	0	36	-1.0	-44.99	326.65	6.70	-38.29
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC(Cl)=CC(Cl)=C2C1	REAL000000007999	1	36	-1.0	-44.98	326.59	6.70	-38.28
O=C(CCCC1=NNN=N1)N1CCC2=CC(Cl)=CC(Cl)=C2C1	REAL000000007999	1	37	0.0	-12.22	330.03	6.71	-5.51
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC2=CC(Cl)=CC(Cl)=C2C1	REAL000000008001	0	40	0.0	-13.09	353.74	9.13	-3.97
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2=CC(Cl)=CC(Cl)=C2C1	REAL000000008002	0	37	0.0	-8.43	337.78	7.00	-1.43
CCC1=CC(N2CCC(NC(=O)CCCC3=NN=N[N-]3)CC2)=NC=N1	REAL000000008003	0	48	-1.0	-49.19	385.01	4.74	-44.45
CCC1=CC(N2CCC(NC(=O)CCCC3=N[N-]N=N3)CC2)=NC=N1	REAL000000008003	1	48	-1.0	-49.17	384.95	4.74	-44.43
CCC1=CC(N2CCC(NC(=O)CCCC3=NNN=N3)CC2)=NC=N1	REAL000000008003	1	49	0.0	-16.36	388.39	4.75	-11.61
CCC1=CC(N2CCC(NC(=O)CCC3=NN=N[N-]3)CC2)=NC=N1	REAL000000008004	0	45	-1.0	-43.16	363.51	3.96	-39.20
CCC1=CC(N2CCC(NC(=O)CCC3=N[N-]N=N3)CC2)=NC=N1	REAL000000008004	1	45	-1.0	-43.15	363.45	3.96	-39.19
CCC1=CC(N2CCC(NC(=O)CCC3=NNN=N3)CC2)=NC=N1	REAL000000008004	1	46	0.0	-13.92	366.88	3.97	-9.95
CCC1=CC(N2CCC(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)CC2)=NC=N1	REAL000000008005	0	52	0.0	-17.81	413.54	7.60	-10.20
CCC1=CC(N2CCC(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)CC2)=NC=N1	REAL000000008006	0	49	0.0	-11.23	398.99	4.53	-6.70
CC1=CC=C2C(=C1)OC(C)CN2C(=O)CCCC1=NN=N[N-]1	REAL000000008007	0	40	-1.0	-48.94	323.69	5.58	-43.36
CC1=CC=C2C(=C1)OC(C)CN2C(=O)CCCC1=N[N-]N=N1	REAL000000008007	1	40	-1.0	-48.93	323.63	5.58	-43.35
CC1=CC=C2C(=C1)OC(C)CN2C(=O)CCCC1=NNN=N1	REAL000000008007	1	41	0.0	-16.71	327.08	5.60	-11.11
CC1=CC=C2C(=C1)OC(C)CN2C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008008	0	44	0.0	-17.90	351.05	7.99	-9.91
CC1=CC=C2C(=C1)OC(C)CN2C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008009	0	41	0.0	-11.16	334.64	5.90	-5.26
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NOC(C2=CC=C(Cl)C=C2)=N1	REAL000000008010	0	40	-1.0	-46.36	367.10	3.25	-43.10
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NOC(C2=CC=C(Cl)C=C2)=N1	REAL000000008010	1	40	-1.0	-46.34	367.04	3.24	-43.09
CC(NC(=O)CCCC1=NNN=N1)C1=NOC(C2=CC=C(Cl)C=C2)=N1	REAL000000008010	1	41	0.0	-13.40	370.48	3.26	-10.14
CC(NC(=O)CCC1=NN=N[N-]1)C1=NOC(C2=CC=C(Cl)C=C2)=N1	REAL000000008011	0	37	-1.0	-39.70	345.59	2.48	-37.22
CC(NC(=O)CCC1=N[N-]N=N1)C1=NOC(C2=CC=C(Cl)C=C2)=N1	REAL000000008011	1	37	-1.0	-39.69	345.53	2.47	-37.23
CC(NC(=O)CCC1=NNN=N1)C1=NOC(C2=CC=C(Cl)C=C2)=N1	REAL000000008011	1	38	0.0	-9.99	348.97	2.49	-7.50
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=NOC(C2=CC=C(Cl)C=C2)=N1	REAL000000008012	0	41	0.0	-9.57	381.06	3.05	-6.52
CCSC1CCCC1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008013	0	43	0.0	-13.59	352.66	7.65	-5.93
CCSC1CCCC1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008014	0	40	0.0	-8.48	338.11	4.57	-3.91
O=C(NC1CC(=O)N(C2CC2)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008015	0	41	0.0	-21.05	337.42	5.09	-15.97
O=C(NC1CC(=O)N(C2CC2)C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008016	0	38	0.0	-14.07	322.92	2.02	-12.05
CCCCCC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(=O)OC	REAL000000008017	0	47	0.0	-18.29	387.41	7.67	-10.62
CCCCCC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(=O)OC	REAL000000008018	0	44	0.0	-11.81	372.86	4.60	-7.20
CCC1=NOC(C2=CC=C(C)C(NC(=O)CCCC3=NN=N[N-]3)=C2)=N1	REAL000000008019	0	43	-1.0	-54.53	364.76	4.19	-50.34
CCC1=NOC(C2=CC=C(C)C(NC(=O)CCCC3=N[N-]N=N3)=C2)=N1	REAL000000008019	1	43	-1.0	-54.51	364.70	4.19	-50.32
CCC1=NOC(C2=CC=C(C)C(NC(=O)CCCC3=NNN=N3)=C2)=N1	REAL000000008019	1	44	0.0	-19.76	368.13	4.20	-15.56
CCC1=NOC(C2=CC=C(C)C(NC(=O)CCC3=NN=N[N-]3)=C2)=N1	REAL000000008020	0	40	-1.0	-44.86	343.26	3.41	-41.45
CCC1=NOC(C2=CC=C(C)C(NC(=O)CCC3=N[N-]N=N3)=C2)=N1	REAL000000008020	1	40	-1.0	-44.85	343.20	3.41	-41.44
CCC1=NOC(C2=CC=C(C)C(NC(=O)CCC3=NNN=N3)=C2)=N1	REAL000000008020	1	41	0.0	-15.33	346.64	3.42	-11.91
CCC1=NOC(C2=CC=C(C)C(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=C2)=N1	REAL000000008021	0	47	0.0	-21.39	394.76	7.11	-14.27
CCC1=NOC(C2=CC=C(C)C(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=C2)=N1	REAL000000008022	0	44	0.0	-13.49	378.72	3.98	-9.50
O=C(CCCC1=NN=N[N-]1)NCC#CC1=CC=C(C(F)(F)F)C=C1	REAL000000008023	0	37	-1.0	-45.85	345.51	5.95	-39.90
O=C(CCCC1=N[N-]N=N1)NCC#CC1=CC=C(C(F)(F)F)C=C1	REAL000000008023	1	37	-1.0	-45.83	345.45	5.94	-39.89
O=C(CCCC1=NNN=N1)NCC#CC1=CC=C(C(F)(F)F)C=C1	REAL000000008023	1	38	0.0	-13.62	348.89	5.96	-7.66
O=C(CCC1=NN=N[N-]1)NCC#CC1=CC=C(C(F)(F)F)C=C1	REAL000000008024	0	34	-1.0	-38.91	324.01	5.17	-33.74
O=C(CCC1=N[N-]N=N1)NCC#CC1=CC=C(C(F)(F)F)C=C1	REAL000000008024	1	34	-1.0	-38.90	323.95	5.16	-33.74
O=C(CCC1=NNN=N1)NCC#CC1=CC=C(C(F)(F)F)C=C1	REAL000000008024	1	35	0.0	-10.11	327.39	5.18	-4.94
O=C(NCC#CC1=CC=C(C(F)(F)F)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008025	0	41	0.0	-14.64	374.04	8.80	-5.84
O=C(NCC#CC1=CC=C(C(F)(F)F)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008026	0	38	0.0	-9.22	359.47	5.74	-3.48
CC(C(=O)OC(C)(C)C)N(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008027	0	47	0.0	-14.81	368.34	7.67	-7.15
CC(C(=O)OC(C)(C)C)N(C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008028	0	44	0.0	-10.12	353.50	5.69	-4.43
COC1=CC=CC=C1CC(NC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL000000008029	0	48	-1.0	-49.90	378.13	5.98	-43.92
COC1=CC=CC=C1CC(NC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL000000008029	1	48	-1.0	-49.89	378.07	5.98	-43.91
COC1=CC=CC=C1CC(NC(=O)CCCC1=NNN=N1)C(C)C	REAL000000008029	1	49	0.0	-13.56	376.77	6.62	-6.94
COC1=CC=CC=C1CC(NC(=O)CCC1=NN=N[N-]1)C(C)C	REAL000000008030	0	45	-1.0	-40.46	352.05	5.43	-35.03
COC1=CC=CC=C1CC(NC(=O)CCC1=N[N-]N=N1)C(C)C	REAL000000008030	1	45	-1.0	-40.46	352.00	5.42	-35.04
COC1=CC=CC=C1CC(NC(=O)CCC1=NNN=N1)C(C)C	REAL000000008030	1	46	0.0	-12.30	364.65	5.12	-7.17
COC1=CC=CC=C1CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(C)C	REAL000000008031	0	52	0.0	-18.15	407.77	8.49	-9.66
COC1=CC=CC=C1CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(C)C	REAL000000008032	0	49	0.0	-10.57	392.10	5.78	-4.80
CC(C)(CC1=CC=C(Cl)C=C1Cl)NC(=O)CCCC1=NN=N[N-]1	REAL000000008033	0	41	-1.0	-47.79	350.15	5.92	-41.87
CC(C)(CC1=CC=C(Cl)C=C1Cl)NC(=O)CCCC1=N[N-]N=N1	REAL000000008033	1	41	-1.0	-47.77	350.09	5.91	-41.86
CC(C)(CC1=CC=C(Cl)C=C1Cl)NC(=O)CCCC1=NNN=N1	REAL000000008033	1	42	0.0	-14.44	353.52	5.93	-8.52
CC(C)(CC1=CC=C(Cl)C=C1Cl)NC(=O)CCC1=NN=N[N-]1	REAL000000008034	0	38	-1.0	-40.09	328.71	5.14	-34.95
CC(C)(CC1=CC=C(Cl)C=C1Cl)NC(=O)CCC1=N[N-]N=N1	REAL000000008034	1	38	-1.0	-40.08	328.66	5.13	-34.95
CC(C)(CC1=CC=C(Cl)C=C1Cl)NC(=O)CCC1=NNN=N1	REAL000000008034	1	39	0.0	-10.43	332.03	5.15	-5.29
CC(C)(CC1=CC=C(Cl)C=C1Cl)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008035	0	42	0.0	-9.38	364.11	5.71	-3.67
CC[NH+](CC)CCOC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL000000008036	0	51	0.0	-70.82	386.68	5.39	-65.43
CC[NH+](CC)CCOC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL000000008036	1	51	0.0	-70.80	386.63	5.38	-65.42
CC[NH+](CC)CCOC1CCN(C(=O)CCCC2=NNN=N2)C1	REAL000000008036	1	52	1.0	-46.41	393.98	5.67	-40.74
CC[NH+](CC)CCOC1CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL000000008037	0	48	0.0	-62.12	365.21	4.61	-57.51
CC[NH+](CC)CCOC1CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL000000008037	1	48	0.0	-62.12	365.15	4.60	-57.52
CC[NH+](CC)CCOC1CCN(C(=O)CCC2=NNN=N2)C1	REAL000000008037	1	49	1.0	-42.02	372.48	4.89	-37.13
CC[NH+](CC)CCOC1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000008038	0	55	1.0	-42.03	414.77	8.03	-34.01
CC[NH+](CC)CCOC1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000008039	0	52	1.0	-40.71	400.25	5.89	-34.82
CC(C)OCC[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL000000008040	0	51	0.0	-67.94	392.71	4.58	-63.37
CC(C)OCC[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL000000008040	1	51	0.0	-67.93	392.65	4.58	-63.35
CC(C)OCC[NH+]1CCC(NC(=O)CCCC2=NNN=N2)CC1	REAL000000008040	1	52	1.0	-44.36	396.07	4.60	-39.75
CC(C)OCC[NH+]1CCC(NC(=O)CCC2=NN=N[N-]2)CC1	REAL000000008041	0	48	0.0	-60.87	371.20	3.81	-57.06
CC(C)OCC[NH+]1CCC(NC(=O)CCC2=N[N-]N=N2)CC1	REAL000000008041	1	48	0.0	-60.87	371.14	3.81	-57.05
CC(C)OCC[NH+]1CCC(NC(=O)CCC2=NNN=N2)CC1	REAL000000008041	1	49	1.0	-41.52	374.57	3.82	-37.70
CC(C)OCC[NH+]1CCC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008042	0	55	1.0	-46.03	421.06	7.44	-38.58
CC(C)OCC[NH+]1CCC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008043	0	52	1.0	-40.45	406.67	4.38	-36.07
COC1=CC(CN2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=CC(OC)=C1	REAL000000008044	0	52	-1.0	-49.18	408.98	3.44	-45.74
COC1=CC(CN2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=CC(OC)=C1	REAL000000008044	1	52	-1.0	-49.17	408.93	3.44	-45.74
COC1=CC(CN2CCN(C(=O)CCCC3=NNN=N3)CC2)=CC(OC)=C1	REAL000000008044	1	53	0.0	-15.65	411.65	3.29	-12.36
COC1=CC(CN2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=CC(OC)=C1	REAL000000008045	0	49	-1.0	-42.19	387.50	2.65	-39.54
COC1=CC(CN2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=CC(OC)=C1	REAL000000008045	1	49	-1.0	-42.19	387.44	2.65	-39.54
COC1=CC(CN2CCN(C(=O)CCC3=NNN=N3)CC2)=CC(OC)=C1	REAL000000008045	1	50	0.0	-11.70	390.15	2.50	-9.19
O=C(CCCC1=NN=N[N-]1)NCCOC1=C(Cl)C=C(Cl)C=C1Cl	REAL000000008046	0	36	-1.0	-45.98	361.77	4.87	-41.10
O=C(CCCC1=N[N-]N=N1)NCCOC1=C(Cl)C=C(Cl)C=C1Cl	REAL000000008046	1	36	-1.0	-45.96	361.71	4.87	-41.09
O=C(CCCC1=NNN=N1)NCCOC1=C(Cl)C=C(Cl)C=C1Cl	REAL000000008046	1	37	0.0	-12.61	365.14	4.88	-7.73
O=C(CCC1=NN=N[N-]1)NCCOC1=C(Cl)C=C(Cl)C=C1Cl	REAL000000008047	0	33	-1.0	-39.49	340.27	4.09	-35.40
O=C(CCC1=N[N-]N=N1)NCCOC1=C(Cl)C=C(Cl)C=C1Cl	REAL000000008047	1	33	-1.0	-39.48	340.21	4.08	-35.40
O=C(CCC1=NNN=N1)NCCOC1=C(Cl)C=C(Cl)C=C1Cl	REAL000000008047	1	34	0.0	-9.24	343.65	4.10	-5.14
COC1=CC=CC=C1C(CC(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL000000008048	0	48	-1.0	-49.07	371.67	5.88	-43.19
COC1=CC=CC=C1C(CC(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL000000008048	1	48	-1.0	-49.07	371.61	5.87	-43.20
COC1=CC=CC=C1C(CC(C)C)NC(=O)CCCC1=NNN=N1	REAL000000008048	1	49	0.0	-14.13	376.08	5.63	-8.50
COC1=CC=CC=C1C(CC(C)C)NC(=O)CCC1=NN=N[N-]1	REAL000000008049	0	45	-1.0	-41.82	360.30	6.35	-35.48
COC1=CC=CC=C1C(CC(C)C)NC(=O)CCC1=N[N-]N=N1	REAL000000008049	1	45	-1.0	-41.82	360.24	6.35	-35.48
COC1=CC=CC=C1C(CC(C)C)NC(=O)CCC1=NNN=N1	REAL000000008049	1	46	0.0	-11.94	363.67	6.35	-5.58
COC1=CC=CC=C1C(CC(C)C)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008051	0	49	0.0	-9.37	386.65	5.42	-3.96
COC1=NC=C(C)C=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008052	0	39	0.0	-14.93	329.28	3.73	-11.20
COC1=NC=C(C)C=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008053	0	36	0.0	-10.01	314.90	0.65	-9.36
COC(=O)CC(C)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL000000008054	0	46	-1.0	-50.79	358.99	3.10	-47.70
COC(=O)CC(C)N1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL000000008055	0	43	-1.0	-42.16	337.49	2.30	-39.85
COC(=O)CC(C)N1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008056	0	50	0.0	-19.98	384.90	5.55	-14.43
COC(=O)CC(C)[NH+]1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008056	1	51	1.0	-56.52	389.51	7.76	-48.76
COC(=O)CC(C)N1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008057	0	47	0.0	-12.42	370.93	3.82	-8.61
CC[N@@H+]1CCC2CCC(C1)N2C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008058	0	49	1.0	-42.72	354.82	8.95	-33.77
CC[N@H+]1CCC2CCC(C1)N2C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008058	1	49	1.0	-36.84	357.45	8.84	-28.00
CC[N@@H+]1CCC2CCC(C1)N2C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008059	0	46	1.0	-39.22	336.25	6.94	-32.28
CC[N@H+]1CCC2CCC(C1)N2C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008059	1	46	1.0	-39.25	336.29	6.94	-32.31
NC1=NSC(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=N1	REAL000000008060	0	38	-1.0	-49.23	324.86	2.37	-46.86
NC1=NSC(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=N1	REAL000000008060	1	38	-1.0	-49.21	324.81	2.37	-46.84
NC1=NSC(N2CCN(C(=O)CCCC3=NNN=N3)CC2)=N1	REAL000000008060	1	39	0.0	-17.53	328.24	2.38	-15.15
NC1=NSC(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL000000008061	0	35	-1.0	-41.08	303.31	1.58	-39.50
NC1=NSC(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL000000008061	1	35	-1.0	-41.09	303.26	1.58	-39.51
NC1=NSC(N2CCN(C(=O)CCC3=NNN=N3)CC2)=N1	REAL000000008061	1	36	0.0	-13.25	306.69	1.59	-11.66
NC1=NSC(N2CCN(C(=O)C3=CC=CC(NC4=NNN=N4)=C3)CC2)=N1	REAL000000008062	0	42	0.0	-18.22	351.01	4.85	-13.37
NC1=NSC(N2CCN(C(=O)C3=CC=C(C4=NNN=N4)C=N3)CC2)=N1	REAL000000008063	0	39	0.0	-12.32	336.24	2.58	-9.74
CN(CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1)C(=O)OC(C)(C)C	REAL000000008064	0	55	-1.0	-50.95	446.00	6.47	-44.48
CN(CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1)C(=O)OC(C)(C)C	REAL000000008064	1	55	-1.0	-50.94	445.95	6.47	-44.47
CN(CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C=C1)C(=O)OC(C)(C)C	REAL000000008064	1	56	0.0	-17.57	449.39	6.48	-11.09
CN(CC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1)C(=O)OC(C)(C)C	REAL000000008065	0	52	-1.0	-43.84	424.51	5.69	-38.15
CN(CC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1)C(=O)OC(C)(C)C	REAL000000008065	1	52	-1.0	-43.84	424.45	5.69	-38.15
CN(CC1=CC=C(CNC(=O)CCC2=NNN=N2)C=C1)C(=O)OC(C)(C)C	REAL000000008065	1	53	0.0	-14.08	427.88	5.70	-8.37
COCCC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCCC1	REAL000000008066	0	49	0.0	-15.09	378.86	6.23	-8.87
COCCC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCCC1	REAL000000008067	0	46	0.0	-8.75	364.35	3.33	-5.42
O=C(CCCC1=NN=N[N-]1)NCCOC1=NC=CC=C1Cl	REAL000000008068	0	35	-1.0	-49.52	322.61	1.09	-48.43
O=C(CCCC1=N[N-]N=N1)NCCOC1=NC=CC=C1Cl	REAL000000008068	1	35	-1.0	-49.50	322.55	1.08	-48.42
O=C(CCCC1=NNN=N1)NCCOC1=NC=CC=C1Cl	REAL000000008068	1	36	0.0	-15.42	325.98	1.10	-14.32
O=C(NCCOC1=NC=CC=C1Cl)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008069	0	39	0.0	-17.35	351.14	3.94	-13.41
O=C(NCCOC1=NC=CC=C1Cl)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008070	0	36	0.0	-11.74	336.58	0.88	-10.86
CN(CC1=CC=CN1C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008071	0	40	0.0	-10.59	322.06	7.48	-3.11
O=C(NC1(CC2=CC=CC=C2)CCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008072	0	46	0.0	-15.07	369.53	9.10	-5.97
O=C(NC1(CC2=CC=CC=C2)CCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008073	0	43	0.0	-9.03	354.66	6.07	-2.96
CC1=CC=C(OC2=CC=CC=C2)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL000000008074	0	43	-1.0	-47.13	363.35	6.95	-40.18
CC1=CC=C(OC2=CC=CC=C2)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL000000008074	1	43	-1.0	-47.12	363.29	6.95	-40.18
CC1=CC=C(OC2=CC=CC=C2)C(NC(=O)CCCC2=NNN=N2)=C1	REAL000000008074	1	44	0.0	-13.54	366.73	6.96	-6.58
CC1=CC=C(OC2=CC=CC=C2)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL000000008075	0	40	-1.0	-40.38	342.21	6.21	-34.16
CC1=CC=C(OC2=CC=CC=C2)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL000000008075	1	40	-1.0	-40.38	342.15	6.22	-34.16
CC1=CC=C(OC2=CC=CC=C2)C(NC(=O)CCC2=NNN=N2)=C1	REAL000000008075	1	41	0.0	-10.07	345.23	6.18	-3.90
CC1=CC=C(OC2=CC=CC=C2)C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000008076	0	47	0.0	-15.08	392.43	9.92	-5.16
CC1=CC=C(OC2=CC=CC=C2)C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000008077	0	44	0.0	-10.23	375.99	6.80	-3.43
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCOC(C2=CC=CO2)C1	REAL000000008078	0	41	0.0	-18.29	336.08	5.65	-12.64
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCOC(C2=CC=CO2)C1	REAL000000008079	0	38	0.0	-11.13	320.91	3.55	-7.58
CCOCCC1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL000000008080	0	48	-1.0	-46.57	370.94	4.50	-42.07
CCOCCC1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL000000008080	1	48	-1.0	-46.57	370.88	4.50	-42.06
CCOCCC1(CNC(=O)CCCC2=NNN=N2)CCCC1	REAL000000008080	1	49	0.0	-13.04	374.32	4.51	-8.53
CCOCCC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCCC1	REAL000000008081	0	52	0.0	-14.99	400.72	7.20	-7.79
CCOCCC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCCC1	REAL000000008082	0	49	0.0	-8.67	386.21	4.31	-4.37
CC(C)CC1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008083	0	48	0.0	-14.97	362.74	8.72	-6.24
CC(C)CC1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008084	0	45	0.0	-8.48	346.01	6.38	-2.11
CS(=O)(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL000000008085	0	38	-1.0	-60.28	316.07	0.99	-59.29
CS(=O)(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL000000008085	1	38	-1.0	-60.27	316.01	0.98	-59.29
CS(=O)(=O)C1CCN(C(=O)CCCC2=NNN=N2)CC1	REAL000000008085	1	39	0.0	-27.06	319.49	0.99	-26.08
CS(=O)(=O)C1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008086	0	42	0.0	-29.43	343.10	3.47	-25.96
CS(=O)(=O)C1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008087	0	39	0.0	-20.64	327.73	1.19	-19.45
O=C(CCCC1=NN=N[N-]1)NC1CC1CC1=CC=C(C(F)(F)F)C=C1	REAL000000008088	0	42	-1.0	-47.50	370.76	6.79	-40.71
O=C(CCCC1=N[N-]N=N1)NC1CC1CC1=CC=C(C(F)(F)F)C=C1	REAL000000008088	1	42	-1.0	-47.49	370.71	6.79	-40.70
O=C(CCCC1=NNN=N1)NC1CC1CC1=CC=C(C(F)(F)F)C=C1	REAL000000008088	1	43	0.0	-14.80	374.15	6.80	-8.00
O=C(CCC1=NN=N[N-]1)NC1CC1CC1=CC=C(C(F)(F)F)C=C1	REAL000000008089	0	39	-1.0	-40.27	349.28	6.01	-34.25
O=C(CCC1=N[N-]N=N1)NC1CC1CC1=CC=C(C(F)(F)F)C=C1	REAL000000008089	1	39	-1.0	-40.26	349.22	6.01	-34.25
O=C(CCC1=NNN=N1)NC1CC1CC1=CC=C(C(F)(F)F)C=C1	REAL000000008089	1	40	0.0	-11.85	350.57	6.16	-5.69
O=C(NC1CC1CC1=CC=C(C(F)(F)F)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008090	0	43	0.0	-10.41	382.68	6.72	-3.69
COC1=CC=C(CC2CCN2C(=O)CCCC2=NN=N[N-]2)C=C1	REAL000000008091	0	43	-1.0	-50.09	356.58	5.78	-44.31
COC1=CC=C(CC2CCN2C(=O)CCCC2=N[N-]N=N2)C=C1	REAL000000008091	1	43	-1.0	-50.08	356.53	5.78	-44.30
COC1=CC=C(CC2CCN2C(=O)CCCC2=NNN=N2)C=C1	REAL000000008091	1	44	0.0	-16.06	359.96	5.79	-10.27
COC1=CC=C(CC2CCN2C(=O)CCC2=NN=N[N-]2)C=C1	REAL000000008092	0	40	-1.0	-42.53	335.09	5.00	-37.53
COC1=CC=C(CC2CCN2C(=O)CCC2=N[N-]N=N2)C=C1	REAL000000008092	1	40	-1.0	-42.53	335.03	5.00	-37.53
COC1=CC=C(CC2CCN2C(=O)CCC2=NNN=N2)C=C1	REAL000000008092	1	41	0.0	-12.02	339.43	5.09	-6.93
COC1=CC=C(CC2CCN2C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000008093	0	47	0.0	-18.95	380.78	8.18	-10.77
COC1=CC=C(CC2CCN2C(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000008094	0	44	0.0	-12.24	367.91	5.71	-6.53
O=C(CCCC1=NN=N[N-]1)N1CCC(OCC2=CC=C(Cl)C(Cl)=C2)CC1	REAL000000008095	0	46	-1.0	-50.32	403.06	7.61	-42.70
O=C(CCCC1=N[N-]N=N1)N1CCC(OCC2=CC=C(Cl)C(Cl)=C2)CC1	REAL000000008095	1	46	-1.0	-50.30	403.00	7.61	-42.69
O=C(CCCC1=NNN=N1)N1CCC(OCC2=CC=C(Cl)C(Cl)=C2)CC1	REAL000000008095	1	47	0.0	-17.62	406.44	7.62	-10.00
O=C(CCC1=NN=N[N-]1)N1CCC(OCC2=CC=C(Cl)C(Cl)=C2)CC1	REAL000000008096	0	43	-1.0	-41.76	381.52	6.85	-34.90
O=C(CCC1=N[N-]N=N1)N1CCC(OCC2=CC=C(Cl)C(Cl)=C2)CC1	REAL000000008096	1	43	-1.0	-41.75	381.46	6.84	-34.91
O=C(CCC1=NNN=N1)N1CCC(OCC2=CC=C(Cl)C(Cl)=C2)CC1	REAL000000008096	1	44	0.0	-13.13	384.89	6.86	-6.27
COC(=O)C1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCCC1	REAL000000008097	0	45	0.0	-17.01	360.23	6.95	-10.07
COC(=O)C1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCCC1	REAL000000008098	0	42	0.0	-10.81	345.68	3.88	-6.93
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C=CC=C1C(F)(F)F	REAL000000008099	0	35	-1.0	-45.70	304.82	5.12	-40.58
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C=CC=C1C(F)(F)F	REAL000000008099	1	35	-1.0	-45.69	304.76	5.12	-40.58
CC1=C(NC(=O)CCCC2=NNN=N2)C=CC=C1C(F)(F)F	REAL000000008099	1	36	0.0	-13.79	308.22	5.13	-8.66
CC1=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=CC=C1C(F)(F)F	REAL000000008100	0	39	0.0	-14.28	333.10	7.87	-6.41
CC1=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=CC=C1C(F)(F)F	REAL000000008101	0	36	0.0	-8.33	317.84	4.87	-3.46
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL000000008102	0	51	0.0	-75.46	379.75	8.85	-66.61
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL000000008102	1	51	0.0	-75.38	379.33	8.78	-66.60
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL000000008102	1	51	0.0	-75.44	379.70	8.84	-66.60
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL000000008102	1	51	0.0	-75.36	379.27	8.77	-66.59
CN(C(=O)CCCC1=NNN=N1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL000000008102	1	52	1.0	-51.81	383.12	8.86	-42.95
CN(C(=O)CCCC1=NNN=N1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL000000008102	1	52	1.0	-51.81	383.08	8.86	-42.95
CN(C(=O)CCC1=NN=N[N-]1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL000000008103	0	48	0.0	-62.06	368.89	7.59	-54.47
CN(C(=O)CCC1=NN=N[N-]1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL000000008103	1	48	0.0	-62.06	368.83	7.59	-54.47
CN(C(=O)CCC1=N[N-]N=N1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL000000008103	1	48	0.0	-62.06	368.83	7.59	-54.46
CN(C(=O)CCC1=N[N-]N=N1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL000000008103	1	48	0.0	-62.05	368.78	7.60	-54.46
CN(C(=O)CCC1=NNN=N1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL000000008103	1	49	1.0	-44.12	372.27	7.60	-36.52
CN(C(=O)CCC1=NNN=N1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL000000008103	1	49	1.0	-44.28	372.23	7.61	-36.67
CN(C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL000000008104	0	55	1.0	-46.59	417.13	10.87	-35.72
CN(C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL000000008104	1	55	1.0	-48.97	417.09	10.87	-38.11
CN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL000000008105	0	52	1.0	-43.35	401.56	8.77	-34.58
CN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL000000008105	1	52	1.0	-43.38	401.47	8.77	-34.61
CC(NC(=O)OC(C)(C)C)C1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL000000008106	0	53	-1.0	-50.66	411.13	2.61	-48.05
CC(NC(=O)OC(C)(C)C)C1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL000000008106	1	53	-1.0	-50.64	411.07	2.61	-48.03
CC(NC(=O)OC(C)(C)C)C1CN(C(=O)CCCC2=NNN=N2)CCO1	REAL000000008106	1	54	0.0	-18.11	414.51	2.62	-15.49
CC(NC(=O)OC(C)(C)C)C1CN(C(=O)CCC2=NN=N[N-]2)CCO1	REAL000000008107	0	50	-1.0	-41.70	390.89	2.41	-39.29
CC(NC(=O)OC(C)(C)C)C1CN(C(=O)CCC2=N[N-]N=N2)CCO1	REAL000000008107	1	50	-1.0	-41.69	390.83	2.40	-39.29
CC(NC(=O)OC(C)(C)C)C1CN(C(=O)CCC2=NNN=N2)CCO1	REAL000000008107	1	51	0.0	-13.54	394.26	2.42	-11.12
O=C(CCCC1=NN=N[N-]1)NCCC1=C(F)C=CC=C1Cl	REAL000000008108	0	35	-1.0	-48.99	320.00	4.71	-44.27
O=C(CCCC1=N[N-]N=N1)NCCC1=C(F)C=CC=C1Cl	REAL000000008108	1	35	-1.0	-48.97	319.94	4.70	-44.27
O=C(CCCC1=NNN=N1)NCCC1=C(F)C=CC=C1Cl	REAL000000008108	1	36	0.0	-15.21	323.38	4.72	-10.48
O=C(NCCC1=C(F)C=CC=C1Cl)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008109	0	39	0.0	-16.99	348.50	7.57	-9.42
O=C(NCCC1=C(F)C=CC=C1Cl)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008110	0	36	0.0	-10.18	333.98	4.51	-5.68
O=C(NC1CCCC2OCCC21)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008111	0	44	0.0	-14.12	339.74	5.82	-8.29
O=C(NC1CCCC2OCCC21)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008112	0	41	0.0	-8.40	324.06	2.86	-5.53
CCCOC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(OC(F)F)=C1	REAL000000008113	0	46	-1.0	-49.41	390.16	4.13	-45.28
CCCOC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(OC(F)F)=C1	REAL000000008113	1	46	-1.0	-49.40	390.10	4.12	-45.28
CCCOC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(OC(F)F)=C1	REAL000000008113	1	47	0.0	-16.82	393.54	4.14	-12.68
CCCOC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C(OC(F)F)=C1	REAL000000008114	0	43	-1.0	-42.70	368.67	3.35	-39.35
CCCOC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C(OC(F)F)=C1	REAL000000008114	1	43	-1.0	-42.70	368.61	3.34	-39.36
CCCOC1=CC=C(CNC(=O)CCC2=NNN=N2)C(OC(F)F)=C1	REAL000000008114	1	44	0.0	-13.39	372.04	3.36	-10.03
O=C(CCCC1=NN=N[N-]1)N1CC(CC2=CC=C(C(F)(F)F)C=C2)C1	REAL000000008115	0	42	-1.0	-50.60	368.02	7.56	-43.04
O=C(CCCC1=N[N-]N=N1)N1CC(CC2=CC=C(C(F)(F)F)C=C2)C1	REAL000000008115	1	42	-1.0	-50.58	367.96	7.55	-43.03
O=C(CCCC1=NNN=N1)N1CC(CC2=CC=C(C(F)(F)F)C=C2)C1	REAL000000008115	1	43	0.0	-17.43	371.40	7.57	-9.86
O=C(CCC1=NN=N[N-]1)N1CC(CC2=CC=C(C(F)(F)F)C=C2)C1	REAL000000008116	0	39	-1.0	-43.44	346.52	6.77	-36.68
O=C(CCC1=N[N-]N=N1)N1CC(CC2=CC=C(C(F)(F)F)C=C2)C1	REAL000000008116	1	39	-1.0	-43.44	346.46	6.77	-36.67
O=C(CCC1=NNN=N1)N1CC(CC2=CC=C(C(F)(F)F)C=C2)C1	REAL000000008116	1	40	0.0	-13.28	349.90	6.78	-6.51
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CC(CC2=CC=C(C(F)(F)F)C=C2)C1	REAL000000008117	0	43	0.0	-13.24	379.34	7.41	-5.83
O=C(CCCC1=NN=N[N-]1)NCCNC1=CC=C(C2=CC=CC=C2)N=N1	REAL000000008118	0	45	-1.0	-55.97	381.15	4.05	-51.92
O=C(CCCC1=N[N-]N=N1)NCCNC1=CC=C(C2=CC=CC=C2)N=N1	REAL000000008118	1	45	-1.0	-55.95	381.09	4.04	-51.91
O=C(CCCC1=NNN=N1)NCCNC1=CC=C(C2=CC=CC=C2)N=N1	REAL000000008118	1	46	0.0	-23.50	384.53	4.06	-19.44
O=C(CCC1=NN=N[N-]1)NCCNC1=CC=C(C2=CC=CC=C2)N=N1	REAL000000008119	0	42	-1.0	-47.04	359.65	3.27	-43.77
O=C(CCC1=N[N-]N=N1)NCCNC1=CC=C(C2=CC=CC=C2)N=N1	REAL000000008119	1	42	-1.0	-47.03	359.60	3.26	-43.77
O=C(CCC1=NNN=N1)NCCNC1=CC=C(C2=CC=CC=C2)N=N1	REAL000000008119	1	43	0.0	-19.20	363.03	3.28	-15.92
O=C(NCCNC1=CC=C(C2=CC=CC=C2)N=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008120	0	46	0.0	-17.41	395.13	3.85	-13.56
CC1=C(C)NC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000008121	0	39	0.0	-17.26	329.16	4.13	-13.13
O=C(CC1CCCN1C(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL000000008122	0	44	-1.0	-50.13	359.80	7.11	-43.02
O=C(CC1CCCN1C(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL000000008122	1	44	-1.0	-50.12	359.74	7.11	-43.01
O=C(CC1CCCN1C(=O)CCCC1=NNN=N1)C1=CC=CC=C1	REAL000000008122	1	45	0.0	-17.53	363.00	7.13	-10.40
O=C(CC1CCCN1C(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL000000008123	0	41	-1.0	-41.89	338.23	6.33	-35.57
O=C(CC1CCCN1C(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL000000008123	1	41	-1.0	-41.89	338.17	6.33	-35.57
O=C(CC1CCCN1C(=O)CCC1=NNN=N1)C1=CC=CC=C1	REAL000000008123	1	42	0.0	-13.11	341.61	6.34	-6.77
O=C(CC1CCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC=C1	REAL000000008124	0	48	0.0	-21.76	385.09	9.46	-12.30
O=C(CC1CCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC=C1	REAL000000008125	0	45	0.0	-12.26	370.00	7.37	-4.89
O=C(CCCC1=NN=N[N-]1)N1CC(CC2=CC=CC=C2C(F)(F)F)C1	REAL000000008126	0	42	-1.0	-51.35	357.29	7.13	-44.22
O=C(CCCC1=N[N-]N=N1)N1CC(CC2=CC=CC=C2C(F)(F)F)C1	REAL000000008126	1	42	-1.0	-51.34	357.24	7.12	-44.22
O=C(CCCC1=NNN=N1)N1CC(CC2=CC=CC=C2C(F)(F)F)C1	REAL000000008126	1	43	0.0	-17.99	361.16	7.23	-10.76
O=C(CCC1=NN=N[N-]1)N1CC(CC2=CC=CC=C2C(F)(F)F)C1	REAL000000008127	0	39	-1.0	-42.88	335.79	6.35	-36.53
O=C(CCC1=N[N-]N=N1)N1CC(CC2=CC=CC=C2C(F)(F)F)C1	REAL000000008127	1	39	-1.0	-42.88	335.73	6.34	-36.54
O=C(CCC1=NNN=N1)N1CC(CC2=CC=CC=C2C(F)(F)F)C1	REAL000000008127	1	40	0.0	-13.48	339.17	6.36	-7.12
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CC(CC2=CC=CC=C2C(F)(F)F)C1	REAL000000008128	0	43	0.0	-13.08	369.48	7.08	-6.00
O=C(CCCC1=NN=N[N-]1)N1CC(CC2=CC=CC=C2OC(F)(F)F)C1	REAL000000008129	0	43	-1.0	-48.39	372.29	6.33	-42.06
O=C(CCCC1=N[N-]N=N1)N1CC(CC2=CC=CC=C2OC(F)(F)F)C1	REAL000000008129	1	43	-1.0	-48.38	372.24	6.34	-42.04
O=C(CCCC1=NNN=N1)N1CC(CC2=CC=CC=C2OC(F)(F)F)C1	REAL000000008129	1	44	0.0	-14.17	374.78	6.46	-7.71
O=C(CCC1=NN=N[N-]1)N1CC(CC2=CC=CC=C2OC(F)(F)F)C1	REAL000000008130	0	40	-1.0	-43.03	349.90	5.67	-37.36
O=C(CCC1=N[N-]N=N1)N1CC(CC2=CC=CC=C2OC(F)(F)F)C1	REAL000000008130	1	40	-1.0	-43.03	349.84	5.67	-37.36
O=C(CCC1=NNN=N1)N1CC(CC2=CC=CC=C2OC(F)(F)F)C1	REAL000000008130	1	41	0.0	-10.88	353.28	5.67	-5.21
O=C(CCCC1=NN=N[N-]1)N1CC(CC2=CC=CC(OC(F)(F)F)=C2)C1	REAL000000008131	0	43	-1.0	-49.83	375.21	6.26	-43.57
O=C(CCCC1=N[N-]N=N1)N1CC(CC2=CC=CC(OC(F)(F)F)=C2)C1	REAL000000008131	1	43	-1.0	-49.82	375.15	6.25	-43.57
O=C(CCCC1=NNN=N1)N1CC(CC2=CC=CC(OC(F)(F)F)=C2)C1	REAL000000008131	1	44	0.0	-16.13	378.58	6.36	-9.78
O=C(CCC1=NN=N[N-]1)N1CC(CC2=CC=CC(OC(F)(F)F)=C2)C1	REAL000000008132	0	40	-1.0	-42.97	353.71	5.47	-37.50
O=C(CCC1=N[N-]N=N1)N1CC(CC2=CC=CC(OC(F)(F)F)=C2)C1	REAL000000008132	1	40	-1.0	-42.97	353.65	5.47	-37.50
O=C(CCC1=NNN=N1)N1CC(CC2=CC=CC(OC(F)(F)F)=C2)C1	REAL000000008132	1	41	0.0	-13.44	357.10	5.49	-7.95
O=C(CCCC1=NN=N[N-]1)N1CCCCCC1C1CCCCC1=O	REAL000000008133	0	50	-1.0	-45.95	365.82	8.06	-37.89
O=C(CCCC1=N[N-]N=N1)N1CCCCCC1C1CCCCC1=O	REAL000000008133	1	50	-1.0	-45.94	365.76	8.05	-37.89
O=C(CCCC1=NNN=N1)N1CCCCCC1C1CCCCC1=O	REAL000000008133	1	51	0.0	-11.29	368.43	8.12	-3.17
O=C(CCC1=NN=N[N-]1)N1CCCCCC1C1CCCCC1=O	REAL000000008134	0	47	-1.0	-37.61	342.65	6.69	-30.92
O=C(CCC1=N[N-]N=N1)N1CCCCCC1C1CCCCC1=O	REAL000000008134	1	47	-1.0	-37.60	342.60	6.68	-30.92
O=C(CCC1=NNN=N1)N1CCCCCC1C1CCCCC1=O	REAL000000008134	1	48	0.0	-8.87	346.88	7.33	-1.54
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCCCCC1C1CCCCC1=O	REAL000000008135	0	54	0.0	-12.16	388.84	9.89	-2.27
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCCCCC1C1CCCCC1=O	REAL000000008136	0	51	0.0	-9.89	377.13	8.32	-1.57
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC2(CCOC2=O)CC1	REAL000000008137	0	43	0.0	-24.58	336.45	6.86	-17.72
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2(CCOC2=O)CC1	REAL000000008138	0	40	0.0	-16.50	320.06	4.57	-11.94
O=C(CCCC1=NN=N[N-]1)N1CCCN(C(=O)CC2=CC=CC(F)=C2)CC1	REAL000000008139	0	49	-1.0	-57.75	397.71	7.78	-49.97
O=C(CCCC1=N[N-]N=N1)N1CCCN(C(=O)CC2=CC=CC(F)=C2)CC1	REAL000000008139	1	49	-1.0	-57.73	397.66	7.78	-49.95
O=C(CCCC1=NNN=N1)N1CCCN(C(=O)CC2=CC=CC(F)=C2)CC1	REAL000000008139	1	50	0.0	-26.78	401.10	7.79	-18.99
O=C(CCC1=NN=N[N-]1)N1CCCN(C(=O)CC2=CC=CC(F)=C2)CC1	REAL000000008140	0	46	-1.0	-45.98	376.22	7.00	-38.98
O=C(CCC1=N[N-]N=N1)N1CCCN(C(=O)CC2=CC=CC(F)=C2)CC1	REAL000000008140	1	46	-1.0	-45.98	376.16	7.00	-38.98
O=C(CCC1=NNN=N1)N1CCCN(C(=O)CC2=CC=CC(F)=C2)CC1	REAL000000008140	1	47	0.0	-20.76	379.60	7.01	-13.75
O=C(CCCC1=NN=N[N-]1)N1CCCC(CNC(=O)C2=CC=CC=C2)C1	REAL000000008141	0	49	-1.0	-54.37	392.23	5.79	-48.58
O=C(CCCC1=N[N-]N=N1)N1CCCC(CNC(=O)C2=CC=CC=C2)C1	REAL000000008141	1	49	-1.0	-54.35	392.17	5.79	-48.57
O=C(CCCC1=NNN=N1)N1CCCC(CNC(=O)C2=CC=CC=C2)C1	REAL000000008141	1	50	0.0	-21.46	395.61	5.80	-15.66
O=C(CCC1=NN=N[N-]1)N1CCCC(CNC(=O)C2=CC=CC=C2)C1	REAL000000008142	0	46	-1.0	-43.08	370.92	4.98	-38.10
O=C(CCC1=N[N-]N=N1)N1CCCC(CNC(=O)C2=CC=CC=C2)C1	REAL000000008142	1	46	-1.0	-43.08	370.87	4.97	-38.10
O=C(CCC1=NNN=N1)N1CCCC(CNC(=O)C2=CC=CC=C2)C1	REAL000000008142	1	47	0.0	-14.58	374.31	4.99	-9.59
O=C(NCC1CCCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1)C1=CC=CC=C1	REAL000000008143	0	50	0.0	-13.99	403.97	5.97	-8.02
CN1CCC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2C1=O	REAL000000008144	0	40	-1.0	-65.20	332.53	3.90	-61.29
CN1CCC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2C1=O	REAL000000008144	1	40	-1.0	-65.18	332.48	3.91	-61.28
CN1CCC2=CC=C(NC(=O)CCCC3=NNN=N3)C=C2C1=O	REAL000000008144	1	41	0.0	-28.00	335.91	3.91	-24.08
CN1CCC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2C1=O	REAL000000008145	0	37	-1.0	-54.72	311.03	3.12	-51.60
CN1CCC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2C1=O	REAL000000008145	1	37	-1.0	-54.73	310.98	3.13	-51.60
CN1CCC2=CC=C(NC(=O)CCC3=NNN=N3)C=C2C1=O	REAL000000008145	1	38	0.0	-22.92	314.41	3.13	-19.78
CN1CCC2=CC=C(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)C=C2C1=O	REAL000000008146	0	44	0.0	-30.82	361.10	6.77	-24.06
CN1CCC2=CC=C(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)C=C2C1=O	REAL000000008147	0	41	0.0	-21.31	346.49	3.70	-17.61
CCC1(CC)CN(C(=O)CCCC2=NN=N[N-]2)C2=CC=C(Br)C=C21	REAL000000008148	0	45	-1.0	-44.42	367.49	8.04	-36.38
CCC1(CC)CN(C(=O)CCCC2=N[N-]N=N2)C2=CC=C(Br)C=C21	REAL000000008148	1	45	-1.0	-44.41	367.43	8.04	-36.36
CCC1(CC)CN(C(=O)CCCC2=NNN=N2)C2=CC=C(Br)C=C21	REAL000000008148	1	46	0.0	-12.04	370.87	8.05	-3.99
CCC1(CC)CN(C(=O)CCC2=NN=N[N-]2)C2=CC=C(Br)C=C21	REAL000000008149	0	42	-1.0	-38.36	345.99	7.26	-31.10
CCC1(CC)CN(C(=O)CCC2=N[N-]N=N2)C2=CC=C(Br)C=C21	REAL000000008149	1	42	-1.0	-38.36	345.93	7.26	-31.10
CCC1(CC)CN(C(=O)CCC2=NNN=N2)C2=CC=C(Br)C=C21	REAL000000008149	1	43	0.0	-7.90	349.36	7.27	-0.63
CCC(NC(=O)CCCC1=NN=N[N-]1)C1CN(CC2=CC=CC=C2)CCO1	REAL000000008150	0	54	-1.0	-45.31	418.57	4.52	-40.79
CCC(NC(=O)CCCC1=N[N-]N=N1)C1CN(CC2=CC=CC=C2)CCO1	REAL000000008150	1	54	-1.0	-45.29	418.51	4.51	-40.78
CCC(NC(=O)CCC1=NN=N[N-]1)C1CN(CC2=CC=CC=C2)CCO1	REAL000000008151	0	51	-1.0	-39.87	398.30	3.59	-36.29
CCC(NC(=O)CCC1=N[N-]N=N1)C1CN(CC2=CC=CC=C2)CCO1	REAL000000008151	1	51	-1.0	-39.87	398.24	3.59	-36.28
O=C(CCCC1=NN=N[N-]1)NCC1=NC=CN1CCC1=CC=CC=C1	REAL000000008152	0	45	-1.0	-49.56	381.63	6.60	-42.95
O=C(CCCC1=N[N-]N=N1)NCC1=NC=CN1CCC1=CC=CC=C1	REAL000000008152	1	45	-1.0	-49.54	381.57	6.60	-42.94
O=C(CCCC1=NNN=N1)NCC1=NC=CN1CCC1=CC=CC=C1	REAL000000008152	1	46	0.0	-15.92	385.06	6.59	-9.32
O=C(CCC1=NN=N[N-]1)NCC1=NC=CN1CCC1=CC=CC=C1	REAL000000008153	0	42	-1.0	-42.97	360.13	5.82	-37.15
O=C(CCC1=N[N-]N=N1)NCC1=NC=CN1CCC1=CC=CC=C1	REAL000000008153	1	42	-1.0	-42.97	360.08	5.82	-37.15
O=C(CCC1=NNN=N1)NCC1=NC=CN1CCC1=CC=CC=C1	REAL000000008153	1	43	0.0	-12.70	363.56	5.82	-6.89
O=C(NCC1=NC=CN1CCC1=CC=CC=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008154	0	49	0.0	-17.12	410.61	9.42	-7.70
O=C(NCC1=NC=CN1CCC1=CC=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008155	0	46	0.0	-12.00	395.66	6.39	-5.61
O=C(CCCC1=NN=N[N-]1)NCC1=NC=CN1CCCC1=CC=CC=C1	REAL000000008156	0	48	-1.0	-49.88	403.13	7.39	-42.49
O=C(CCCC1=N[N-]N=N1)NCC1=NC=CN1CCCC1=CC=CC=C1	REAL000000008156	1	48	-1.0	-49.88	403.07	7.39	-42.49
O=C(CCCC1=NNN=N1)NCC1=NC=CN1CCCC1=CC=CC=C1	REAL000000008156	1	49	0.0	-16.27	406.56	7.38	-8.89
O=C(CCC1=NN=N[N-]1)NCC1=NC=CN1CCCC1=CC=CC=C1	REAL000000008157	0	45	-1.0	-44.58	381.63	6.61	-37.97
O=C(CCC1=N[N-]N=N1)NCC1=NC=CN1CCCC1=CC=CC=C1	REAL000000008157	1	45	-1.0	-44.58	381.57	6.61	-37.97
O=C(CCC1=NNN=N1)NCC1=NC=CN1CCCC1=CC=CC=C1	REAL000000008157	1	46	0.0	-13.40	385.06	6.60	-6.80
O=C(NCC1=NC=CN1CCCC1=CC=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008158	0	49	0.0	-12.88	417.10	7.18	-5.70
CCC(CNC(=O)CCCC1=NN=N[N-]1)OC1=CC=CC(Cl)=C1	REAL000000008159	0	42	-1.0	-46.39	358.56	4.76	-41.63
CCC(CNC(=O)CCCC1=N[N-]N=N1)OC1=CC=CC(Cl)=C1	REAL000000008159	1	42	-1.0	-46.38	358.50	4.75	-41.63
CCC(CNC(=O)CCCC1=NNN=N1)OC1=CC=CC(Cl)=C1	REAL000000008159	1	43	0.0	-13.27	361.93	4.77	-8.50
CCC(CNC(=O)CCC1=NN=N[N-]1)OC1=CC=CC(Cl)=C1	REAL000000008160	0	39	-1.0	-39.68	337.06	3.98	-35.70
CCC(CNC(=O)CCC1=N[N-]N=N1)OC1=CC=CC(Cl)=C1	REAL000000008160	1	39	-1.0	-39.67	337.00	3.97	-35.70
CCC(CNC(=O)CCC1=NNN=N1)OC1=CC=CC(Cl)=C1	REAL000000008160	1	40	0.0	-9.82	340.43	3.99	-5.84
CCC(CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)OC1=CC=CC(Cl)=C1	REAL000000008161	0	46	0.0	-15.76	386.89	7.67	-8.09
CCC(CNC(=O)C1=CC=C(C2=NNN=N2)C=N1)OC1=CC=CC(Cl)=C1	REAL000000008162	0	43	0.0	-10.34	372.23	4.60	-5.73
COC(=O)CN(CCC(F)(F)F)C(=O)CCCC1=NN=N[N-]1	REAL000000008163	0	37	-1.0	-50.93	331.35	5.04	-45.89
COC(=O)CN(CCC(F)(F)F)C(=O)CCCC1=N[N-]N=N1	REAL000000008163	1	37	-1.0	-50.92	331.29	5.03	-45.89
COC(=O)CN(CCC(F)(F)F)C(=O)CCCC1=NNN=N1	REAL000000008163	1	38	0.0	-17.99	334.73	5.05	-12.94
COC(=O)CN(CCC(F)(F)F)C(=O)CCC1=NN=N[N-]1	REAL000000008164	0	34	-1.0	-45.13	309.87	4.26	-40.87
COC(=O)CN(CCC(F)(F)F)C(=O)CCC1=N[N-]N=N1	REAL000000008164	1	34	-1.0	-45.12	309.81	4.25	-40.87
COC(=O)CN(CCC(F)(F)F)C(=O)CCC1=NNN=N1	REAL000000008164	1	35	0.0	-14.16	313.23	4.27	-9.90
COC(=O)CN(CCC(F)(F)F)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008165	0	41	0.0	-17.95	358.21	7.45	-10.49
COC(=O)CN(CCC(F)(F)F)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008166	0	38	0.0	-14.03	342.07	5.69	-8.34
COCCC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCC1	REAL000000008167	0	46	0.0	-15.10	363.50	5.59	-9.51
COCCC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCC1	REAL000000008168	0	43	0.0	-8.88	348.86	2.56	-6.32
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)CCCC1=NN=N[N-]1	REAL000000008169	0	50	0.0	-67.18	397.94	8.17	-59.01
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)CCCC1=N[N-]N=N1	REAL000000008169	1	50	0.0	-67.16	397.89	8.16	-59.00
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)CCCC1=NNN=N1	REAL000000008169	1	51	1.0	-40.44	390.14	7.67	-32.77
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)CCC1=NN=N[N-]1	REAL000000008170	0	47	0.0	-65.17	372.11	7.12	-58.05
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)CCC1=N[N-]N=N1	REAL000000008170	1	47	0.0	-65.17	372.05	7.11	-58.06
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)CCC1=NNN=N1	REAL000000008170	1	48	1.0	-44.10	375.49	7.13	-36.97
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008171	0	54	1.0	-41.69	418.43	10.14	-31.55
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008172	0	51	1.0	-38.39	405.04	8.94	-29.45
CC(C)[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL000000008173	0	46	-1.0	-44.45	356.61	4.68	-39.77
CC(C)[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL000000008173	1	46	-1.0	-44.44	356.55	4.68	-39.75
CC(C)[C@H](NC(=O)CCCC1=NNN=N1)C(=O)OC(C)(C)C	REAL000000008173	1	47	0.0	-11.15	359.99	4.69	-6.46
CC(C)[C@H](NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(=O)OC(C)(C)C	REAL000000008174	0	50	0.0	-12.24	388.20	7.78	-4.46
CC(C)[C@H](NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(=O)OC(C)(C)C	REAL000000008175	0	47	0.0	-8.13	370.58	4.48	-3.65
COC(=O)C(C1=CC=CC=C1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL000000008176	0	41	-1.0	-48.52	342.81	6.14	-42.38
COC(=O)C(C1=CC=CC=C1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL000000008176	1	41	-1.0	-48.51	342.76	6.13	-42.38
COC(=O)C(C1=CC=CC=C1)N(C)C(=O)CCCC1=NNN=N1	REAL000000008176	1	42	0.0	-14.45	346.27	6.09	-8.36
COC(=O)C(C1=CC=CC=C1)N(C)C(=O)CCC1=NN=N[N-]1	REAL000000008177	0	38	-1.0	-41.38	318.22	5.18	-36.20
COC(=O)C(C1=CC=CC=C1)N(C)C(=O)CCC1=N[N-]N=N1	REAL000000008177	1	38	-1.0	-41.38	318.16	5.18	-36.19
COC(=O)C(C1=CC=CC=C1)N(C)C(=O)CCC1=NNN=N1	REAL000000008177	1	39	0.0	-10.49	324.77	5.31	-5.18
COC(=O)C(C1=CC=CC=C1)N(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008178	0	45	0.0	-15.56	370.60	8.52	-7.04
COC(=O)C(C1=CC=CC=C1)N(C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008179	0	42	0.0	-11.07	351.19	6.31	-4.76
O=C(CCCC1=NN=N[N-]1)NCC1=CSC(CCC2=CC=CC=C2)=N1	REAL000000008180	0	44	-1.0	-48.43	388.59	5.73	-42.70
O=C(CCCC1=N[N-]N=N1)NCC1=CSC(CCC2=CC=CC=C2)=N1	REAL000000008180	1	44	-1.0	-48.42	388.54	5.73	-42.69
O=C(CCCC1=NNN=N1)NCC1=CSC(CCC2=CC=CC=C2)=N1	REAL000000008180	1	45	0.0	-15.02	391.97	5.74	-9.29
O=C(CCC1=NN=N[N-]1)NCC1=CSC(CCC2=CC=CC=C2)=N1	REAL000000008181	0	41	-1.0	-41.59	367.10	4.95	-36.64
O=C(CCC1=N[N-]N=N1)NCC1=CSC(CCC2=CC=CC=C2)=N1	REAL000000008181	1	41	-1.0	-41.58	367.04	4.95	-36.63
O=C(CCC1=NNN=N1)NCC1=CSC(CCC2=CC=CC=C2)=N1	REAL000000008181	1	42	0.0	-11.17	370.48	4.96	-6.21
O=C(NCC1=CSC(CCC2=CC=CC=C2)=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008182	0	45	0.0	-10.79	402.57	5.52	-5.27
O=C(CCCC1=NN=N[N-]1)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL000000008183	0	55	0.0	-71.76	392.98	5.05	-66.71
O=C(CCC1=NN=N[N-]1)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL000000008184	0	52	0.0	-61.76	370.75	4.17	-57.60
O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008185	0	59	1.0	-45.62	420.81	7.81	-37.81
O=C(NCC1(CN2CCOCC2)CCCCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008185	1	58	0.0	-15.42	422.78	6.16	-9.26
O=C(NCC1(CN2CCOCC2)CCCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008186	0	55	0.0	-8.81	407.68	3.15	-5.67
O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008186	1	56	1.0	-42.00	405.91	4.72	-37.28
CC1=CC=CC=C1CCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008187	0	42	0.0	-16.85	344.51	7.58	-9.28
CC1=CC=CC=C1CCNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008188	0	39	0.0	-9.70	329.95	4.51	-5.20
CC1(C)OCC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)O1	REAL000000008189	0	41	0.0	-15.76	338.48	3.67	-12.09
CC1(C)OCC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)O1	REAL000000008190	0	38	0.0	-9.69	323.52	0.65	-9.04
NC(=O)CCNC(=O)C(CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL000000008191	0	49	-1.0	-57.56	407.75	0.10	-57.45
NC(=O)CCNC(=O)C(CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL000000008191	1	49	-1.0	-57.55	407.69	0.11	-57.45
NC(=O)CCNC(=O)C(CC1=CC=CC=C1)NC(=O)CCCC1=NNN=N1	REAL000000008191	1	50	0.0	-23.04	411.12	0.11	-22.93
NC(=O)CCNC(=O)C(CC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL000000008192	0	46	-1.0	-53.69	386.28	-0.68	-54.37
NC(=O)CCNC(=O)C(CC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL000000008192	1	46	-1.0	-53.69	386.23	-0.69	-54.38
NC(=O)CCNC(=O)C(CC1=CC=CC=C1)NC(=O)CCC1=NNN=N1	REAL000000008192	1	47	0.0	-20.85	389.62	-0.67	-21.52
COCCOC1=CC=CC=C1N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL000000008193	0	52	-1.0	-49.82	409.51	4.35	-45.47
COCCOC1=CC=CC=C1N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL000000008193	1	52	-1.0	-49.81	409.46	4.36	-45.45
COCCOC1=CC=CC=C1N1CCN(C(=O)CCCC2=NNN=N2)CC1	REAL000000008193	1	53	0.0	-17.98	412.93	4.38	-13.59
COCCOC1=CC=CC=C1N1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL000000008194	0	49	-1.0	-42.71	393.05	3.63	-39.08
COCCOC1=CC=CC=C1N1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL000000008194	1	49	-1.0	-42.71	393.00	3.63	-39.08
COCCOC1=CC=CC=C1N1CCN(C(=O)CCC2=NNN=N2)CC1	REAL000000008194	1	50	0.0	-12.47	396.43	3.64	-8.83
CC(CC(O)C1=CC=CO1)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008195	0	43	0.0	-18.37	358.75	4.44	-13.93
CC(CC(O)C1=CC=CO1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008196	0	40	0.0	-11.54	344.21	1.38	-10.16
CN(CC1=NC(C(F)(F)F)=CS1)C(=O)CCCC1=NN=N[N-]1	REAL000000008197	0	34	-1.0	-44.85	322.70	3.80	-41.05
CN(CC1=NC(C(F)(F)F)=CS1)C(=O)CCCC1=N[N-]N=N1	REAL000000008197	1	34	-1.0	-44.85	322.65	3.80	-41.05
CN(CC1=NC(C(F)(F)F)=CS1)C(=O)CCCC1=NNN=N1	REAL000000008197	1	35	0.0	-13.14	326.08	3.81	-9.33
CN(CC1=NC(C(F)(F)F)=CS1)C(=O)CCC1=NN=N[N-]1	REAL000000008198	0	31	-1.0	-46.78	301.47	3.02	-43.76
CN(CC1=NC(C(F)(F)F)=CS1)C(=O)CCC1=N[N-]N=N1	REAL000000008198	1	31	-1.0	-46.79	301.42	3.03	-43.76
CN(CC1=NC(C(F)(F)F)=CS1)C(=O)CCC1=NNN=N1	REAL000000008198	1	32	0.0	-16.16	304.85	3.03	-13.13
CN(CC1=NC(C(F)(F)F)=CS1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008199	0	38	0.0	-10.94	349.18	6.25	-4.69
CN(CC1=NC(C(F)(F)F)=CS1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008200	0	35	0.0	-15.23	334.12	4.11	-11.11
COC(=O)C1(F)CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000008201	0	39	0.0	-16.87	326.52	5.82	-11.05
COC(=O)C1(F)CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000008202	0	36	0.0	-10.87	313.49	3.76	-7.11
COC1=C(F)C=C(F)C=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008203	0	37	0.0	-13.64	327.46	5.91	-7.72
COC1=C(F)C=C(F)C=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008204	0	34	0.0	-8.05	311.58	2.83	-5.22
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)CCCC1=NN=N[N-]1	REAL000000008205	0	54	0.0	-71.83	409.43	8.29	-63.54
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)CCCC1=N[N-]N=N1	REAL000000008205	1	54	0.0	-71.82	409.37	8.28	-63.54
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)CCCC1=NNN=N1	REAL000000008205	1	55	1.0	-47.82	412.81	8.30	-39.52
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)CCC1=NN=N[N-]1	REAL000000008206	0	51	0.0	-64.97	387.93	7.51	-57.47
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)CCC1=N[N-]N=N1	REAL000000008206	1	51	0.0	-64.97	387.87	7.50	-57.47
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)CCC1=NNN=N1	REAL000000008206	1	52	1.0	-44.79	391.31	7.52	-37.27
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008207	0	55	1.0	-43.12	414.24	7.43	-35.69
O=C(NCCC1=CC=C(Cl)N=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008208	0	38	0.0	-20.32	340.88	5.75	-14.57
O=C(NCCC1=CC=C(Cl)N=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008209	0	35	0.0	-12.95	326.33	2.68	-10.27
COC1=CC=CC(C=C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=C1	REAL000000008210	0	47	-1.0	-48.34	372.55	6.98	-41.36
COC1=CC=CC(C=C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=C1	REAL000000008210	1	47	-1.0	-48.32	372.50	6.98	-41.35
COC1=CC=CC(C=C2CCN(C(=O)CCCC3=NNN=N3)CC2)=C1	REAL000000008210	1	48	0.0	-15.83	375.93	6.99	-8.84
COC1=CC=CC(C=C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=C1	REAL000000008211	0	44	-1.0	-40.67	351.02	6.18	-34.49
COC1=CC=CC(C=C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=C1	REAL000000008211	1	44	-1.0	-40.67	350.96	6.18	-34.49
COC1=CC=CC(C=C2CCN(C(=O)CCC3=NNN=N3)CC2)=C1	REAL000000008211	1	45	0.0	-11.35	354.34	6.20	-5.15
COC1=CC=CC(C=C2CCN(C(=O)C3=CC=CC(NC4=NNN=N4)=C3)CC2)=C1	REAL000000008212	0	51	0.0	-16.71	400.39	9.48	-7.24
COC1=CC=CC(C=C2CCN(C(=O)C3=CC=C(C4=NNN=N4)C=N3)CC2)=C1	REAL000000008213	0	48	0.0	-10.80	384.39	7.23	-3.57
O=C(CCCC1=NN=N[N-]1)NCCCOC1CC[NH+](CC2=CC=CC=C2)CC1	REAL000000008214	0	58	0.0	-74.24	453.79	7.38	-66.86
O=C(CCCC1=N[N-]N=N1)NCCCOC1CC[NH+](CC2=CC=CC=C2)CC1	REAL000000008214	1	58	0.0	-74.22	453.73	7.38	-66.85
O=C(CCCC1=NNN=N1)NCCCOC1CC[NH+](CC2=CC=CC=C2)CC1	REAL000000008214	1	59	1.0	-49.19	457.16	7.39	-41.80
O=C(CCC1=NN=N[N-]1)NCCCOC1CC[NH+](CC2=CC=CC=C2)CC1	REAL000000008215	0	55	0.0	-66.97	432.29	6.60	-60.37
O=C(CCC1=N[N-]N=N1)NCCCOC1CC[NH+](CC2=CC=CC=C2)CC1	REAL000000008215	1	55	0.0	-66.95	432.23	6.60	-60.36
O=C(CCC1=NNN=N1)NCCCOC1CC[NH+](CC2=CC=CC=C2)CC1	REAL000000008215	1	56	1.0	-45.53	435.66	6.61	-38.93
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(OCCC(C)C)=C1	REAL000000008216	0	51	-1.0	-47.93	411.41	6.54	-41.40
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(OCCC(C)C)=C1	REAL000000008216	1	51	-1.0	-47.92	411.35	6.53	-41.39
CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(OCCC(C)C)=C1	REAL000000008216	1	52	0.0	-13.76	414.78	6.55	-7.22
CC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C(OCCC(C)C)=C1	REAL000000008217	0	48	-1.0	-40.90	389.91	5.76	-35.14
CC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C(OCCC(C)C)=C1	REAL000000008217	1	48	-1.0	-40.89	389.85	5.75	-35.14
CC1=CC=C(CNC(=O)CCC2=NNN=N2)C(OCCC(C)C)=C1	REAL000000008217	1	49	0.0	-10.00	393.29	5.77	-4.23
CC1=CC=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(OCCC(C)C)=C1	REAL000000008218	0	55	0.0	-15.81	439.90	9.40	-6.41
CC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(OCCC(C)C)=C1	REAL000000008219	0	52	0.0	-9.72	425.38	6.33	-3.39
COC(=O)C1(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCOC1	REAL000000008220	0	40	0.0	-16.51	326.65	4.14	-12.37
COC(=O)C1(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCOC1	REAL000000008221	0	37	0.0	-10.67	312.10	1.07	-9.61
CN(CCOCC1CC1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008222	0	43	0.0	-14.91	349.96	6.75	-8.16
CN(CCOCC1CC1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008223	0	40	0.0	-8.86	334.48	4.67	-4.19
CS(=O)(=O)C1=CC=CC=C1NNC(=O)CCCC1=NN=N[N-]1	REAL000000008224	0	37	-1.0	-55.74	323.37	0.81	-54.92
CS(=O)(=O)C1=CC=CC=C1NNC(=O)CCCC1=N[N-]N=N1	REAL000000008224	1	37	-1.0	-55.72	323.31	0.81	-54.92
CS(=O)(=O)C1=CC=CC=C1NNC(=O)CCCC1=NNN=N1	REAL000000008224	1	38	0.0	-23.86	326.74	0.82	-23.03
CS(=O)(=O)C1=CC=CC=C1NNC(=O)CCC1=NN=N[N-]1	REAL000000008225	0	34	-1.0	-46.34	301.86	0.03	-46.31
CS(=O)(=O)C1=CC=CC=C1NNC(=O)CCC1=N[N-]N=N1	REAL000000008225	1	34	-1.0	-46.33	301.80	0.02	-46.31
CS(=O)(=O)C1=CC=CC=C1NNC(=O)CCC1=NNN=N1	REAL000000008225	1	35	0.0	-19.02	305.25	0.04	-18.98
CS(=O)(=O)C1=CC=CC=C1NNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008226	0	41	0.0	-24.61	352.28	3.58	-21.02
CS(=O)(=O)C1=CC=CC=C1NNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008227	0	38	0.0	-17.06	337.33	0.59	-16.47
O=C(CCCC1=NN=N[N-]1)NN=C1N=CNC2=C1SC=C2	REAL000000008228	0	32	-1.0	-63.42	300.44	3.61	-59.81
O=C(CCCC1=N[N-]N=N1)NN=C1N=CNC2=C1SC=C2	REAL000000008228	1	32	-1.0	-63.41	300.39	3.60	-59.81
O=C(CCCC1=NNN=N1)NN=C1N=CNC2=C1SC=C2	REAL000000008228	1	33	0.0	-27.25	303.82	3.62	-23.63
O=C(NN=C1N=CNC2=C1SC=C2)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008229	0	36	0.0	-30.52	329.39	6.38	-24.14
O=C(NN=C1N=CNC2=C1SC=C2)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008230	0	33	0.0	-23.38	314.44	3.38	-20.01
CCCOC1=CC(C)=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL000000008231	0	45	-1.0	-47.99	372.34	5.22	-42.76
CCCOC1=CC(C)=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL000000008231	1	45	-1.0	-47.97	372.28	5.22	-42.75
CCCOC1=CC(C)=CC=C1CNC(=O)CCCC1=NNN=N1	REAL000000008231	1	46	0.0	-13.89	375.72	5.23	-8.66
CCCOC1=CC(C)=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL000000008232	0	42	-1.0	-40.94	350.84	4.44	-36.50
CCCOC1=CC(C)=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL000000008232	1	42	-1.0	-40.94	350.79	4.45	-36.50
CCCOC1=CC(C)=CC=C1CNC(=O)CCC1=NNN=N1	REAL000000008232	1	43	0.0	-10.13	354.22	4.45	-5.68
CCCOC1=CC(C)=CC=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008233	0	49	0.0	-15.95	400.83	8.09	-7.86
CCCOC1=CC(C)=CC=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008234	0	46	0.0	-9.86	386.31	5.03	-4.83
CCOC1=CC=C(C(C)NC(=O)CCCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL000000008235	0	55	-1.0	-51.92	450.59	4.51	-47.41
CCOC1=CC=C(C(C)NC(=O)CCCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL000000008235	1	55	-1.0	-51.91	450.54	4.51	-47.40
CCOC1=CC=C(C(C)NC(=O)CCCNC(=O)CCCC2=NNN=N2)C=C1	REAL000000008235	1	56	0.0	-19.05	453.97	4.52	-14.53
CCOC1=CC=C(C(C)NC(=O)CCCNC(=O)CCC2=NN=N[N-]2)C=C1	REAL000000008236	0	52	-1.0	-45.76	429.09	3.73	-42.03
CCOC1=CC=C(C(C)NC(=O)CCCNC(=O)CCC2=N[N-]N=N2)C=C1	REAL000000008236	1	52	-1.0	-45.76	429.04	3.73	-42.03
CCOC1=CC=C(C(C)NC(=O)CCCNC(=O)CCC2=NNN=N2)C=C1	REAL000000008236	1	53	0.0	-15.73	432.47	3.74	-11.99
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL000000008239	0	42	0.0	-17.74	350.75	8.86	-8.88
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL000000008240	0	39	0.0	-12.69	334.83	6.73	-5.96
CN1N=C(C2CCCCC2)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000008241	0	45	-1.0	-50.23	357.11	5.81	-44.41
CN1N=C(C2CCCCC2)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000008241	1	45	-1.0	-50.22	357.05	5.81	-44.41
CN1N=C(C2CCCCC2)C=C1NC(=O)CCCC1=NNN=N1	REAL000000008241	1	46	0.0	-17.97	360.49	5.82	-12.15
CN1N=C(C2CCCCC2)C=C1NC(=O)CCC1=NN=N[N-]1	REAL000000008242	0	42	-1.0	-40.92	335.61	5.04	-35.89
CN1N=C(C2CCCCC2)C=C1NC(=O)CCC1=N[N-]N=N1	REAL000000008242	1	42	-1.0	-40.92	335.56	5.03	-35.90
CN1N=C(C2CCCCC2)C=C1NC(=O)CCC1=NNN=N1	REAL000000008242	1	43	0.0	-13.52	338.99	5.04	-8.48
CN1N=C(C2CCCCC2)C=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008243	0	49	0.0	-18.31	385.71	8.66	-9.65
CN1N=C(C2CCCCC2)C=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008244	0	46	0.0	-11.18	371.12	5.60	-5.58
CC(C)C1=CSC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000008245	0	41	0.0	-15.11	353.66	5.35	-9.77
CC(C)C1=CSC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000008246	0	38	0.0	-9.51	339.13	2.28	-7.22
O=C(CCCC1=NN=N[N-]1)NCCN1C(=O)C2C3C=CC(C3)C2C1=O	REAL000000008247	0	44	-1.0	-54.09	361.14	3.41	-50.68
O=C(CCCC1=N[N-]N=N1)NCCN1C(=O)C2C3C=CC(C3)C2C1=O	REAL000000008247	1	44	-1.0	-54.08	361.09	3.41	-50.66
O=C(CCCC1=NNN=N1)NCCN1C(=O)C2C3C=CC(C3)C2C1=O	REAL000000008247	1	45	0.0	-20.16	364.53	3.42	-16.74
O=C(CCC1=NN=N[N-]1)NCCN1C(=O)C2C3C=CC(C3)C2C1=O	REAL000000008248	0	41	-1.0	-46.61	339.65	2.63	-43.98
O=C(CCC1=N[N-]N=N1)NCCN1C(=O)C2C3C=CC(C3)C2C1=O	REAL000000008248	1	41	-1.0	-46.60	339.59	2.63	-43.97
O=C(CCC1=NNN=N1)NCCN1C(=O)C2C3C=CC(C3)C2C1=O	REAL000000008248	1	42	0.0	-16.09	343.05	2.65	-13.45
O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008249	0	48	0.0	-21.92	389.67	6.28	-15.64
O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008250	0	45	0.0	-15.07	375.15	3.21	-11.86
O=C(CCCC1=NN=N[N-]1)N1CC2=CC(Cl)=CC=C2CC1C1=CC=CC=C1	REAL000000008251	0	46	-1.0	-46.23	382.01	9.60	-36.63
O=C(CCCC1=N[N-]N=N1)N1CC2=CC(Cl)=CC=C2CC1C1=CC=CC=C1	REAL000000008251	1	46	-1.0	-46.22	381.96	9.59	-36.63
O=C(CCCC1=NNN=N1)N1CC2=CC(Cl)=CC=C2CC1C1=CC=CC=C1	REAL000000008251	1	47	0.0	-13.38	385.39	9.61	-3.77
O=C(CCC1=NN=N[N-]1)N1CC2=CC(Cl)=CC=C2CC1C1=CC=CC=C1	REAL000000008252	0	43	-1.0	-39.59	360.25	8.80	-30.80
O=C(CCC1=N[N-]N=N1)N1CC2=CC(Cl)=CC=C2CC1C1=CC=CC=C1	REAL000000008252	1	43	-1.0	-39.59	360.19	8.79	-30.80
O=C(CCC1=NNN=N1)N1CC2=CC(Cl)=CC=C2CC1C1=CC=CC=C1	REAL000000008252	1	44	0.0	-9.76	363.80	8.81	-0.95
O=C(CCCC1=NN=N[N-]1)NCCS(=O)(=O)C1=CC=C(F)C=C1	REAL000000008253	0	38	-1.0	-56.46	346.30	1.33	-55.13
O=C(CCCC1=N[N-]N=N1)NCCS(=O)(=O)C1=CC=C(F)C=C1	REAL000000008253	1	38	-1.0	-56.46	346.24	1.32	-55.13
O=C(CCCC1=NNN=N1)NCCS(=O)(=O)C1=CC=C(F)C=C1	REAL000000008253	1	39	0.0	-23.94	349.68	1.34	-22.60
O=C(CCC1=NN=N[N-]1)NCCS(=O)(=O)C1=CC=C(F)C=C1	REAL000000008254	0	35	-1.0	-47.70	324.81	0.55	-47.14
O=C(CCC1=N[N-]N=N1)NCCS(=O)(=O)C1=CC=C(F)C=C1	REAL000000008254	1	35	-1.0	-47.70	324.75	0.54	-47.15
O=C(CCC1=NNN=N1)NCCS(=O)(=O)C1=CC=C(F)C=C1	REAL000000008254	1	36	0.0	-19.67	328.18	0.56	-19.11
O=C(NCCS(=O)(=O)C1=CC=C(F)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008255	0	42	0.0	-25.41	374.83	4.19	-21.22
O=C(NCCS(=O)(=O)C1=CC=C(F)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008256	0	39	0.0	-17.73	360.28	1.13	-16.60
O=C(CCCC1=NN=N[N-]1)N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL000000008257	0	55	0.0	-74.96	409.83	9.19	-65.78
O=C(CCCC1=NN=N[N-]1)N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1	REAL000000008257	1	55	0.0	-73.38	399.10	8.64	-64.74
O=C(CCCC1=N[N-]N=N1)N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL000000008257	1	55	0.0	-74.94	409.78	9.19	-65.75
O=C(CCCC1=N[N-]N=N1)N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1	REAL000000008257	1	55	0.0	-73.36	399.05	8.64	-64.72
O=C(CCCC1=NNN=N1)N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL000000008257	1	56	1.0	-51.97	413.21	9.20	-42.78
O=C(CCCC1=NNN=N1)N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1	REAL000000008257	1	56	1.0	-50.62	402.48	8.65	-41.97
O=C(CCC1=NN=N[N-]1)N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL000000008258	0	52	0.0	-62.09	377.61	7.86	-54.23
O=C(CCC1=NN=N[N-]1)N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1	REAL000000008258	1	52	0.0	-63.47	388.28	8.41	-55.06
O=C(CCC1=N[N-]N=N1)N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL000000008258	1	52	0.0	-62.08	377.55	7.85	-54.23
O=C(CCC1=N[N-]N=N1)N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1	REAL000000008258	1	52	0.0	-63.46	388.22	8.40	-55.06
O=C(CCC1=NNN=N1)N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL000000008258	1	53	1.0	-45.84	380.98	7.87	-37.97
O=C(CCC1=NNN=N1)N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1	REAL000000008258	1	53	1.0	-46.96	391.66	8.42	-38.54
O=C(CCCC1=NN=N[N-]1)NC1=CN(C2=CC=CC=C2F)N=C1	REAL000000008259	0	36	-1.0	-58.07	315.71	4.68	-53.39
O=C(CCCC1=N[N-]N=N1)NC1=CN(C2=CC=CC=C2F)N=C1	REAL000000008259	1	36	-1.0	-58.06	315.65	4.68	-53.38
O=C(CCCC1=NNN=N1)NC1=CN(C2=CC=CC=C2F)N=C1	REAL000000008259	1	37	0.0	-24.02	319.09	4.69	-19.32
O=C(NC1=CN(C2=CC=CC=C2F)N=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008261	0	40	0.0	-25.34	344.22	7.55	-17.79
O=C(NC1=CN(C2=CC=CC=C2F)N=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008262	0	37	0.0	-17.29	329.66	4.48	-12.81
CC1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(C)=N1	REAL000000008263	0	38	0.0	-16.62	317.41	5.96	-10.65
CC1=CC=C(C(C)NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1F	REAL000000008264	0	42	0.0	-16.95	351.88	7.91	-9.04
CC1=CC=C(C(C)NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1F	REAL000000008265	0	39	0.0	-9.12	337.35	4.84	-4.27
CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL000000008266	0	44	-1.0	-54.36	349.66	6.30	-48.06
CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL000000008266	1	44	-1.0	-54.35	349.60	6.30	-48.05
CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)CCCC1=NNN=N1	REAL000000008266	1	45	0.0	-18.93	353.03	6.31	-12.62
CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008267	0	48	0.0	-20.17	368.72	7.98	-12.19
CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008268	0	45	0.0	-14.22	361.70	6.08	-8.14
CCCCCCOC1=CC(C)=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL000000008269	0	54	-1.0	-48.02	436.83	7.58	-40.44
CCCCCCOC1=CC(C)=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL000000008269	1	54	-1.0	-48.01	436.77	7.57	-40.44
CCCCCCOC1=CC(C)=CC=C1CNC(=O)CCCC1=NNN=N1	REAL000000008269	1	55	0.0	-13.81	440.20	7.59	-6.22
CCCCCCOC1=CC(C)=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL000000008270	0	51	-1.0	-41.01	415.34	6.80	-34.21
CCCCCCOC1=CC(C)=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL000000008270	1	51	-1.0	-41.01	415.28	6.79	-34.22
CCCCCCOC1=CC(C)=CC=C1CNC(=O)CCC1=NNN=N1	REAL000000008270	1	52	0.0	-10.06	418.72	6.81	-3.25
CCCCCCOC1=CC(C)=CC=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008271	0	55	0.0	-9.77	450.81	7.37	-2.39
O=C(CCCC1=NN=N[N-]1)N1CCC(CC2=CC=CC=C2F)CC1	REAL000000008272	0	45	-1.0	-48.00	361.73	7.92	-40.08
O=C(CCCC1=N[N-]N=N1)N1CCC(CC2=CC=CC=C2F)CC1	REAL000000008272	1	45	-1.0	-47.99	361.67	7.91	-40.08
O=C(CCCC1=NNN=N1)N1CCC(CC2=CC=CC=C2F)CC1	REAL000000008272	1	46	0.0	-15.33	365.10	7.93	-7.40
O=C(CCC1=NN=N[N-]1)N1CCC(CC2=CC=CC=C2F)CC1	REAL000000008273	0	42	-1.0	-42.28	334.48	6.96	-35.32
O=C(CCC1=N[N-]N=N1)N1CCC(CC2=CC=CC=C2F)CC1	REAL000000008273	1	42	-1.0	-42.27	334.42	6.95	-35.32
O=C(CCC1=NNN=N1)N1CCC(CC2=CC=CC=C2F)CC1	REAL000000008273	1	43	0.0	-10.15	337.85	6.96	-3.18
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC(CC2=CC=CC=C2F)CC1	REAL000000008274	0	49	0.0	-16.75	383.48	10.24	-6.50
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC(CC2=CC=CC=C2F)CC1	REAL000000008275	0	46	0.0	-10.31	372.81	8.16	-2.16
CCC1CN(C)C2=CC=CC=C2CN1C(=O)CCCC1=NN=N[N-]1	REAL000000008276	0	47	-1.0	-49.37	357.90	6.23	-43.14
CCC1CN(C)C2=CC=CC=C2CN1C(=O)CCCC1=N[N-]N=N1	REAL000000008276	1	47	-1.0	-49.36	357.84	6.22	-43.14
CCC1CN(C)C2=CC=CC=C2CN1C(=O)CCCC1=NNN=N1	REAL000000008276	1	48	0.0	-12.89	358.67	5.94	-6.95
CCC1CN(C)C2=CC=CC=C2CN1C(=O)CCC1=NN=N[N-]1	REAL000000008277	0	44	-1.0	-42.71	336.42	5.44	-37.27
CCC1CN(C)C2=CC=CC=C2CN1C(=O)CCC1=N[N-]N=N1	REAL000000008277	1	44	-1.0	-42.72	336.37	5.44	-37.27
CCC1CN(C)C2=CC=CC=C2CN1C(=O)CCC1=NNN=N1	REAL000000008277	1	45	0.0	-10.55	339.80	5.45	-5.10
CCC1CN(C)C2=CC=CC=C2CN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008278	0	51	0.0	-14.64	367.82	7.40	-7.24
CCC1CN(C)C2=CC=CC=C2CN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008279	0	48	0.0	-9.51	362.36	6.87	-2.64
O=C(CCCC1=NN=N[N-]1)NC1CCCCC1N1CCOCC1	REAL000000008280	0	48	-1.0	-47.73	362.22	1.39	-46.33
O=C(CCC1=NN=N[N-]1)NC1CCCCC1N1CCOCC1	REAL000000008281	0	45	-1.0	-39.91	338.70	1.15	-38.76
O=C(NC1CCCCC1N1CCOCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008282	0	52	0.0	-15.11	388.62	4.80	-10.31
O=C(NC1CCCCC1[NH+]1CCOCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008282	1	53	1.0	-48.56	390.24	7.17	-41.39
O=C(NC1CCCCC1N1CCOCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008283	0	49	0.0	-8.80	374.20	1.72	-7.08
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2C=C(Br)C=CC2=C1	REAL000000008284	0	35	-1.0	-47.85	320.75	6.22	-41.62
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2C=C(Br)C=CC2=C1	REAL000000008284	1	35	-1.0	-47.83	320.70	6.22	-41.61
O=C(CCCC1=NNN=N1)NC1=CC=C2C=C(Br)C=CC2=C1	REAL000000008284	1	36	0.0	-15.21	324.13	6.23	-8.98
O=C(CCC1=NN=N[N-]1)NC1=CC=C2C=C(Br)C=CC2=C1	REAL000000008285	0	32	-1.0	-39.56	299.27	5.44	-34.12
O=C(CCC1=N[N-]N=N1)NC1=CC=C2C=C(Br)C=CC2=C1	REAL000000008285	1	32	-1.0	-39.56	299.22	5.43	-34.13
O=C(CCC1=NNN=N1)NC1=CC=C2C=C(Br)C=CC2=C1	REAL000000008285	1	33	0.0	-11.12	302.63	5.45	-5.67
O=C(NC1=CC=C2C=C(Br)C=CC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008286	0	36	0.0	-9.46	334.42	6.03	-3.43
O=C(CCCC1=NN=N[N-]1)N1CCC(=CC2=CC(Cl)=CC=C2Cl)CC1	REAL000000008287	0	43	-1.0	-46.56	375.48	8.64	-37.91
O=C(CCCC1=N[N-]N=N1)N1CCC(=CC2=CC(Cl)=CC=C2Cl)CC1	REAL000000008287	1	43	-1.0	-46.54	375.42	8.64	-37.90
O=C(CCCC1=NNN=N1)N1CCC(=CC2=CC(Cl)=CC=C2Cl)CC1	REAL000000008287	1	44	0.0	-13.68	378.84	8.66	-5.02
O=C(CCC1=NN=N[N-]1)N1CCC(=CC2=CC(Cl)=CC=C2Cl)CC1	REAL000000008288	0	40	-1.0	-39.13	353.93	7.87	-31.27
O=C(CCC1=N[N-]N=N1)N1CCC(=CC2=CC(Cl)=CC=C2Cl)CC1	REAL000000008288	1	40	-1.0	-39.14	353.88	7.86	-31.28
O=C(CCC1=NNN=N1)N1CCC(=CC2=CC(Cl)=CC=C2Cl)CC1	REAL000000008288	1	41	0.0	-9.39	357.36	7.87	-1.52
O=C(CCCC1=NN=N[N-]1)N1CC=C(C2=CC=CC=C2C(F)(F)F)CC1	REAL000000008289	0	43	-1.0	-50.24	361.42	7.89	-42.35
O=C(CCCC1=N[N-]N=N1)N1CC=C(C2=CC=CC=C2C(F)(F)F)CC1	REAL000000008289	1	43	-1.0	-50.23	361.36	7.88	-42.35
O=C(CCCC1=NNN=N1)N1CC=C(C2=CC=CC=C2C(F)(F)F)CC1	REAL000000008289	1	44	0.0	-15.89	364.80	7.90	-7.99
O=C(CCC1=NN=N[N-]1)N1CC=C(C2=CC=CC=C2C(F)(F)F)CC1	REAL000000008290	0	40	-1.0	-43.53	339.92	7.11	-36.42
O=C(CCC1=N[N-]N=N1)N1CC=C(C2=CC=CC=C2C(F)(F)F)CC1	REAL000000008290	1	40	-1.0	-43.53	339.86	7.10	-36.43
O=C(CCC1=NNN=N1)N1CC=C(C2=CC=CC=C2C(F)(F)F)CC1	REAL000000008290	1	41	0.0	-11.47	343.32	7.10	-4.37
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CC2CCCCCCC21	REAL000000008291	0	46	0.0	-17.67	342.56	7.71	-9.95
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CC2CCCCCCC21	REAL000000008292	0	43	0.0	-10.68	323.85	5.51	-5.18
COC1=CC(OCCNC(=O)CCCC2=NN=N[N-]2)=CC(OC)=C1	REAL000000008293	0	44	-1.0	-50.39	368.01	1.75	-48.64
COC1=CC(OCCNC(=O)CCCC2=N[N-]N=N2)=CC(OC)=C1	REAL000000008293	1	44	-1.0	-50.37	367.95	1.74	-48.64
COC1=CC(OCCNC(=O)CCCC2=NNN=N2)=CC(OC)=C1	REAL000000008293	1	45	0.0	-16.51	371.39	1.75	-14.76
COC1=CC(OCCNC(=O)CCC2=NN=N[N-]2)=CC(OC)=C1	REAL000000008294	0	41	-1.0	-43.98	346.51	0.95	-43.02
COC1=CC(OCCNC(=O)CCC2=N[N-]N=N2)=CC(OC)=C1	REAL000000008294	1	41	-1.0	-43.97	346.46	0.96	-43.01
COC1=CC(OCCNC(=O)CCC2=NNN=N2)=CC(OC)=C1	REAL000000008294	1	42	0.0	-13.19	349.89	0.97	-12.22
COC1=CC(OCCNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CC(OC)=C1	REAL000000008295	0	48	0.0	-18.32	396.54	4.60	-13.72
COC1=CC(OC)=CC(OCCNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000008296	0	45	0.0	-12.70	381.99	1.54	-11.16
CN(CC1=NC(C2=CC=CC=C2)=CN1)C(=O)CCCC1=NN=N[N-]1	REAL000000008297	0	42	-1.0	-61.55	355.89	5.94	-55.60
CN(CC1=NC(C2=CC=CC=C2)=CN1)C(=O)CCCC1=N[N-]N=N1	REAL000000008297	1	42	-1.0	-61.54	355.84	5.94	-55.60
CN(CC1=NC(C2=CC=CC=C2)=CN1)C(=O)CCCC1=NNN=N1	REAL000000008297	1	43	0.0	-24.50	359.53	5.95	-18.55
CN(CC1=NC(C2=CC=CC=C2)=CN1)C(=O)CCC1=NN=N[N-]1	REAL000000008298	0	39	-1.0	-42.13	334.66	5.16	-36.96
CN(CC1=NC(C2=CC=CC=C2)=CN1)C(=O)CCC1=N[N-]N=N1	REAL000000008298	1	39	-1.0	-42.13	334.60	5.16	-36.96
CN(CC1=NC(C2=CC=CC=C2)=CN1)C(=O)CCC1=NNN=N1	REAL000000008298	1	40	0.0	-12.43	338.04	5.17	-7.26
CN(CC1=NC(C2=CC=CC=C2)=CN1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008299	0	46	0.0	-27.57	382.69	8.44	-19.13
CN(CC1=NC(C2=CC=CC=C2)=CN1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008300	0	43	0.0	-19.04	367.62	6.30	-12.73
CC(C)CN(CC1=CC=CC=C1Br)C(=O)CCCC1=NN=N[N-]1	REAL000000008301	0	44	-1.0	-46.78	368.66	8.90	-37.88
CC(C)CN(CC1=CC=CC=C1Br)C(=O)CCCC1=N[N-]N=N1	REAL000000008301	1	44	-1.0	-46.77	368.60	8.90	-37.87
CC(C)CN(CC1=CC=CC=C1Br)C(=O)CCCC1=NNN=N1	REAL000000008301	1	45	0.0	-11.37	366.04	8.31	-3.06
CC(C)CN(CC1=CC=CC=C1Br)C(=O)CCC1=NN=N[N-]1	REAL000000008302	0	41	-1.0	-41.96	339.13	7.47	-34.48
CC(C)CN(CC1=CC=CC=C1Br)C(=O)CCC1=N[N-]N=N1	REAL000000008302	1	41	-1.0	-41.95	339.07	7.46	-34.49
CC(C)CN(CC1=CC=CC=C1Br)C(=O)CCC1=NNN=N1	REAL000000008302	1	42	0.0	-7.60	344.46	7.29	-0.31
CCOCCC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCC1	REAL000000008303	0	49	0.0	-15.01	385.35	6.56	-8.44
CCOCCC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCC1	REAL000000008304	0	46	0.0	-8.81	370.71	3.53	-5.28
CC(C)(C)OC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL000000008305	0	50	-1.0	-51.27	407.74	7.50	-43.76
CC(C)(C)OC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL000000008305	1	50	-1.0	-51.24	407.67	7.51	-43.73
CC(C)(C)OC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CCCC1=NNN=N1	REAL000000008305	1	51	0.0	-17.02	411.04	7.52	-9.50
CC(C)(C)OC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL000000008306	0	47	-1.0	-43.87	386.23	6.73	-37.15
CC(C)(C)OC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL000000008306	1	47	-1.0	-43.87	386.17	6.72	-37.15
CC(C)(C)OC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CCC1=NNN=N1	REAL000000008306	1	48	0.0	-12.67	389.61	6.74	-5.93
CC(C)(C)OC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008307	0	51	0.0	-12.29	421.70	7.30	-4.99
CC(NC(=O)OC(C)(C)C)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL000000008308	0	55	-1.0	-49.40	444.55	4.80	-44.60
CC(NC(=O)OC(C)(C)C)C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL000000008308	1	55	-1.0	-49.39	444.49	4.80	-44.59
CC(NC(=O)OC(C)(C)C)C1=CC=C(CNC(=O)CCCC2=NNN=N2)C=C1	REAL000000008308	1	56	0.0	-16.60	447.93	4.82	-11.78
CC(NC(=O)OC(C)(C)C)C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL000000008309	0	52	-1.0	-42.14	423.05	4.02	-38.12
CC(NC(=O)OC(C)(C)C)C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL000000008309	1	52	-1.0	-42.14	422.99	4.02	-38.12
CC(NC(=O)OC(C)(C)C)C1=CC=C(CNC(=O)CCC2=NNN=N2)C=C1	REAL000000008309	1	53	0.0	-12.97	426.43	4.03	-8.94
CC1=CC(C2=CSC(NC(=O)CCCC3=NN=N[N-]3)=N2)=CC=C1F	REAL000000008310	0	38	-1.0	-46.05	342.84	5.97	-40.08
CC1=CC(C2=CSC(NC(=O)CCCC3=N[N-]N=N3)=N2)=CC=C1F	REAL000000008310	1	38	-1.0	-46.03	342.79	5.96	-40.07
CC1=CC(C2=CSC(NC(=O)CCCC3=NNN=N3)=N2)=CC=C1F	REAL000000008310	1	39	0.0	-15.04	346.22	5.98	-9.06
CC1=CC(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)=CC=C1F	REAL000000008311	0	35	-1.0	-38.70	321.34	5.19	-33.52
CC1=CC(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)=CC=C1F	REAL000000008311	1	35	-1.0	-38.70	321.29	5.18	-33.52
CC1=CC(C2=CSC(NC(=O)CCC3=NNN=N3)=N2)=CC=C1F	REAL000000008311	1	36	0.0	-11.43	324.72	5.20	-6.24
CC1=CC(C2=CSC(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=N2)=CC=C1F	REAL000000008312	0	42	0.0	-14.80	371.34	8.82	-5.98
CC1=CC(C2=CSC(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=N2)=CC=C1F	REAL000000008313	0	39	0.0	-10.03	356.73	5.76	-4.27
O=C(NCC(O)C1=CC=CC=C1F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008314	0	40	0.0	-17.42	342.51	4.00	-13.42
O=C(NCC(O)C1=CC=CC=C1F)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008315	0	37	0.0	-11.29	327.24	1.03	-10.25
CCCCC1=NC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2N1	REAL000000008316	0	44	-1.0	-58.84	365.57	5.08	-53.76
CCCCC1=NC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2N1	REAL000000008316	1	44	-1.0	-58.83	365.52	5.07	-53.76
CCCCC1=NC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C2N1	REAL000000008317	0	41	-1.0	-49.40	344.08	4.30	-45.10
CCCCC1=NC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C2N1	REAL000000008317	1	41	-1.0	-49.39	344.02	4.29	-45.10
CCCCC1=NC2=CC(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=CC=C2N1	REAL000000008318	0	48	0.0	-25.42	393.82	7.95	-17.48
CCCCC1=NC2=CC=C(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)C=C2N1	REAL000000008318	1	48	0.0	-20.89	394.41	7.90	-12.99
CCCCC1=NC2=CC(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=CC=C2N1	REAL000000008319	0	45	0.0	-12.84	379.52	4.87	-7.96
CCCCC1=NC2=CC=C(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)C=C2N1	REAL000000008319	1	45	0.0	-13.69	379.43	4.87	-8.82
O=C(CCCC1=NN=N[N-]1)N1CCOCC1CC(O)C1=CC=CC=C1	REAL000000008320	0	47	-1.0	-47.46	369.27	3.12	-44.34
O=C(CCCC1=N[N-]N=N1)N1CCOCC1CC(O)C1=CC=CC=C1	REAL000000008320	1	47	-1.0	-47.45	369.22	3.12	-44.33
O=C(CCCC1=NNN=N1)N1CCOCC1CC(O)C1=CC=CC=C1	REAL000000008320	1	48	0.0	-14.95	372.65	3.13	-11.82
O=C(CCC1=NN=N[N-]1)N1CCOCC1CC(O)C1=CC=CC=C1	REAL000000008321	0	44	-1.0	-39.94	348.20	2.31	-37.63
O=C(CCC1=N[N-]N=N1)N1CCOCC1CC(O)C1=CC=CC=C1	REAL000000008321	1	44	-1.0	-39.93	348.15	2.31	-37.62
O=C(CCC1=NNN=N1)N1CCOCC1CC(O)C1=CC=CC=C1	REAL000000008321	1	45	0.0	-10.71	349.47	2.76	-7.95
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCOCC1CC(O)C1=CC=CC=C1	REAL000000008322	0	51	0.0	-16.26	395.91	5.49	-10.77
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCOCC1CC(O)C1=CC=CC=C1	REAL000000008323	0	48	0.0	-10.47	380.14	3.35	-7.11
COC(=O)CC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL000000008324	0	38	-1.0	-51.91	330.30	4.79	-47.12
COC(=O)CC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL000000008324	1	38	-1.0	-51.90	330.24	4.79	-47.10
COC(=O)CC1=CC=CC(NC(=O)CCCC2=NNN=N2)=C1	REAL000000008324	1	39	0.0	-18.35	333.67	4.80	-13.55
COC(=O)CC1=CC=CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000008325	0	42	0.0	-19.88	358.56	7.67	-12.21
COC(=O)CC1=CC=CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000008326	0	39	0.0	-13.31	343.98	4.60	-8.71
O=C(CCCC1=NN=N[N-]1)NCCN1CCN(C2=CC=CC(Cl)=C2)CC1	REAL000000008327	0	49	-1.0	-48.40	401.79	2.80	-45.60
O=C(CCCC1=N[N-]N=N1)NCCN1CCN(C2=CC=CC(Cl)=C2)CC1	REAL000000008327	1	49	-1.0	-48.39	401.74	2.80	-45.59
O=C(CCC1=NN=N[N-]1)NCCN1CCN(C2=CC=CC(Cl)=C2)CC1	REAL000000008328	0	46	-1.0	-40.50	380.30	2.02	-38.48
O=C(CCC1=N[N-]N=N1)NCCN1CCN(C2=CC=CC(Cl)=C2)CC1	REAL000000008328	1	46	-1.0	-40.50	380.24	2.02	-38.48
NC1=C(Cl)C(=NNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)[N-]N=C1	REAL000000008329	0	34	-1.0	-52.37	317.72	2.24	-50.14
NC1=CN=NC(NNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1Cl	REAL000000008329	1	35	0.0	-17.00	318.86	2.41	-14.59
NC1=C(Cl)C(=NNC(=O)C2=CC=C(C3=NNN=N3)C=N2)[N-]N=C1	REAL000000008330	0	31	-1.0	-45.86	302.76	-0.77	-46.63
NC1=CN=NC(NNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1Cl	REAL000000008330	1	32	0.0	-12.18	303.92	-0.59	-12.77
CC1=CC=CC(C2CCCN2C(=O)CCCC2=NN=N[N-]2)=N1	REAL000000008331	0	41	-1.0	-51.68	337.76	5.62	-46.06
CC1=CC=CC(C2CCCN2C(=O)CCCC2=N[N-]N=N2)=N1	REAL000000008331	1	41	-1.0	-51.66	337.70	5.62	-46.04
CC1=CC=CC(C2CCCN2C(=O)CCCC2=NNN=N2)=N1	REAL000000008331	1	42	0.0	-16.67	341.19	5.63	-11.04
CC1=CC=CC(C2CCCN2C(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000008332	0	45	0.0	-19.88	362.67	8.00	-11.88
CC1=CC=CC(C2CCCN2C(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000008333	0	42	0.0	-11.78	348.23	5.62	-6.16
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC2(O)CCCCC2C1	REAL000000008334	0	47	0.0	-14.98	349.63	5.52	-9.46
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2(O)CCCCC2C1	REAL000000008335	0	44	0.0	-8.68	332.92	3.32	-5.36
CC1=CC=CC(OCC(O)CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL000000008336	0	43	-1.0	-48.50	362.93	1.44	-47.07
CC1=CC=CC(OCC(O)CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL000000008336	1	43	-1.0	-48.49	362.88	1.43	-47.06
CC1=CC=CC(OCC(O)CNC(=O)CCCC2=NNN=N2)=C1	REAL000000008336	1	44	0.0	-15.70	366.31	1.45	-14.25
CC1=CC=CC(OCC(O)CNC(=O)CCC2=NN=N[N-]2)=C1	REAL000000008337	0	40	-1.0	-42.14	341.44	0.66	-41.48
CC1=CC=CC(OCC(O)CNC(=O)CCC2=N[N-]N=N2)=C1	REAL000000008337	1	40	-1.0	-42.14	341.38	0.65	-41.49
CC1=CC=CC(OCC(O)CNC(=O)CCC2=NNN=N2)=C1	REAL000000008337	1	41	0.0	-12.36	344.81	0.67	-11.69
CC1=CC=CC(OCC(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000008338	0	47	0.0	-16.99	391.17	4.36	-12.63
CC1=CC=CC(OCC(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000008339	0	44	0.0	-11.83	376.61	1.29	-10.53
O=C(CCC1=NN=N[N-]1)NC1=NNC(C2=CC(Br)=CC=C2Cl)=C1	REAL000000008340	0	33	-1.0	-39.84	325.75	4.69	-35.15
O=C(CCC1=N[N-]N=N1)NC1=NNC(C2=CC(Br)=CC=C2Cl)=C1	REAL000000008340	1	33	-1.0	-39.84	325.70	4.69	-35.15
O=C(CCC1=NNN=N1)NC1=NNC(C2=CC(Br)=CC=C2Cl)=C1	REAL000000008340	1	34	0.0	-10.82	329.13	4.70	-6.12
O=C(NCC(O)CC1=CC=CC=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008341	0	43	0.0	-15.95	360.55	4.66	-11.29
O=C(NCC(O)CC1=CC=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008342	0	40	0.0	-10.53	345.99	1.60	-8.93
CC1(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)OCCO1	REAL000000008343	0	44	-1.0	-49.23	340.14	3.83	-45.39
CC1(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)OCCO1	REAL000000008343	1	44	-1.0	-49.22	340.08	3.82	-45.40
CC1(C2CCN(C(=O)CCCC3=NNN=N3)CC2)OCCO1	REAL000000008343	1	45	0.0	-15.63	343.52	3.84	-11.79
CC1(C2CCN(C(=O)C3=CC=CC(NC4=NNN=N4)=C3)CC2)OCCO1	REAL000000008344	0	48	0.0	-17.54	368.27	6.36	-11.18
CC1(C2CCN(C(=O)C3=CC=C(C4=NNN=N4)C=N3)CC2)OCCO1	REAL000000008345	0	45	0.0	-10.72	351.64	4.04	-6.68
CC(C)CN(CC(O)C1=CC=C(F)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL000000008346	0	48	-1.0	-49.53	385.19	5.54	-44.00
CC(C)CN(CC(O)C1=CC=C(F)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL000000008346	1	48	-1.0	-49.53	385.13	5.54	-43.99
CC(C)CN(CC(O)C1=CC=C(F)C=C1)C(=O)CCCC1=NNN=N1	REAL000000008346	1	49	0.0	-15.42	389.66	5.68	-9.73
CC(C)CN(CC(O)C1=CC=C(F)C=C1)C(=O)CCC1=NN=N[N-]1	REAL000000008347	0	45	-1.0	-41.38	363.15	5.72	-35.65
CC(C)CN(CC(O)C1=CC=C(F)C=C1)C(=O)CCC1=N[N-]N=N1	REAL000000008347	1	45	-1.0	-41.38	363.09	5.73	-35.66
CC(C)CN(CC(O)C1=CC=C(F)C=C1)C(=O)CCC1=NNN=N1	REAL000000008347	1	46	0.0	-10.74	368.21	4.72	-6.03
CC(C)CN(CC(O)C1=CC=C(F)C=C1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008348	0	52	0.0	-18.60	407.54	8.02	-10.59
CC(C)CN(CC(O)C1=CC=C(F)C=C1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008349	0	49	0.0	-10.30	396.69	7.15	-3.16
CC(C)(C)[C@H](NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(N)=O	REAL000000008350	0	42	0.0	-18.82	334.47	2.66	-16.16
CC(C)(C)[C@H](NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(N)=O	REAL000000008351	0	39	0.0	-12.97	321.78	-0.45	-13.42
CN(CC(O)C1CC1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008352	0	40	0.0	-16.82	322.01	4.49	-12.33
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL000000008353	0	56	0.0	-71.49	430.42	7.91	-63.58
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL000000008353	1	56	0.0	-71.65	436.40	8.24	-63.40
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL000000008353	1	56	0.0	-71.47	430.37	7.91	-63.56
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL000000008353	1	56	0.0	-71.63	436.34	8.25	-63.39
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)CCCC2=NNN=N2)=C1	REAL000000008353	1	57	1.0	-46.90	439.50	8.25	-38.65
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)CCCC2=NNN=N2)=C1	REAL000000008353	1	57	1.0	-46.95	439.78	8.25	-38.69
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL000000008354	0	53	0.0	-63.42	414.45	7.45	-55.97
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL000000008354	1	53	0.0	-62.97	414.90	7.46	-55.50
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL000000008354	1	53	0.0	-63.41	414.39	7.45	-55.97
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL000000008354	1	53	0.0	-62.96	414.84	7.46	-55.50
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)CCC2=NNN=N2)=C1	REAL000000008354	1	54	1.0	-43.08	417.82	7.46	-35.62
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)CCC2=NNN=N2)=C1	REAL000000008354	1	54	1.0	-43.41	418.28	7.47	-35.94
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000008355	0	57	1.0	-41.90	450.09	8.03	-33.88
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000008355	1	57	1.0	-41.92	450.37	8.04	-33.88
CC1=C(C2=CC=C(Cl)C=C2)OC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL000000008356	0	41	-1.0	-47.30	372.46	3.09	-44.21
CC1=C(C2=CC=C(Cl)C=C2)OC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL000000008356	1	41	-1.0	-47.29	372.40	3.08	-44.21
CC1=C(C2=CC=C(Cl)C=C2)OC(CNC(=O)CCCC2=NNN=N2)=N1	REAL000000008356	1	42	0.0	-14.58	375.84	3.10	-11.48
CC1=C(C2=CC=C(Cl)C=C2)OC(CNC(=O)CCC2=NN=N[N-]2)=N1	REAL000000008357	0	38	-1.0	-40.65	350.97	2.31	-38.34
CC1=C(C2=CC=C(Cl)C=C2)OC(CNC(=O)CCC2=N[N-]N=N2)=N1	REAL000000008357	1	38	-1.0	-40.66	350.91	2.30	-38.36
CC1=C(C2=CC=C(Cl)C=C2)OC(CNC(=O)CCC2=NNN=N2)=N1	REAL000000008357	1	39	0.0	-11.18	354.35	2.32	-8.86
CC1=C(C2=CC=C(Cl)C=C2)OC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000008358	0	42	0.0	-10.48	386.45	2.88	-7.59
CN1CCN(C(=O)CCCC2=NN=N[N-]2)C(CNC(=O)OC(C)(C)C)C1	REAL000000008359	0	54	-1.0	-54.39	411.56	1.49	-52.90
CN1CCN(C(=O)CCCC2=N[N-]N=N2)C(CNC(=O)OC(C)(C)C)C1	REAL000000008359	1	54	-1.0	-54.39	411.50	1.48	-52.90
CN1CCN(C(=O)CCCC2=NNN=N2)C(CNC(=O)OC(C)(C)C)C1	REAL000000008359	1	55	0.0	-18.96	414.92	1.51	-17.45
CN1CCN(C(=O)CCC2=NN=N[N-]2)C(CNC(=O)OC(C)(C)C)C1	REAL000000008360	0	51	-1.0	-44.99	390.06	0.71	-44.28
CN1CCN(C(=O)CCC2=N[N-]N=N2)C(CNC(=O)OC(C)(C)C)C1	REAL000000008360	1	51	-1.0	-45.00	390.00	0.70	-44.29
CN1CCN(C(=O)CCC2=NNN=N2)C(CNC(=O)OC(C)(C)C)C1	REAL000000008360	1	52	0.0	-14.15	393.48	0.72	-13.42
CSCC1=CC(F)=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL000000008361	0	39	-1.0	-46.77	346.74	5.52	-41.25
CSCC1=CC(F)=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL000000008361	1	39	-1.0	-46.76	346.68	5.51	-41.25
CSCC1=CC(F)=CC=C1CNC(=O)CCCC1=NNN=N1	REAL000000008361	1	40	0.0	-14.59	350.11	5.53	-9.06
CSCC1=CC(F)=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL000000008362	0	36	-1.0	-39.22	325.24	4.73	-34.48
CSCC1=CC(F)=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL000000008362	1	36	-1.0	-39.21	325.18	4.73	-34.47
CSCC1=CC(F)=CC=C1CNC(=O)CCC1=NNN=N1	REAL000000008362	1	37	0.0	-10.78	328.60	4.75	-6.03
CSCC1=CC(F)=CC=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008363	0	43	0.0	-15.61	375.65	8.36	-7.26
CSCC1=CC(F)=CC=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008364	0	40	0.0	-8.90	359.64	5.23	-3.67
CN1N=CN=C1CCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008365	0	38	0.0	-23.01	324.44	5.30	-17.71
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=CC=C(F)C=C2)C1	REAL000000008366	0	39	-1.0	-48.72	326.30	6.40	-42.33
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=CC=C(F)C=C2)C1	REAL000000008366	1	39	-1.0	-48.70	326.24	6.39	-42.32
O=C(CCCC1=NNN=N1)N1CCC(C2=CC=C(F)C=C2)C1	REAL000000008366	1	40	0.0	-15.91	329.63	6.40	-9.51
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC(C2=CC=C(F)C=C2)C1	REAL000000008367	0	43	0.0	-18.70	349.46	8.67	-10.03
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC(C2=CC=C(F)C=C2)C1	REAL000000008368	0	40	0.0	-10.91	336.59	6.55	-4.36
CC1=C(C)SC(CCNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000008369	0	41	0.0	-18.99	354.63	5.55	-13.44
CC1=C(C)SC(CCNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000008370	0	38	0.0	-11.74	340.10	2.49	-9.25
CCCCCC(C)(C)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008371	0	50	0.0	-14.60	383.86	8.43	-6.18
CCCCCC(C)(C)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008372	0	47	0.0	-7.82	369.31	5.37	-2.45
CC1=CC(F)=CC=C1CCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008373	0	42	0.0	-18.04	350.92	7.65	-10.39
CC1=CC(F)=CC=C1CCNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008374	0	39	0.0	-10.80	336.39	4.57	-6.23
O=C(CCCC1=NN=N[N-]1)NCC1=CN(C2=CC=CC=C2)N=N1	REAL000000008375	0	38	-1.0	-51.72	332.05	3.31	-48.41
O=C(CCCC1=N[N-]N=N1)NCC1=CN(C2=CC=CC=C2)N=N1	REAL000000008375	1	38	-1.0	-51.70	331.99	3.30	-48.40
O=C(CCCC1=NNN=N1)NCC1=CN(C2=CC=CC=C2)N=N1	REAL000000008375	1	39	0.0	-18.87	335.43	3.32	-15.55
O=C(NCC1=CN(C2=CC=CC=C2)N=N1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008376	0	42	0.0	-19.55	360.58	6.16	-13.39
O=C(NCC1=CN(C2=CC=CC=C2)N=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008377	0	39	0.0	-14.81	346.02	3.10	-11.71
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(OCC2CC2)=C1	REAL000000008378	0	46	-1.0	-48.34	382.52	6.02	-42.32
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(OCC2CC2)=C1	REAL000000008378	1	46	-1.0	-48.32	382.46	6.01	-42.31
CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(OCC2CC2)=C1	REAL000000008378	1	47	0.0	-14.04	385.89	6.03	-8.01
CC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C(OCC2CC2)=C1	REAL000000008379	0	43	-1.0	-41.30	361.01	5.23	-36.07
CC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C(OCC2CC2)=C1	REAL000000008379	1	43	-1.0	-41.30	360.95	5.23	-36.07
CC1=CC=C(CNC(=O)CCC2=NNN=N2)C(OCC2CC2)=C1	REAL000000008379	1	44	0.0	-10.28	364.39	5.24	-5.04
CC1=CC=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(OCC2CC2)=C1	REAL000000008380	0	50	0.0	-16.12	411.43	8.84	-7.28
CC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(OCC2CC2)=C1	REAL000000008381	0	47	0.0	-10.05	396.49	5.81	-4.24
CC1=CN(C)C(=O)C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL000000008382	0	38	-1.0	-68.35	324.69	6.90	-61.45
CC1=CN(C)C(=O)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL000000008383	0	35	-1.0	-49.13	311.41	3.40	-45.73
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CC2=CC=CC=C2S1	REAL000000008384	0	39	-1.0	-49.17	347.16	2.57	-46.60
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CC2=CC=CC=C2S1	REAL000000008384	1	39	-1.0	-49.16	347.10	2.57	-46.59
O=C(CCCC1=NNN=N1)NCC(O)C1=CC2=CC=CC=C2S1	REAL000000008384	1	40	0.0	-16.04	350.54	2.58	-13.45
O=C(CCC1=NN=N[N-]1)NCC(O)C1=CC2=CC=CC=C2S1	REAL000000008385	0	36	-1.0	-41.85	325.65	1.79	-40.06
O=C(CCC1=N[N-]N=N1)NCC(O)C1=CC2=CC=CC=C2S1	REAL000000008385	1	36	-1.0	-41.85	325.60	1.79	-40.06
O=C(CCC1=NNN=N1)NCC(O)C1=CC2=CC=CC=C2S1	REAL000000008385	1	37	0.0	-12.15	329.03	1.80	-10.35
O=C(NCC(O)C1=CC2=CC=CC=C2S1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008386	0	43	0.0	-17.64	376.52	5.33	-12.31
O=C(NCC(O)C1=CC2=CC=CC=C2S1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008387	0	40	0.0	-11.35	361.57	2.30	-9.06
CC1=CC=NC(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=C1	REAL000000008388	0	43	-1.0	-50.60	344.53	4.66	-45.94
CC1=CC=NC(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=C1	REAL000000008389	0	40	-1.0	-41.64	323.12	3.89	-37.75
CC1=CC=NC(N2CCN(C(=O)C3=CC=CC(NC4=NNN=N4)=C3)CC2)=C1	REAL000000008390	0	47	0.0	-19.44	370.76	7.15	-12.29
CC1=CC=[NH+]C(N2CCN(C(=O)C3=CC=CC(NC4=NNN=N4)=C3)CC2)=C1	REAL000000008390	1	48	1.0	-42.07	373.45	7.49	-34.58
CC1=CC=NC(N2CCN(C(=O)C3=CC=C(C4=NNN=N4)C=N3)CC2)=C1	REAL000000008391	0	44	0.0	-11.13	355.99	4.89	-6.24
CC1=CC=[NH+]C(N2CCN(C(=O)C3=CC=C(C4=NNN=N4)C=N3)CC2)=C1	REAL000000008391	1	45	1.0	-36.29	356.45	5.21	-31.08
COC(=O)C(C)(C)C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL000000008392	0	47	-1.0	-53.80	376.69	6.31	-47.49
COC(=O)C(C)(C)C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL000000008392	1	47	-1.0	-53.79	376.63	6.30	-47.49
COC(=O)C(C)(C)C(NC(=O)CCCC1=NNN=N1)C1=CC=CC=C1	REAL000000008392	1	48	0.0	-20.71	380.07	6.32	-14.39
COC(=O)C(C)(C)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL000000008393	0	44	-1.0	-43.60	355.14	5.52	-38.08
COC(=O)C(C)(C)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL000000008393	1	44	-1.0	-43.59	355.09	5.52	-38.08
COC(=O)C(C)(C)C(NC(=O)CCC1=NNN=N1)C1=CC=CC=C1	REAL000000008393	1	45	0.0	-13.22	349.24	6.07	-7.15
COC(=O)C(C)(C)C(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC=C1	REAL000000008394	0	51	0.0	-21.88	405.25	9.17	-12.71
COC(=O)C(C)(C)C(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC=C1	REAL000000008395	0	48	0.0	-13.09	390.61	6.09	-7.00
O=C(CCCC1=NN=N[N-]1)NCC(O)COC1=CC=CC=C1Br	REAL000000008396	0	40	-1.0	-49.08	361.95	1.43	-47.65
O=C(CCCC1=N[N-]N=N1)NCC(O)COC1=CC=CC=C1Br	REAL000000008396	1	40	-1.0	-49.07	361.89	1.43	-47.64
O=C(CCCC1=NNN=N1)NCC(O)COC1=CC=CC=C1Br	REAL000000008396	1	41	0.0	-16.38	365.32	1.44	-14.94
O=C(CCC1=NN=N[N-]1)NCC(O)COC1=CC=CC=C1Br	REAL000000008397	0	37	-1.0	-43.10	340.45	0.65	-42.45
O=C(CCC1=N[N-]N=N1)NCC(O)COC1=CC=CC=C1Br	REAL000000008397	1	37	-1.0	-43.09	340.39	0.65	-42.44
O=C(CCC1=NNN=N1)NCC(O)COC1=CC=CC=C1Br	REAL000000008397	1	38	0.0	-13.11	343.52	0.72	-12.39
O=C(CCCC1=NN=N[N-]1)NCCC1=NC2=CC(Cl)=CC=C2S1	REAL000000008398	0	37	-1.0	-51.48	349.10	4.19	-47.29
O=C(CCCC1=N[N-]N=N1)NCCC1=NC2=CC(Cl)=CC=C2S1	REAL000000008398	1	37	-1.0	-51.47	349.04	4.19	-47.28
O=C(CCCC1=NNN=N1)NCCC1=NC2=CC(Cl)=CC=C2S1	REAL000000008398	1	38	0.0	-18.43	352.48	4.20	-14.24
O=C(CCC1=NN=N[N-]1)NCCC1=NC2=CC(Cl)=CC=C2S1	REAL000000008399	0	34	-1.0	-43.19	327.60	3.41	-39.79
O=C(CCC1=N[N-]N=N1)NCCC1=NC2=CC(Cl)=CC=C2S1	REAL000000008399	1	34	-1.0	-43.19	327.54	3.40	-39.79
O=C(CCC1=NNN=N1)NCCC1=NC2=CC(Cl)=CC=C2S1	REAL000000008399	1	35	0.0	-14.07	330.98	3.42	-10.65
O=C(NCCC1=NC2=CC(Cl)=CC=C2S1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008400	0	41	0.0	-19.84	377.61	7.05	-12.78
O=C(NCCC1=NC2=CC(Cl)=CC=C2S1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008401	0	38	0.0	-12.55	363.08	3.98	-8.57
O=C(CCCC1=NN=N[N-]1)N(CC1=CC=CC=C1)CC(O)C1=CC=CS1	REAL000000008402	0	46	-1.0	-50.04	396.07	6.22	-43.82
O=C(CCCC1=N[N-]N=N1)N(CC1=CC=CC=C1)CC(O)C1=CC=CS1	REAL000000008402	1	46	-1.0	-50.02	396.01	6.22	-43.80
O=C(CCCC1=NNN=N1)N(CC1=CC=CC=C1)CC(O)C1=CC=CS1	REAL000000008402	1	47	0.0	-15.96	397.98	6.31	-9.64
O=C(CCC1=NN=N[N-]1)N(CC1=CC=CC=C1)CC(O)C1=CC=CS1	REAL000000008403	0	43	-1.0	-43.09	367.04	6.10	-36.99
O=C(CCC1=N[N-]N=N1)N(CC1=CC=CC=C1)CC(O)C1=CC=CS1	REAL000000008403	1	43	-1.0	-43.09	366.98	6.10	-36.99
O=C(CCC1=NNN=N1)N(CC1=CC=CC=C1)CC(O)C1=CC=CS1	REAL000000008403	1	44	0.0	-10.78	371.92	5.24	-5.54
CN1N=C(C2CCC2)C=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008404	0	43	0.0	-18.52	349.22	7.45	-11.07
CN1N=C(C2CCC2)C=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008405	0	40	0.0	-11.47	334.65	4.39	-7.08
COC(=O)C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL000000008406	0	49	-1.0	-56.54	417.51	7.43	-49.11
COC(=O)C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL000000008406	1	49	-1.0	-56.52	417.45	7.42	-49.10
COC(=O)C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)CCCC2=NNN=N2)=C1	REAL000000008406	1	50	0.0	-20.80	420.89	7.44	-13.35
COC(=O)C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL000000008407	0	46	-1.0	-48.23	396.84	6.64	-41.59
COC(=O)C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL000000008407	1	46	-1.0	-48.23	396.79	6.65	-41.59
COC(=O)C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)CCC2=NNN=N2)=C1	REAL000000008407	1	47	0.0	-16.45	400.22	6.65	-9.79
CC(C)C1C2=CC=CC=C2CCN1C(=O)CCCC1=NN=N[N-]1	REAL000000008408	0	45	-1.0	-48.21	346.87	7.93	-40.28
CC(C)C1C2=CC=CC=C2CCN1C(=O)CCCC1=N[N-]N=N1	REAL000000008408	1	45	-1.0	-48.20	346.81	7.92	-40.28
CC(C)C1C2=CC=CC=C2CCN1C(=O)CCCC1=NNN=N1	REAL000000008408	1	46	0.0	-14.68	349.48	7.79	-6.89
CC(C)C1C2=CC=CC=C2CCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008409	0	49	0.0	-15.73	370.61	10.17	-5.56
CC(C)C1C2=CC=CC=C2CCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008410	0	46	0.0	-9.45	349.96	8.48	-0.98
O=C(NCC1=CC=C(F)C=N1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008411	0	35	0.0	-15.41	309.05	4.55	-10.87
CCC1(CC)CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000008412	0	45	0.0	-16.48	337.95	7.46	-9.02
CCC1(CC)CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000008413	0	42	0.0	-9.11	322.56	5.26	-3.85
COC(=O)CCCC1=CSC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL000000008414	0	40	-1.0	-51.23	357.44	4.47	-46.77
COC(=O)CCCC1=CSC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL000000008414	1	40	-1.0	-51.22	357.38	4.47	-46.76
COC(=O)CCCC1=CSC(NC(=O)CCCC2=NNN=N2)=N1	REAL000000008414	1	41	0.0	-19.07	360.81	4.48	-14.59
COC(=O)CCCC1=CSC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL000000008415	0	37	-1.0	-44.45	335.93	3.69	-40.76
COC(=O)CCCC1=CSC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL000000008415	1	37	-1.0	-44.44	335.87	3.69	-40.75
COC(=O)CCCC1=CSC(NC(=O)CCC2=NNN=N2)=N1	REAL000000008415	1	38	0.0	-15.45	339.30	3.70	-11.75
COC(=O)CCCC1=CSC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000008416	0	44	0.0	-19.21	385.94	7.33	-11.88
COC(=O)CCCC1=CSC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000008417	0	41	0.0	-14.71	371.38	4.26	-10.44
CC1=C(C2=CC=C(Cl)C=C2)N=C(C(C)NC(=O)CCCC2=NN=N[N-]2)S1	REAL000000008418	0	44	-1.0	-49.62	396.34	6.12	-43.50
CC1=C(C2=CC=C(Cl)C=C2)N=C(C(C)NC(=O)CCCC2=N[N-]N=N2)S1	REAL000000008418	1	44	-1.0	-49.61	396.28	6.11	-43.50
CC1=C(C2=CC=C(Cl)C=C2)N=C(C(C)NC(=O)CCCC2=NNN=N2)S1	REAL000000008418	1	45	0.0	-16.71	399.72	6.13	-10.58
CC1=C(C2=CC=C(Cl)C=C2)N=C(C(C)NC(=O)CCC2=NN=N[N-]2)S1	REAL000000008419	0	41	-1.0	-41.50	374.84	5.34	-36.16
CC1=C(C2=CC=C(Cl)C=C2)N=C(C(C)NC(=O)CCC2=N[N-]N=N2)S1	REAL000000008419	1	41	-1.0	-41.49	374.79	5.33	-36.16
CC1=C(C2=CC=C(Cl)C=C2)N=C(C(C)NC(=O)CCC2=NNN=N2)S1	REAL000000008419	1	42	0.0	-12.13	379.63	5.37	-6.76
O=C(CCCC1=NN=N[N-]1)NC1=NC2=CC(F)=C(F)C=C2N1	REAL000000008420	0	32	-1.0	-44.35	291.49	4.94	-39.41
O=C(CCCC1=N[N-]N=N1)NC1=NC2=CC(F)=C(F)C=C2N1	REAL000000008420	1	32	-1.0	-44.33	291.43	4.93	-39.40
O=C(CCCC1=NNN=N1)NC1=NC2=CC(F)=C(F)C=C2N1	REAL000000008420	1	33	0.0	-14.71	294.86	4.95	-9.76
O=C(NC1=NC2=CC(F)=C(F)C=C2N1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008421	0	36	0.0	-13.58	319.99	7.79	-5.78
O=C(NC1=NC2=CC(F)=C(F)C=C2N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008422	0	33	0.0	-8.93	305.43	4.73	-4.20
COCCOC1=CC(C)=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL000000008423	0	46	-1.0	-50.70	384.47	3.69	-47.01
COCCOC1=CC(C)=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL000000008423	1	46	-1.0	-50.69	384.41	3.69	-47.00
COCCOC1=CC(C)=CC=C1CNC(=O)CCCC1=NNN=N1	REAL000000008423	1	47	0.0	-16.57	387.85	3.69	-12.88
COCCOC1=CC(C)=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL000000008424	0	43	-1.0	-43.24	362.97	2.90	-40.34
COCCOC1=CC(C)=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL000000008424	1	43	-1.0	-43.24	362.91	2.91	-40.34
COCCOC1=CC(C)=CC=C1CNC(=O)CCC1=NNN=N1	REAL000000008424	1	44	0.0	-12.57	366.35	2.92	-9.65
COCCOC1=CC(C)=CC=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008425	0	50	0.0	-18.71	412.96	6.55	-12.16
COCCOC1=CC(C)=CC=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008426	0	47	0.0	-12.23	398.44	3.48	-8.75
CN1C2=C(C(=O)N(C)C1=O)N(CC(=O)NNC(=O)CCCC1=NN=N[N-]1)C=N2	REAL000000008427	0	45	-1.0	-57.39	391.05	3.08	-54.31
CN1C2=C(C(=O)N(C)C1=O)N(CC(=O)NNC(=O)CCCC1=N[N-]N=N1)C=N2	REAL000000008427	1	45	-1.0	-57.38	390.99	3.07	-54.31
CN1C2=C(C(=O)N(C)C1=O)N(CC(=O)NNC(=O)CCCC1=NNN=N1)C=N2	REAL000000008427	1	46	0.0	-25.87	393.82	3.10	-22.77
CN1C2=C(C(=O)N(C)C1=O)N(CC(=O)NNC(=O)CCC1=NN=N[N-]1)C=N2	REAL000000008428	0	42	-1.0	-51.84	369.55	2.30	-49.54
CN1C2=C(C(=O)N(C)C1=O)N(CC(=O)NNC(=O)CCC1=N[N-]N=N1)C=N2	REAL000000008428	1	42	-1.0	-51.83	369.49	2.29	-49.55
CN1C2=C(C(=O)N(C)C1=O)N(CC(=O)NNC(=O)CCC1=NNN=N1)C=N2	REAL000000008428	1	43	0.0	-23.30	372.93	2.31	-20.99
O=C(CCC1=NN=N[N-]1)NNC(=O)CN1CCN(C(=O)C2=CC=CC=C2)CC1	REAL000000008429	0	49	-1.0	-45.55	401.90	1.18	-44.37
O=C(CCC1=N[N-]N=N1)NNC(=O)CN1CCN(C(=O)C2=CC=CC=C2)CC1	REAL000000008429	1	49	-1.0	-45.55	401.84	1.17	-44.37
O=C(CCC1=NNN=N1)NNC(=O)CN1CCN(C(=O)C2=CC=CC=C2)CC1	REAL000000008429	1	50	0.0	-17.58	405.28	1.19	-16.39
O=C(NNC(=O)C1=NNC(=O)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008430	0	36	0.0	-17.63	322.32	0.55	-17.08
O=C([N-]NC(=O)C1=NNC(=O)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008431	0	32	-1.0	-45.58	306.29	-3.32	-48.91
CC1=CC=C(CN2CCN(CC(=O)NNC(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL000000008432	0	53	-1.0	-42.57	425.29	1.39	-41.18
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC(C(F)F)CC1	REAL000000008433	0	39	0.0	-19.51	315.39	6.93	-12.57
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC(C(F)F)CC1	REAL000000008434	0	36	0.0	-9.67	300.67	4.67	-5.00
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(Br)N=C1	REAL000000008435	0	28	-1.0	-46.66	269.66	2.10	-44.56
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(Br)N=C1	REAL000000008435	1	28	-1.0	-46.64	269.60	2.10	-44.55
O=C(CCCC1=NNN=N1)NC1=CC=C(Br)N=C1	REAL000000008435	1	29	0.0	-15.21	272.82	2.12	-13.08
O=C(NC1=CC=C(Br)N=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008436	0	32	0.0	-15.51	298.49	4.99	-10.52
O=C(NC1=CC=C(Br)N=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008437	0	29	0.0	-9.19	283.42	1.91	-7.28
O=C(CCCC1=NN=N[N-]1)NC1=CC=CN(CC2=CC=C(F)C=C2)C1=O	REAL000000008438	0	42	-1.0	-63.77	366.52	6.97	-56.80
O=C(CCC1=N[N-]N=N1)NC1=CC=CN(CC2=CC=C(F)C=C2)C1=O	REAL000000008439	0	39	-1.0	-56.77	344.67	6.46	-50.32
O=C(CCC1=NNN=N1)NC1=CC=CN(CC2=CC=C(F)C=C2)C1=O	REAL000000008439	1	40	0.0	-22.99	348.42	6.18	-16.81
O=C(NC1=CC=CN(CC2=CC=C(F)C=C2)C1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL000000008440	0	42	-1.0	-52.39	376.82	7.04	-45.35
C[NH+](C)CCN(CC1=CC=CO1)C(=O)CCCC1=NN=N[N-]1	REAL000000008441	0	44	0.0	-67.93	350.30	5.81	-62.12
C[NH+](C)CCN(CC1=CC=CO1)C(=O)CCCC1=N[N-]N=N1	REAL000000008441	1	44	0.0	-67.91	350.25	5.81	-62.10
C[NH+](C)CCN(CC1=CC=CO1)C(=O)CCCC1=NNN=N1	REAL000000008441	1	45	1.0	-46.69	358.79	6.02	-40.67
C[NH+](C)CCN(CC1=CC=CO1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008442	0	48	1.0	-62.67	381.65	8.30	-54.37
C[NH+](C)CCN(CC1=CC=CO1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008443	0	45	1.0	-50.72	365.03	6.67	-44.04
O=C(CCCC1=NN=N[N-]1)NC(C1=CC=CC=C1F)C1CCCC1	REAL000000008444	0	45	-1.0	-49.00	353.55	6.72	-42.28
O=C(CCCC1=N[N-]N=N1)NC(C1=CC=CC=C1F)C1CCCC1	REAL000000008444	1	45	-1.0	-48.98	353.50	6.71	-42.27
O=C(CCCC1=NNN=N1)NC(C1=CC=CC=C1F)C1CCCC1	REAL000000008444	1	46	0.0	-15.19	356.93	6.73	-8.46
O=C(CCC1=NN=N[N-]1)NC(C1=CC=CC=C1F)C1CCCC1	REAL000000008445	0	42	-1.0	-40.51	332.05	5.94	-34.57
O=C(CCC1=N[N-]N=N1)NC(C1=CC=CC=C1F)C1CCCC1	REAL000000008445	1	42	-1.0	-40.51	332.00	5.93	-34.58
O=C(CCC1=NNN=N1)NC(C1=CC=CC=C1F)C1CCCC1	REAL000000008445	1	43	0.0	-10.78	335.43	5.94	-4.84
O=C(NC(C1=CC=CC=C1F)C1CCCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008446	0	49	0.0	-16.82	382.03	9.58	-7.24
O=C(NC(C1=CC=CC=C1F)C1CCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008447	0	46	0.0	-10.20	371.92	7.13	-3.07
O=C(NC1CCC(F)(F)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008448	0	36	0.0	-18.16	304.87	5.63	-12.53
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCN2C(=O)OCC2C1	REAL000000008449	0	39	0.0	-19.74	316.36	4.46	-15.27
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCN2C(=O)OCC2C1	REAL000000008450	0	36	0.0	-15.28	300.08	2.25	-13.03
COC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL000000008451	0	44	-1.0	-49.78	350.64	5.01	-44.77
COC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL000000008451	1	44	-1.0	-49.78	350.58	5.01	-44.76
COC(=O)C(NC(=O)CCCC1=NNN=N1)C1CCCCC1	REAL000000008451	1	45	0.0	-15.75	354.01	5.02	-10.73
COC(=O)C(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CCCCC1	REAL000000008452	0	48	0.0	-18.23	379.13	7.87	-10.36
COC(=O)C(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCCCC1	REAL000000008453	0	45	0.0	-11.64	361.57	4.58	-7.06
CC1C2=CC(Cl)=CC(Cl)=C2CCN1C(=O)CCCC1=NN=N[N-]1	REAL000000008454	0	39	-1.0	-46.45	345.03	7.42	-39.03
CC1C2=CC(Cl)=CC(Cl)=C2CCN1C(=O)CCCC1=N[N-]N=N1	REAL000000008454	1	39	-1.0	-46.44	344.97	7.41	-39.03
CC1C2=CC(Cl)=CC(Cl)=C2CCN1C(=O)CCCC1=NNN=N1	REAL000000008454	1	40	0.0	-13.08	340.80	7.22	-5.86
CC1C2=CC(Cl)=CC(Cl)=C2CCN1C(=O)CCC1=NN=N[N-]1	REAL000000008455	0	36	-1.0	-38.12	323.53	6.63	-31.49
CC1C2=CC(Cl)=CC(Cl)=C2CCN1C(=O)CCC1=N[N-]N=N1	REAL000000008455	1	36	-1.0	-38.11	323.48	6.63	-31.49
CC1C2=CC(Cl)=CC(Cl)=C2CCN1C(=O)CCC1=NNN=N1	REAL000000008455	1	37	0.0	-9.61	326.91	6.64	-2.97
CC1C2=CC(Cl)=CC(Cl)=C2CCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008456	0	40	0.0	-7.86	348.74	7.41	-0.44
CS(=O)(=O)NC1=CC=CC(F)=C1CNC(=O)CCCC1=NN=N[N-]1	REAL000000008457	0	40	-1.0	-55.08	354.14	0.31	-54.76
CS(=O)(=O)NC1=CC=CC(F)=C1CNC(=O)CCCC1=N[N-]N=N1	REAL000000008457	1	40	-1.0	-55.06	354.08	0.30	-54.76
CS(=O)(=O)NC1=CC=CC(F)=C1CNC(=O)CCCC1=NNN=N1	REAL000000008457	1	41	0.0	-22.11	357.52	0.32	-21.78
CS(=O)(=O)NC1=CC=CC(F)=C1CNC(=O)CCC1=NN=N[N-]1	REAL000000008458	0	37	-1.0	-46.41	332.66	-0.47	-46.88
CS(=O)(=O)NC1=CC=CC(F)=C1CNC(=O)CCC1=N[N-]N=N1	REAL000000008458	1	37	-1.0	-46.41	332.60	-0.48	-46.89
CS(=O)(=O)NC1=CC=CC(F)=C1CNC(=O)CCC1=NNN=N1	REAL000000008458	1	38	0.0	-17.73	336.04	-0.46	-18.20
CS(=O)(=O)NC1=CC=CC(F)=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008459	0	41	0.0	-15.87	368.89	0.08	-15.79
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(Cl)C(Br)=C1	REAL000000008460	0	29	-1.0	-45.10	289.17	4.45	-40.65
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(Cl)C(Br)=C1	REAL000000008460	1	29	-1.0	-45.08	289.11	4.45	-40.63
O=C(CCCC1=NNN=N1)NC1=CC=C(Cl)C(Br)=C1	REAL000000008460	1	30	0.0	-13.50	292.55	4.46	-9.04
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Cl)C(Br)=C1	REAL000000008461	0	26	-1.0	-37.06	267.67	3.67	-33.39
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Cl)C(Br)=C1	REAL000000008461	1	26	-1.0	-37.06	267.62	3.67	-33.38
O=C(CCC1=NNN=N1)NC1=CC=C(Cl)C(Br)=C1	REAL000000008461	1	27	0.0	-12.05	271.35	3.67	-8.39
O=C(NC1=CC=C(Cl)C(Br)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008462	0	33	0.0	-17.31	317.73	7.31	-10.00
O=C(NC1=CC=C(Cl)C(Br)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008463	0	30	0.0	-9.93	303.41	4.23	-5.70
COC1=CC=C(F)C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000008464	0	37	0.0	-16.65	317.48	5.67	-10.98
COC1=CC=C(F)C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000008465	0	34	0.0	-10.71	302.45	2.59	-8.12
O=C(CCCC1=NN=N[N-]1)NC1=NC=CN1CC1=CC=C(Br)C=C1	REAL000000008466	0	39	-1.0	-58.15	355.99	9.09	-49.06
O=C(CCCC1=N[N-]N=N1)NC1=NC=CN1CC1=CC=C(Br)C=C1	REAL000000008466	1	39	-1.0	-58.13	355.93	9.08	-49.05
O=C(CCCC1=NNN=N1)NC1=NC=CN1CC1=CC=C(Br)C=C1	REAL000000008466	1	40	0.0	-24.43	359.38	9.10	-15.33
O=C(CCC1=NN=N[N-]1)NC1=NC=CN1CC1=CC=C(Br)C=C1	REAL000000008467	0	36	-1.0	-48.27	334.49	8.31	-39.96
O=C(CCC1=N[N-]N=N1)NC1=NC=CN1CC1=CC=C(Br)C=C1	REAL000000008467	1	36	-1.0	-48.26	334.43	8.30	-39.96
O=C(CCC1=NNN=N1)NC1=NC=CN1CC1=CC=C(Br)C=C1	REAL000000008467	1	37	0.0	-19.32	337.87	8.32	-11.00
CN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=C(Br)C1=O	REAL000000008468	0	32	-1.0	-56.17	301.94	2.77	-53.40
CN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=C(Br)C1=O	REAL000000008468	1	32	-1.0	-56.16	301.88	2.77	-53.38
CN1C=C(NC(=O)CCCC2=NNN=N2)C=C(Br)C1=O	REAL000000008468	1	33	0.0	-24.37	305.32	2.78	-21.58
CN1C=C(NC(=O)CCC2=NN=N[N-]2)C=C(Br)C1=O	REAL000000008469	0	29	-1.0	-46.67	280.44	1.99	-44.68
CN1C=C(NC(=O)CCC2=N[N-]N=N2)C=C(Br)C1=O	REAL000000008469	1	29	-1.0	-46.66	280.38	1.99	-44.67
CN1C=C(NC(=O)CCC2=NNN=N2)C=C(Br)C1=O	REAL000000008469	1	30	0.0	-20.49	283.34	2.01	-18.49
CN1C=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C(Br)C1=O	REAL000000008470	0	36	0.0	-25.25	330.27	5.63	-19.61
CN1C=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C(Br)C1=O	REAL000000008471	0	33	0.0	-17.38	315.93	2.57	-14.81
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(N2CCCC2)=C1	REAL000000008472	0	47	-1.0	-47.34	374.49	4.85	-42.49
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(N2CCCC2)=C1	REAL000000008472	1	47	-1.0	-47.32	374.44	4.84	-42.47
CC(NC(=O)CCCC1=NNN=N1)C1=CC=CC(N2CCCC2)=C1	REAL000000008472	1	48	0.0	-14.13	377.87	4.86	-9.27
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(N2CCCC2)=C1	REAL000000008473	0	44	-1.0	-39.44	353.00	4.06	-35.38
CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(N2CCCC2)=C1	REAL000000008473	1	44	-1.0	-39.44	352.94	4.06	-35.37
CC(NC(=O)CCC1=NNN=N1)C1=CC=CC(N2CCCC2)=C1	REAL000000008473	1	45	0.0	-10.41	356.37	4.07	-6.34
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC(N2CCCC2)=C1	REAL000000008474	0	51	0.0	-15.83	403.35	7.68	-8.14
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC(N2CCCC2)=C1	REAL000000008475	0	48	0.0	-9.02	388.47	4.65	-4.37
O=C(NOCC(F)(F)F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008476	0	30	0.0	-21.07	280.70	4.87	-16.20
O=C(CCCC1=NN=N[N-]1)NC1(C2=CC=CC(Cl)=C2)CCCC1	REAL000000008477	0	42	-1.0	-47.15	346.86	6.49	-40.66
O=C(CCCC1=N[N-]N=N1)NC1(C2=CC=CC(Cl)=C2)CCCC1	REAL000000008477	1	42	-1.0	-47.14	346.80	6.49	-40.65
O=C(CCCC1=NNN=N1)NC1(C2=CC=CC(Cl)=C2)CCCC1	REAL000000008477	1	43	0.0	-14.03	350.24	6.50	-7.52
O=C(CCC1=NN=N[N-]1)NC1(C2=CC=CC(Cl)=C2)CCCC1	REAL000000008478	0	39	-1.0	-39.45	325.34	5.71	-33.74
O=C(CCC1=N[N-]N=N1)NC1(C2=CC=CC(Cl)=C2)CCCC1	REAL000000008478	1	39	-1.0	-39.45	325.28	5.70	-33.75
O=C(CCC1=NNN=N1)NC1(C2=CC=CC(Cl)=C2)CCCC1	REAL000000008478	1	40	0.0	-10.05	328.71	5.72	-4.33
O=C(NC1(C2=CC=CC(Cl)=C2)CCCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008479	0	46	0.0	-15.26	375.58	9.34	-5.92
O=C(NC1(C2=CC=CC(Cl)=C2)CCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008480	0	43	0.0	-8.78	360.82	6.29	-2.48
CNS(=O)(=O)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1C	REAL000000008481	0	40	-1.0	-53.24	342.31	0.60	-52.64
CNS(=O)(=O)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1C	REAL000000008481	1	40	-1.0	-53.22	342.25	0.59	-52.63
CNS(=O)(=O)C1=CC=CC(NC(=O)CCCC2=NNN=N2)=C1C	REAL000000008481	1	41	0.0	-20.88	344.66	0.56	-20.31
CNS(=O)(=O)C1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1C	REAL000000008482	0	37	-1.0	-44.30	319.84	-0.27	-44.57
CNS(=O)(=O)C1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1C	REAL000000008482	1	37	-1.0	-44.29	319.78	-0.27	-44.56
CNS(=O)(=O)C1=CC=CC(NC(=O)CCC2=NNN=N2)=C1C	REAL000000008482	1	38	0.0	-16.55	323.21	-0.26	-16.81
CNS(=O)(=O)C1=CC=CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1C	REAL000000008483	0	44	0.0	-21.63	370.47	3.43	-18.20
CNS(=O)(=O)C1=CC=CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1C	REAL000000008484	0	41	0.0	-15.03	356.10	0.37	-14.65
C[N@@H+]1CCCC2CN(C(=O)C3=CC=CC(NC4=NNN=N4)=C3)CCC21	REAL000000008485	0	49	1.0	-50.82	359.86	8.02	-42.80
C[N@H+]1CCCC2CN(C(=O)C3=CC=CC(NC4=NNN=N4)=C3)CCC21	REAL000000008485	1	49	1.0	-49.06	360.26	8.15	-40.91
C[N@@H+]1CCCC2CN(C(=O)C3=CC=C(C4=NNN=N4)C=N3)CCC21	REAL000000008486	0	46	1.0	-41.34	344.46	5.89	-35.46
C[N@H+]1CCCC2CN(C(=O)C3=CC=C(C4=NNN=N4)C=N3)CCC21	REAL000000008486	1	46	1.0	-42.83	337.24	5.47	-37.36
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCOC2(C1)CCCCCC2	REAL000000008488	0	50	0.0	-15.19	358.62	7.98	-7.22
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCOC2(C1)CCCCCC2	REAL000000008489	0	47	0.0	-8.51	343.13	5.81	-2.70
CC1N(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCOC1(C)C	REAL000000008490	0	43	0.0	-14.88	327.66	5.80	-9.08
CC1N(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CCOC1(C)C	REAL000000008491	0	40	0.0	-9.02	311.00	3.59	-5.43
O=C(CCCC1=NN=N[N-]1)N1CCC(N2CCCCC2=O)CC1	REAL000000008492	0	46	-1.0	-55.29	350.49	5.07	-50.22
O=C(CCCC1=N[N-]N=N1)N1CCC(N2CCCCC2=O)CC1	REAL000000008492	1	46	-1.0	-55.29	350.43	5.08	-50.21
O=C(CCCC1=NNN=N1)N1CCC(N2CCCCC2=O)CC1	REAL000000008492	1	47	0.0	-19.72	353.86	5.08	-14.63
O=C(CCC1=NN=N[N-]1)N1CCC(N2CCCCC2=O)CC1	REAL000000008493	0	43	-1.0	-47.97	328.88	4.29	-43.69
O=C(CCC1=N[N-]N=N1)N1CCC(N2CCCCC2=O)CC1	REAL000000008493	1	43	-1.0	-47.98	328.82	4.29	-43.69
O=C(CCC1=NNN=N1)N1CCC(N2CCCCC2=O)CC1	REAL000000008493	1	44	0.0	-15.10	332.25	4.30	-10.80
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC(N2CCCCC2=O)CC1	REAL000000008494	0	50	0.0	-24.13	377.22	7.56	-16.57
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC(N2CCCCC2=O)CC1	REAL000000008495	0	47	0.0	-15.67	361.50	5.32	-10.35
CC(CC1=CC=C(F)C(Br)=C1)NC(=O)CCCC1=NN=N[N-]1	REAL000000008496	0	38	-1.0	-51.92	345.92	5.92	-45.99
CC(CC1=CC=C(F)C(Br)=C1)NC(=O)CCCC1=N[N-]N=N1	REAL000000008496	1	38	-1.0	-51.90	345.87	5.93	-45.97
CC(CC1=CC=C(F)C(Br)=C1)NC(=O)CCCC1=NNN=N1	REAL000000008496	1	39	0.0	-16.12	349.24	5.94	-10.18
CC(CC1=CC=C(F)C(Br)=C1)NC(=O)CCC1=NN=N[N-]1	REAL000000008497	0	35	-1.0	-43.75	324.36	5.15	-38.60
CC(CC1=CC=C(F)C(Br)=C1)NC(=O)CCC1=N[N-]N=N1	REAL000000008497	1	35	-1.0	-43.75	324.31	5.14	-38.61
CC(CC1=CC=C(F)C(Br)=C1)NC(=O)CCC1=NNN=N1	REAL000000008497	1	36	0.0	-14.21	327.80	5.16	-9.05
O=C(CCCC1=NN=N[N-]1)NCCC(=O)OCC1=CC=CC=C1	REAL000000008498	0	41	-1.0	-53.74	356.46	5.20	-48.54
O=C(CCCC1=N[N-]N=N1)NCCC(=O)OCC1=CC=CC=C1	REAL000000008498	1	41	-1.0	-53.72	356.40	5.19	-48.53
O=C(CCCC1=NNN=N1)NCCC(=O)OCC1=CC=CC=C1	REAL000000008498	1	42	0.0	-20.38	359.84	5.21	-15.17
O=C(CCC1=NN=N[N-]1)NCCC(=O)OCC1=CC=CC=C1	REAL000000008499	0	38	-1.0	-44.69	334.96	4.42	-40.27
O=C(CCC1=N[N-]N=N1)NCCC(=O)OCC1=CC=CC=C1	REAL000000008499	1	38	-1.0	-44.69	334.90	4.41	-40.28
O=C(CCC1=NNN=N1)NCCC(=O)OCC1=CC=CC=C1	REAL000000008499	1	39	0.0	-15.83	338.34	4.43	-11.40
O=C(CCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)OCC1=CC=CC=C1	REAL000000008500	0	45	0.0	-22.00	384.99	8.06	-13.95
O=C(CCNC(=O)C1=CC=C(C2=NNN=N2)C=N1)OCC1=CC=CC=C1	REAL000000008501	0	42	0.0	-13.91	370.44	5.00	-8.92
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C1=NC=CO1	REAL000000008502	0	38	-1.0	-58.32	327.85	2.30	-56.02
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C1=NC=CO1	REAL000000008502	1	38	-1.0	-58.31	327.79	2.29	-56.02
CC1=CC=C(NC(=O)CCCC2=NNN=N2)C=C1C1=NC=CO1	REAL000000008502	1	39	0.0	-22.94	331.23	2.31	-20.63
CC1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1C1=NC=CO1	REAL000000008503	0	42	0.0	-25.01	356.90	5.16	-19.84
CC1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1C1=NC=CO1	REAL000000008504	0	39	0.0	-14.25	339.00	3.21	-11.04
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=C(C2=CC=CC=C2)C=C1	REAL000000008505	0	45	-1.0	-50.00	374.86	7.68	-42.32
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=C(C2=CC=CC=C2)C=C1	REAL000000008505	1	45	-1.0	-49.99	374.80	7.67	-42.32
O=C(CCCC1=NNN=N1)NCCC1=CC=C(C2=CC=CC=C2)C=C1	REAL000000008505	1	46	0.0	-16.91	378.24	7.69	-9.22
O=C(CCC1=NN=N[N-]1)NCCC1=CC=C(C2=CC=CC=C2)C=C1	REAL000000008506	0	42	-1.0	-41.94	353.36	6.90	-35.04
O=C(CCC1=N[N-]N=N1)NCCC1=CC=C(C2=CC=CC=C2)C=C1	REAL000000008506	1	42	-1.0	-41.93	353.30	6.89	-35.04
O=C(CCC1=NNN=N1)NCCC1=CC=C(C2=CC=CC=C2)C=C1	REAL000000008506	1	43	0.0	-12.79	356.74	6.91	-5.88
O=C(NCCC1=CC=C(C2=CC=CC=C2)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008507	0	49	0.0	-18.65	403.39	10.54	-8.11
O=C(NCCC1=CC=C(C2=CC=CC=C2)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008508	0	46	0.0	-11.45	388.83	7.48	-3.98
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)N=C2)CC1	REAL000000008509	0	52	0.0	-78.99	396.01	5.29	-73.70
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)N=C2)CC1	REAL000000008509	1	52	0.0	-78.99	395.95	5.29	-73.70
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCCC3=NNN=N3)N=C2)CC1	REAL000000008509	1	53	1.0	-51.96	399.39	5.30	-46.66
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)N=C2)CC1	REAL000000008510	0	49	0.0	-71.38	374.51	4.50	-66.87
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)N=C2)CC1	REAL000000008510	1	49	0.0	-71.37	374.46	4.51	-66.87
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCC3=NNN=N3)N=C2)CC1	REAL000000008510	1	50	1.0	-47.97	377.89	4.52	-43.45
C[NH+](C)C1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)N=C2)CC1	REAL000000008511	0	53	1.0	-46.88	409.98	5.08	-41.80
CC1CCCC[N@@H+]1CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL000000008512	0	57	0.0	-73.27	412.19	8.57	-64.71
CC1CCCC[N@H+]1CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL000000008512	1	57	0.0	-73.29	412.21	8.57	-64.72
CC1CCCC[N@@H+]1CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL000000008512	1	57	0.0	-73.27	412.13	8.57	-64.70
CC1CCCC[N@H+]1CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL000000008512	1	57	0.0	-73.26	412.15	8.57	-64.70
CC1CCCC[N@@H+]1CCC1CCN(C(=O)CCCC2=NNN=N2)CC1	REAL000000008512	1	58	1.0	-49.62	408.83	8.28	-41.34
CC1CCCC[N@H+]1CCC1CCN(C(=O)CCCC2=NNN=N2)CC1	REAL000000008512	1	58	1.0	-49.01	415.58	8.58	-40.44
CC1CCCC[N@@H+]1CCC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL000000008513	0	54	0.0	-62.65	390.66	7.79	-54.86
CC1CCCC[N@H+]1CCC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL000000008513	1	54	0.0	-62.95	390.65	7.78	-55.17
CC1CCCC[N@@H+]1CCC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL000000008513	1	54	0.0	-62.65	390.60	7.78	-54.87
CC1CCCC[N@H+]1CCC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL000000008513	1	54	0.0	-62.95	390.59	7.77	-55.18
CC1CCCC[N@@H+]1CCC1CCN(C(=O)CCC2=NNN=N2)CC1	REAL000000008513	1	55	1.0	-44.52	387.33	7.50	-37.02
CC1CCCC[N@H+]1CCC1CCN(C(=O)CCC2=NNN=N2)CC1	REAL000000008513	1	55	1.0	-44.43	387.37	7.50	-36.93
CC1CCCC[N@@H+]1CCC1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008514	0	61	1.0	-50.23	433.56	10.78	-39.45
CC1CCCC[N@H+]1CCC1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008514	1	61	1.0	-50.48	434.44	10.69	-39.79
CC1CCCC[N@@H+]1CCC1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008515	0	58	1.0	-42.73	423.73	8.77	-33.96
CC1CCCC[N@H+]1CCC1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008515	1	58	1.0	-43.23	416.97	8.47	-34.76
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(OCC2CCOC2)=C1	REAL000000008516	0	50	-1.0	-50.56	407.01	4.57	-45.99
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(OCC2CCOC2)=C1	REAL000000008516	1	50	-1.0	-50.55	406.96	4.57	-45.97
CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(OCC2CCOC2)=C1	REAL000000008516	1	51	0.0	-15.47	410.40	4.58	-10.89
CC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C(OCC2CCOC2)=C1	REAL000000008517	0	47	-1.0	-43.87	385.52	3.79	-40.08
CC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C(OCC2CCOC2)=C1	REAL000000008517	1	47	-1.0	-43.87	385.46	3.79	-40.08
CC1=CC=C(CNC(=O)CCC2=NNN=N2)C(OCC2CCOC2)=C1	REAL000000008517	1	48	0.0	-11.97	388.90	3.80	-8.17
CC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(OCC2CCOC2)=C1	REAL000000008518	0	51	0.0	-11.57	420.99	4.36	-7.21
COCCCOC1=CC(C)=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL000000008519	0	49	-1.0	-50.48	406.01	4.28	-46.19
COCCCOC1=CC(C)=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL000000008519	1	49	-1.0	-50.47	405.95	4.28	-46.19
COCCCOC1=CC(C)=CC=C1CNC(=O)CCCC1=NNN=N1	REAL000000008519	1	50	0.0	-15.71	409.38	4.29	-11.41
COCCCOC1=CC(C)=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL000000008520	0	46	-1.0	-43.44	384.52	3.50	-39.93
COCCCOC1=CC(C)=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL000000008520	1	46	-1.0	-43.43	384.46	3.50	-39.93
COCCCOC1=CC(C)=CC=C1CNC(=O)CCC1=NNN=N1	REAL000000008520	1	47	0.0	-12.02	387.89	3.51	-8.51
COCCCOC1=CC(C)=CC=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008521	0	53	0.0	-18.07	434.51	7.15	-10.92
COCCCOC1=CC(C)=CC=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008522	0	50	0.0	-11.73	419.99	4.08	-7.65
CCNS(=O)(=O)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL000000008523	0	43	-1.0	-51.20	376.79	0.49	-50.71
CCNS(=O)(=O)C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL000000008523	1	43	-1.0	-51.18	376.73	0.49	-50.69
CCNS(=O)(=O)C1=CC=C(CNC(=O)CCCC2=NNN=N2)C=C1	REAL000000008523	1	44	0.0	-18.77	380.17	0.50	-18.28
CCNS(=O)(=O)C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL000000008524	0	40	-1.0	-44.65	355.29	-0.29	-44.94
CCNS(=O)(=O)C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL000000008524	1	40	-1.0	-44.64	355.23	-0.30	-44.95
CCNS(=O)(=O)C1=CC=C(CNC(=O)CCC2=NNN=N2)C=C1	REAL000000008524	1	41	0.0	-15.42	358.66	-0.28	-15.70
CCNS(=O)(=O)C1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000008525	0	44	0.0	-14.58	390.76	0.28	-14.29
CCOC1=CC(Br)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000008526	0	36	-1.0	-45.57	325.02	4.34	-41.23
CCOC1=CC(Br)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000008526	1	36	-1.0	-45.56	324.96	4.34	-41.22
CCOC1=CC(Br)=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000008526	1	37	0.0	-12.66	327.58	4.36	-8.31
CCOC1=CC(Br)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL000000008527	0	33	-1.0	-38.18	302.71	3.57	-34.61
CCOC1=CC(Br)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL000000008527	1	33	-1.0	-38.17	302.65	3.56	-34.61
CCOC1=CC(Br)=CC=C1NC(=O)CCC1=NNN=N1	REAL000000008527	1	34	0.0	-8.96	306.08	3.57	-5.39
CCOC1=CC(Br)=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008528	0	37	0.0	-8.24	338.16	4.14	-4.10
O=C(CC1COCCN1C(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL000000008529	0	45	-1.0	-45.80	359.96	5.36	-40.44
O=C(CC1COCCN1C(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL000000008529	1	45	-1.0	-45.78	359.90	5.36	-40.42
O=C(CC1COCCN1C(=O)CCCC1=NNN=N1)C1=CC=CC=C1	REAL000000008529	1	46	0.0	-14.97	363.34	5.37	-9.60
O=C(CC1COCCN1C(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL000000008530	0	42	-1.0	-45.06	338.05	5.58	-39.48
O=C(CC1COCCN1C(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL000000008530	1	42	-1.0	-45.05	338.00	5.57	-39.48
O=C(CC1COCCN1C(=O)CCC1=NNN=N1)C1=CC=CC=C1	REAL000000008530	1	43	0.0	-14.04	341.43	5.59	-8.45
O=C(CC1COCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC=C1	REAL000000008531	0	49	0.0	-18.47	386.34	8.77	-9.70
O=C(CC1COCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC=C1	REAL000000008532	0	46	0.0	-14.20	370.09	6.64	-7.55
CC(CC(O)C1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL000000008533	0	42	-1.0	-50.62	348.69	2.96	-47.66
CC(CC(O)C1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL000000008533	1	42	-1.0	-50.60	348.63	2.96	-47.64
CC(CC(O)C1=CC=CC=C1)NC(=O)CCCC1=NNN=N1	REAL000000008533	1	43	0.0	-16.44	352.27	2.96	-13.49
CC(CC(O)C1=CC=CC=C1)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008534	0	46	0.0	-18.95	374.95	6.41	-12.54
CC(CC(O)C1=CC=CC=C1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008535	0	43	0.0	-11.33	360.40	3.35	-7.98
CC(CC(=O)C1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL000000008536	0	40	-1.0	-56.29	340.23	5.23	-51.06
CC(CC(=O)C1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL000000008536	1	40	-1.0	-56.28	340.17	5.22	-51.06
CC(CC(=O)C1=CC=CC=C1)NC(=O)CCCC1=NNN=N1	REAL000000008536	1	41	0.0	-20.30	343.60	5.24	-15.07
CC(CC(=O)C1=CC=CC=C1)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008537	0	44	0.0	-23.68	368.75	8.09	-15.59
CC(CC(=O)C1=CC=CC=C1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008538	0	41	0.0	-16.34	354.20	5.03	-11.32
CC1=CC(OC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)=NN1	REAL000000008539	0	40	-1.0	-54.79	340.61	2.50	-52.29
CC1=CC(OC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)=NN1	REAL000000008539	1	40	-1.0	-54.78	340.56	2.50	-52.27
CC1=CC(OC2=CC=C(NC(=O)CCCC3=NNN=N3)C=C2)=NN1	REAL000000008539	1	41	0.0	-21.05	343.99	2.51	-18.54
CC1=CC(OC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)=NN1	REAL000000008540	0	37	-1.0	-46.12	319.16	1.73	-44.39
CC1=CC(OC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)=NN1	REAL000000008540	1	37	-1.0	-46.12	319.11	1.72	-44.39
CC1=CC(OC2=CC=C(NC(=O)CCC3=NNN=N3)C=C2)=NN1	REAL000000008540	1	38	0.0	-16.68	322.54	1.74	-14.94
CC1=CC(OC2=CC=C(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)C=C2)=NN1	REAL000000008541	0	44	0.0	-20.49	368.24	5.45	-15.04
CC1=CC(OC2=CC=C(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)C=C2)=NN1	REAL000000008542	0	41	0.0	-13.69	354.59	2.30	-11.38
O=C(CC1CCCCCN1C(=O)CCCC1=NN=N[N-]1)C1=CC=CO1	REAL000000008543	0	47	-1.0	-48.65	365.90	7.23	-41.41
O=C(CC1CCCCCN1C(=O)CCCC1=N[N-]N=N1)C1=CC=CO1	REAL000000008543	1	47	-1.0	-48.64	365.85	7.24	-41.40
O=C(CC1CCCCCN1C(=O)CCCC1=NNN=N1)C1=CC=CO1	REAL000000008543	1	48	0.0	-14.30	369.28	7.24	-7.06
O=C(CC1CCCCCN1C(=O)CCC1=NN=N[N-]1)C1=CC=CO1	REAL000000008544	0	44	-1.0	-44.05	345.97	6.69	-37.36
O=C(CC1CCCCCN1C(=O)CCC1=N[N-]N=N1)C1=CC=CO1	REAL000000008544	1	44	-1.0	-44.06	345.91	6.68	-37.38
O=C(CC1CCCCCN1C(=O)CCC1=NNN=N1)C1=CC=CO1	REAL000000008544	1	45	0.0	-10.87	349.36	6.70	-4.17
O=C(CC1CCCCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CO1	REAL000000008545	0	51	0.0	-16.55	393.81	9.68	-6.88
O=C(CC1CCCCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CO1	REAL000000008546	0	48	0.0	-11.87	376.55	7.55	-4.32
O=C(CCCC1=NN=N[N-]1)N1CC2CCCCC21C1=CC=CC=C1	REAL000000008547	0	46	-1.0	-51.42	358.22	8.16	-43.26
O=C(CCCC1=N[N-]N=N1)N1CC2CCCCC21C1=CC=CC=C1	REAL000000008547	1	46	-1.0	-51.42	358.16	8.16	-43.26
O=C(CCCC1=NNN=N1)N1CC2CCCCC21C1=CC=CC=C1	REAL000000008547	1	47	0.0	-15.17	361.60	8.17	-7.01
O=C(CCC1=NN=N[N-]1)N1CC2CCCCC21C1=CC=CC=C1	REAL000000008548	0	43	-1.0	-44.11	336.77	7.38	-36.73
O=C(CCC1=N[N-]N=N1)N1CC2CCCCC21C1=CC=CC=C1	REAL000000008548	1	43	-1.0	-44.11	336.71	7.38	-36.73
O=C(CCC1=NNN=N1)N1CC2CCCCC21C1=CC=CC=C1	REAL000000008548	1	44	0.0	-10.43	337.41	7.97	-2.46
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CC2CCCCC21C1=CC=CC=C1	REAL000000008549	0	50	0.0	-19.26	385.12	10.45	-8.81
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CC2CCCCC21C1=CC=CC=C1	REAL000000008550	0	47	0.0	-11.44	371.40	8.07	-3.37
O=C(CCCC1=NN=N[N-]1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1	REAL000000008551	0	40	-1.0	-49.28	356.17	0.20	-49.08
O=C(CCCC1=N[N-]N=N1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1	REAL000000008551	1	40	-1.0	-49.28	356.11	0.20	-49.08
O=C(CCCC1=NNN=N1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1	REAL000000008551	1	41	0.0	-16.72	359.55	0.21	-16.51
O=C(CCC1=NN=N[N-]1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1	REAL000000008552	0	37	-1.0	-42.41	334.67	-0.58	-42.99
O=C(CCC1=N[N-]N=N1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1	REAL000000008552	1	37	-1.0	-42.41	334.62	-0.58	-42.99
O=C(CCC1=NNN=N1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1	REAL000000008552	1	38	0.0	-13.42	338.05	-0.57	-13.99
CN(C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CCC(C)(C)CC1	REAL000000008553	0	48	0.0	-10.50	355.35	8.48	-2.02
CN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCC(C)(C)CC1	REAL000000008554	0	45	0.0	-8.59	340.54	6.27	-2.32
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2CCS(=O)(=O)C2=C1	REAL000000008555	0	36	-1.0	-67.05	317.84	1.25	-65.80
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2CCS(=O)(=O)C2=C1	REAL000000008555	1	36	-1.0	-67.03	317.79	1.25	-65.78
O=C(CCCC1=NNN=N1)NC1=CC=C2CCS(=O)(=O)C2=C1	REAL000000008555	1	37	0.0	-30.45	320.98	1.27	-29.18
O=C(CCC1=NN=N[N-]1)NC1=CC=C2CCS(=O)(=O)C2=C1	REAL000000008556	0	33	-1.0	-57.10	296.10	0.48	-56.62
O=C(CCC1=N[N-]N=N1)NC1=CC=C2CCS(=O)(=O)C2=C1	REAL000000008556	1	33	-1.0	-57.10	296.05	0.47	-56.63
O=C(CCC1=NNN=N1)NC1=CC=C2CCS(=O)(=O)C2=C1	REAL000000008556	1	34	0.0	-25.11	299.48	0.49	-24.62
O=C(NC1=CC=C2CCS(=O)(=O)C2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008557	0	40	0.0	-32.51	346.76	4.06	-28.44
O=C(NC1=CC=C2CCS(=O)(=O)C2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008558	0	37	0.0	-23.95	331.57	1.05	-22.89
CC1=COC(C2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2C)=N1	REAL000000008559	0	41	-1.0	-58.54	346.67	3.16	-55.38
CC1=COC(C2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2C)=N1	REAL000000008559	1	41	-1.0	-58.54	346.61	3.15	-55.39
CC1=COC(C2=CC(NC(=O)CCCC3=NNN=N3)=CC=C2C)=N1	REAL000000008559	1	42	0.0	-23.01	350.05	3.17	-19.84
CC1=COC(C2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C2C)=N1	REAL000000008560	0	38	-1.0	-48.97	325.17	2.37	-46.60
CC1=COC(C2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C2C)=N1	REAL000000008560	1	38	-1.0	-48.97	325.11	2.36	-46.61
CC1=COC(C2=CC(NC(=O)CCC3=NNN=N3)=CC=C2C)=N1	REAL000000008560	1	39	0.0	-17.96	328.55	2.39	-15.57
CC1=COC(C2=CC(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=CC=C2C)=N1	REAL000000008561	0	45	0.0	-24.95	375.97	5.94	-19.01
CC1=COC(C2=CC(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=CC=C2C)=N1	REAL000000008562	0	42	0.0	-16.47	360.63	2.95	-13.52
COC1=CC(NC2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=CC(OC)=C1	REAL000000008563	0	52	-1.0	-49.70	408.58	4.09	-45.60
COC1=CC(NC2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=CC(OC)=C1	REAL000000008563	1	52	-1.0	-49.68	408.52	4.08	-45.60
COC1=CC(NC2CCN(C(=O)CCCC3=NNN=N3)CC2)=CC(OC)=C1	REAL000000008563	1	53	0.0	-16.59	411.96	4.10	-12.49
COC1=CC(NC2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=CC(OC)=C1	REAL000000008564	0	49	-1.0	-42.59	386.97	3.30	-39.29
COC1=CC(NC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=CC(OC)=C1	REAL000000008564	1	49	-1.0	-42.59	386.92	3.29	-39.29
COC1=CC(NC2CCN(C(=O)CCC3=NNN=N3)CC2)=CC(OC)=C1	REAL000000008564	1	50	0.0	-12.53	390.34	3.31	-9.22
CCCCN1C=CN=C1C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL000000008565	0	48	-1.0	-60.04	389.94	7.58	-52.46
CCCCN1C=CN=C1C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL000000008565	1	48	-1.0	-60.02	389.89	7.57	-52.45
CCCCN1C=CN=C1C1=CC=CC(NC(=O)CCCC2=NNN=N2)=C1	REAL000000008565	1	49	0.0	-23.78	393.32	7.59	-16.19
CCCCN1C=CN=C1C1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL000000008566	0	45	-1.0	-50.62	368.45	6.80	-43.82
CCCCN1C=CN=C1C1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL000000008566	1	45	-1.0	-50.61	368.39	6.79	-43.82
CCCCN1C=CN=C1C1=CC=CC(NC(=O)CCC2=NNN=N2)=C1	REAL000000008566	1	46	0.0	-19.17	371.82	6.79	-12.38
CCCCN1C=CN=C1C1=CC=CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000008567	0	49	0.0	-18.20	403.97	7.35	-10.85
CCC1=CC(Br)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000008568	0	35	-1.0	-46.15	312.38	5.61	-40.53
CCC1=CC(Br)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000008568	1	35	-1.0	-46.13	312.32	5.60	-40.52
CCC1=CC(Br)=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000008568	1	36	0.0	-13.72	315.75	5.62	-8.10
CCC1=CC(Br)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL000000008569	0	32	-1.0	-37.76	290.88	4.84	-32.93
CCC1=CC(Br)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL000000008569	1	32	-1.0	-37.76	290.82	4.83	-32.93
CCC1=CC(Br)=CC=C1NC(=O)CCC1=NNN=N1	REAL000000008569	1	33	0.0	-9.64	294.26	4.85	-4.79
CCC1=CC(Br)=CC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008570	0	39	0.0	-14.65	342.06	8.54	-6.11
CCC1=CC(Br)=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008571	0	36	0.0	-8.10	326.99	5.46	-2.64
O=C(CCCC1=NN=N[N-]1)NC(CCCCC1=CC=CC=C1)C1=CC=CC=C1	REAL000000008572	0	54	-1.0	-49.18	443.61	10.84	-38.33
O=C(CCCC1=N[N-]N=N1)NC(CCCCC1=CC=CC=C1)C1=CC=CC=C1	REAL000000008572	1	54	-1.0	-49.16	443.55	10.84	-38.32
O=C(CCCC1=NNN=N1)NC(CCCCC1=CC=CC=C1)C1=CC=CC=C1	REAL000000008572	1	55	0.0	-16.11	447.00	10.85	-5.26
O=C(CCC1=NN=N[N-]1)NC(CCCCC1=CC=CC=C1)C1=CC=CC=C1	REAL000000008573	0	51	-1.0	-41.22	422.11	10.06	-31.16
O=C(CCC1=N[N-]N=N1)NC(CCCCC1=CC=CC=C1)C1=CC=CC=C1	REAL000000008573	1	51	-1.0	-41.22	422.05	10.06	-31.16
O=C(CCC1=NNN=N1)NC(CCCCC1=CC=CC=C1)C1=CC=CC=C1	REAL000000008573	1	52	0.0	-11.89	425.50	10.07	-1.82
CC(C)OC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL000000008574	0	48	-1.0	-44.88	359.83	4.76	-40.12
CC(C)OC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL000000008574	1	48	-1.0	-44.87	359.77	4.76	-40.11
CC(C)OC1(CNC(=O)CCCC2=NNN=N2)CCCCC1	REAL000000008574	1	49	0.0	-11.63	363.20	4.77	-6.86
CC(C)OC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCCCC1	REAL000000008575	0	52	0.0	-13.10	389.26	7.88	-5.22
CC(C)OC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCCCC1	REAL000000008576	0	49	0.0	-7.60	375.08	4.57	-3.03
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(OC(C)C)=C1	REAL000000008577	0	45	-1.0	-48.23	368.77	5.05	-43.18
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(OC(C)C)=C1	REAL000000008577	1	45	-1.0	-48.23	368.72	5.04	-43.18
CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(OC(C)C)=C1	REAL000000008577	1	46	0.0	-14.16	372.15	5.06	-9.10
CC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C(OC(C)C)=C1	REAL000000008578	0	42	-1.0	-41.14	347.28	4.27	-36.87
CC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C(OC(C)C)=C1	REAL000000008578	1	42	-1.0	-41.13	347.22	4.26	-36.87
CC1=CC=C(CNC(=O)CCC2=NNN=N2)C(OC(C)C)=C1	REAL000000008578	1	43	0.0	-10.17	350.66	4.28	-5.89
CC1=CC=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(OC(C)C)=C1	REAL000000008579	0	49	0.0	-16.12	397.78	7.87	-8.25
CC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(OC(C)C)=C1	REAL000000008580	0	46	0.0	-10.02	382.74	4.84	-5.17
N#CCC1=CC=NC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000008581	0	36	0.0	-26.68	320.37	7.11	-19.58
N#CCC1=CC=NC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000008582	0	33	0.0	-19.17	305.62	4.00	-15.17
O=C(CCCC1=NN=N[N-]1)NCC1(N2CCOCC2)CCCOC1	REAL000000008583	0	49	-1.0	-48.43	362.48	-0.38	-48.81
O=C(CCCC1=N[N-]N=N1)NCC1(N2CCOCC2)CCCOC1	REAL000000008583	1	49	-1.0	-48.42	362.43	-0.39	-48.81
O=C(CCCC1=NNN=N1)NCC1(N2CCOCC2)CCCOC1	REAL000000008583	1	50	0.0	-15.01	365.86	-0.37	-15.38
O=C(CCC1=NN=N[N-]1)NCC1(N2CCOCC2)CCCOC1	REAL000000008584	0	46	-1.0	-40.60	340.99	-1.17	-41.77
O=C(CCC1=N[N-]N=N1)NCC1(N2CCOCC2)CCCOC1	REAL000000008584	1	46	-1.0	-40.60	340.93	-1.17	-41.78
O=C(CCC1=NNN=N1)NCC1(N2CCOCC2)CCCOC1	REAL000000008584	1	47	0.0	-10.94	344.36	-1.16	-12.10
O=C(NCC1(N2CCOCC2)CCCOC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008585	0	53	0.0	-16.84	391.01	2.47	-14.36
O=C(NCC1(N2CCOCC2)CCCOC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008586	0	50	0.0	-10.02	376.46	-0.59	-10.61
O=C(CCCC1=NN=N[N-]1)N1CCC(OC2=CC=CC=N2)C1	REAL000000008587	0	39	-1.0	-49.96	329.68	2.97	-46.99
O=C(CCCC1=N[N-]N=N1)N1CCC(OC2=CC=CC=N2)C1	REAL000000008587	1	39	-1.0	-49.95	329.62	2.97	-46.97
O=C(CCCC1=NNN=N1)N1CCC(OC2=CC=CC=N2)C1	REAL000000008587	1	40	0.0	-16.62	333.06	2.98	-13.64
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC(OC2=CC=CC=N2)C1	REAL000000008588	0	43	0.0	-15.52	352.51	5.35	-10.17
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC(OC2=CC=CC=N2)C1	REAL000000008589	0	40	0.0	-12.71	339.90	3.15	-9.57
O=C(CCCC1=NN=N[N-]1)NCC1=CSC(C2=CC=CO2)=N1	REAL000000008590	0	35	-1.0	-51.42	326.51	2.30	-49.12
O=C(CCCC1=N[N-]N=N1)NCC1=CSC(C2=CC=CO2)=N1	REAL000000008590	1	35	-1.0	-51.41	326.45	2.29	-49.12
O=C(CCCC1=NNN=N1)NCC1=CSC(C2=CC=CO2)=N1	REAL000000008590	1	36	0.0	-17.77	329.89	2.31	-15.46
O=C(CCC1=NN=N[N-]1)NCC1=CSC(C2=CC=CO2)=N1	REAL000000008591	0	32	-1.0	-44.73	305.01	1.51	-43.23
O=C(CCC1=N[N-]N=N1)NCC1=CSC(C2=CC=CO2)=N1	REAL000000008591	1	32	-1.0	-44.73	304.95	1.51	-43.22
O=C(CCC1=NNN=N1)NCC1=CSC(C2=CC=CO2)=N1	REAL000000008591	1	33	0.0	-13.92	308.39	1.53	-12.39
O=C(NCC1=CSC(C2=CC=CO2)=N1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008592	0	39	0.0	-19.36	355.44	5.12	-14.23
O=C(NCC1=CSC(C2=CC=CO2)=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008593	0	36	0.0	-13.72	340.48	2.09	-11.63
CCC(C)NS(=O)(=O)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL000000008594	0	46	-1.0	-51.73	390.82	1.86	-49.87
CCC(C)NS(=O)(=O)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL000000008594	1	46	-1.0	-51.72	390.76	1.85	-49.86
CCC(C)NS(=O)(=O)C1=CC=CC(NC(=O)CCCC2=NNN=N2)=C1	REAL000000008594	1	47	0.0	-19.38	394.20	1.87	-17.50
CCC(C)NS(=O)(=O)C1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL000000008595	0	43	-1.0	-44.06	369.32	1.08	-42.98
CCC(C)NS(=O)(=O)C1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL000000008595	1	43	-1.0	-44.06	369.26	1.08	-42.99
CCC(C)NS(=O)(=O)C1=CC=CC(NC(=O)CCC2=NNN=N2)=C1	REAL000000008595	1	44	0.0	-15.38	372.70	1.10	-14.28
CCOC1CC(N(C)C(=O)CCCC2=NN=N[N-]2)C12CCC2	REAL000000008596	0	46	-1.0	-51.87	356.51	5.32	-46.55
CCOC1CC(N(C)C(=O)CCCC2=N[N-]N=N2)C12CCC2	REAL000000008596	1	46	-1.0	-51.86	356.45	5.32	-46.53
CCOC1CC(N(C)C(=O)CCCC2=NNN=N2)C12CCC2	REAL000000008596	1	47	0.0	-17.08	359.89	5.33	-11.75
CCOC1CC(N(C)C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C12CCC2	REAL000000008597	0	50	0.0	-19.76	381.14	7.76	-12.00
CCOC1CC(N(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)C12CCC2	REAL000000008598	0	47	0.0	-9.47	363.22	6.16	-3.31
COC(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL000000008599	0	39	-1.0	-48.34	342.37	3.96	-44.38
COC(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL000000008599	1	39	-1.0	-48.32	342.31	3.96	-44.36
COC(CNC(=O)CCCC1=NNN=N1)C1=CC=CC=C1Cl	REAL000000008599	1	40	0.0	-14.96	345.74	3.97	-10.99
COC(CNC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL000000008600	0	36	-1.0	-40.57	323.94	3.10	-37.47
COC(CNC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL000000008600	1	36	-1.0	-40.57	323.88	3.10	-37.46
COC(CNC(=O)CCC1=NNN=N1)C1=CC=CC=C1Cl	REAL000000008600	1	37	0.0	-10.84	324.24	3.19	-7.65
COC(CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC=C1Cl	REAL000000008601	0	43	0.0	-16.28	373.86	6.75	-9.53
COC(CNC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC=C1Cl	REAL000000008602	0	40	0.0	-9.72	359.33	3.68	-6.04
CCOC1=CC=C(NC(=O)CN2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL000000008603	0	52	-1.0	-47.25	414.13	2.89	-44.37
CCOC1=CC=C(NC(=O)CN2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL000000008603	1	52	-1.0	-47.25	414.08	2.89	-44.36
CCOC1=CC=C(NC(=O)CN2CCN(C(=O)CCC3=NNN=N3)CC2)C=C1	REAL000000008603	1	53	0.0	-15.94	417.51	2.89	-13.05
O=C(CCCC1=NN=N[N-]1)N1CCN(CC2=CC=CC=C2Cl)CC1	REAL000000008604	0	44	-1.0	-47.31	366.33	5.43	-41.88
O=C(CCCC1=N[N-]N=N1)N1CCN(CC2=CC=CC=C2Cl)CC1	REAL000000008604	1	44	-1.0	-47.29	366.27	5.43	-41.86
O=C(CCCC1=NNN=N1)N1CCN(CC2=CC=CC=C2Cl)CC1	REAL000000008604	1	45	0.0	-14.54	369.71	5.45	-9.09
O=C(CCC1=NN=N[N-]1)N1CCN(CC2=CC=CC=C2Cl)CC1	REAL000000008605	0	41	-1.0	-39.28	344.84	4.65	-34.63
O=C(CCC1=N[N-]N=N1)N1CCN(CC2=CC=CC=C2Cl)CC1	REAL000000008605	1	41	-1.0	-39.28	344.78	4.65	-34.63
O=C(CCC1=NNN=N1)N1CCN(CC2=CC=CC=C2Cl)CC1	REAL000000008605	1	42	0.0	-9.99	348.22	4.66	-5.33
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCN(CC2=CC=CC=C2Cl)CC1	REAL000000008606	0	48	0.0	-15.81	391.36	7.63	-8.18
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCN(CC2=CC=CC=C2Cl)CC1	REAL000000008607	0	45	0.0	-9.54	377.15	5.63	-3.90
CC1=CC=C(C(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000008608	0	43	0.0	-16.23	358.05	4.71	-11.52
CC1=CC=C(C(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000008609	0	40	0.0	-10.23	344.00	1.55	-8.68
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(C2=CC=C(Cl)C=C2)C=C1F	REAL000000008610	0	42	-1.0	-48.37	375.62	7.44	-40.93
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(C2=CC=C(Cl)C=C2)C=C1F	REAL000000008610	1	42	-1.0	-48.36	375.57	7.43	-40.93
O=C(CCCC1=NNN=N1)NCC1=CC=C(C2=CC=C(Cl)C=C2)C=C1F	REAL000000008610	1	43	0.0	-15.15	379.00	7.45	-7.70
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(C2=CC=C(Cl)C=C2)C=C1F	REAL000000008611	0	39	-1.0	-41.44	354.23	6.66	-34.78
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(C2=CC=C(Cl)C=C2)C=C1F	REAL000000008611	1	39	-1.0	-41.44	354.17	6.65	-34.78
O=C(CCC1=NNN=N1)NCC1=CC=C(C2=CC=C(Cl)C=C2)C=C1F	REAL000000008611	1	40	0.0	-11.38	357.61	6.67	-4.71
O=C(CCCC1=NN=N[N-]1)NC(C1=CC=CC=C1)C1=CC=CC(F)=C1	REAL000000008612	0	42	-1.0	-47.68	360.50	7.60	-40.08
O=C(CCCC1=N[N-]N=N1)NC(C1=CC=CC=C1)C1=CC=CC(F)=C1	REAL000000008612	1	42	-1.0	-47.67	360.44	7.60	-40.07
O=C(CCCC1=NNN=N1)NC(C1=CC=CC=C1)C1=CC=CC(F)=C1	REAL000000008612	1	43	0.0	-14.47	363.86	7.60	-6.87
O=C(CCC1=NN=N[N-]1)NC(C1=CC=CC=C1)C1=CC=CC(F)=C1	REAL000000008613	0	39	-1.0	-41.12	338.98	6.81	-34.31
O=C(CCC1=N[N-]N=N1)NC(C1=CC=CC=C1)C1=CC=CC(F)=C1	REAL000000008613	1	39	-1.0	-41.12	338.93	6.81	-34.30
O=C(CCC1=NNN=N1)NC(C1=CC=CC=C1)C1=CC=CC(F)=C1	REAL000000008613	1	40	0.0	-11.01	342.35	6.82	-4.19
O=C(NC(C1=CC=CC=C1)C1=CC=CC(F)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008614	0	46	0.0	-16.12	389.40	10.42	-5.70
O=C(NC(C1=CC=CC=C1)C1=CC=CC(F)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008615	0	43	0.0	-10.34	374.48	7.39	-2.94
O=C(CCCC1=NN=N[N-]1)NC1=CC=CN(CC2=CC=CC=C2)C1=O	REAL000000008616	0	42	-1.0	-66.22	360.25	6.89	-59.33
O=C(CCC1=N[N-]N=N1)NC1=CC=CN(CC2=CC=CC=C2)C1=O	REAL000000008617	0	39	-1.0	-58.21	338.69	6.10	-52.11
O=C(CCC1=NNN=N1)NC1=CC=CN(CC2=CC=CC=C2)C1=O	REAL000000008617	1	40	0.0	-21.86	342.08	6.14	-15.72
O=C(NC1=CC=CN(CC2=CC=CC=C2)C1=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL000000008618	0	45	-1.0	-74.13	384.23	10.16	-63.97
O=C(NC1=CC=CN(CC2=CC=CC=C2)C1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL000000008619	0	42	-1.0	-51.94	370.41	6.97	-44.98
O=C(CCCC1=NN=N[N-]1)NC1CCN(C2=C(F)C=CC=C2F)C1=O	REAL000000008620	0	40	-1.0	-62.85	355.26	4.46	-58.39
O=C(CCCC1=N[N-]N=N1)NC1CCN(C2=C(F)C=CC=C2F)C1=O	REAL000000008620	1	40	-1.0	-62.83	355.21	4.45	-58.38
O=C(CCCC1=NNN=N1)NC1CCN(C2=C(F)C=CC=C2F)C1=O	REAL000000008620	1	41	0.0	-27.50	358.64	4.47	-23.04
O=C(CCC1=NN=N[N-]1)NC1CCN(C2=C(F)C=CC=C2F)C1=O	REAL000000008621	0	37	-1.0	-53.74	333.73	3.68	-50.06
O=C(CCC1=N[N-]N=N1)NC1CCN(C2=C(F)C=CC=C2F)C1=O	REAL000000008621	1	37	-1.0	-53.74	333.67	3.68	-50.06
O=C(CCC1=NNN=N1)NC1CCN(C2=C(F)C=CC=C2F)C1=O	REAL000000008621	1	38	0.0	-22.42	337.12	3.68	-18.74
O=C(NC1CCN(C2=C(F)C=CC=C2F)C1=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008622	0	44	0.0	-29.65	383.79	7.32	-22.33
O=C(NC1CCN(C2=C(F)C=CC=C2F)C1=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008623	0	41	0.0	-21.42	369.21	4.24	-17.18
CC(C)[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL000000008624	0	46	-1.0	-44.94	361.62	5.08	-39.86
CC(C)[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL000000008624	1	46	-1.0	-44.92	361.55	5.08	-39.84
CC(C)[C@@H](NC(=O)CCCC1=NNN=N1)C(=O)OC(C)(C)C	REAL000000008624	1	47	0.0	-11.85	364.99	5.10	-6.76
CC(C)[C@@H](NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(=O)OC(C)(C)C	REAL000000008625	0	50	0.0	-12.89	390.14	7.94	-4.94
CC(C)[C@@H](NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(=O)OC(C)(C)C	REAL000000008626	0	47	0.0	-8.13	370.57	4.48	-3.65
CC[C@@H](NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(=O)OC(C)(C)C	REAL000000008627	0	47	0.0	-12.53	370.34	6.94	-5.59
CC[C@@H](NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(=O)OC(C)(C)C	REAL000000008628	0	44	0.0	-8.37	355.79	3.87	-4.50
COC1=CC(OC)=C(NC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL000000008629	0	37	-1.0	-51.93	317.58	2.17	-49.76
COC1=CC(OC)=C(NC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL000000008629	1	37	-1.0	-51.92	317.52	2.17	-49.75
COC1=CC(OC)=C(NC(=O)CCCC2=NNN=N2)C=C1F	REAL000000008629	1	38	0.0	-18.07	320.95	2.18	-15.89
COC1=CC(OC)=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1F	REAL000000008630	0	41	0.0	-19.29	344.66	5.05	-14.25
COC1=CC(OC)=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1F	REAL000000008631	0	38	0.0	-12.72	330.73	1.97	-10.75
CC(C)CCN1C=CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000008632	0	45	0.0	-16.75	365.68	7.89	-8.86
CC(C)CCN1C=CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000008633	0	42	0.0	-11.66	351.14	4.82	-6.84
CC(C)(C)C1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL000000008634	0	50	-1.0	-46.59	363.00	5.67	-40.91
CC(C)(C)C1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL000000008634	1	50	-1.0	-46.58	362.94	5.67	-40.90
CC(C)(C)C1CCC(CNC(=O)CCCC2=NNN=N2)CC1	REAL000000008634	1	51	0.0	-12.83	373.41	5.94	-6.88
CC(C)(C)C1CCC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008635	0	54	0.0	-14.76	391.52	8.53	-6.24
CC(C)(C)C1CCC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008636	0	51	0.0	-7.82	376.99	5.46	-2.36
COC(=O)C1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008637	0	42	0.0	-20.67	338.32	6.75	-13.92
COC(=O)C1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008638	0	39	0.0	-12.84	322.60	4.51	-8.34
CCOC(=O)C(C)(C)N1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL000000008639	0	44	-1.0	-54.65	370.71	4.17	-50.48
CCOC(=O)C(C)(C)N1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL000000008639	1	44	-1.0	-54.63	370.65	4.16	-50.47
CCOC(=O)C(C)(C)N1C=C(NC(=O)CCCC2=NNN=N2)C=N1	REAL000000008639	1	45	0.0	-17.67	373.16	4.04	-13.63
CCOC(=O)C(C)(C)N1C=C(NC(=O)CCC2=NN=N[N-]2)C=N1	REAL000000008640	0	41	-1.0	-43.54	348.29	3.25	-40.30
CCOC(=O)C(C)(C)N1C=C(NC(=O)CCC2=N[N-]N=N2)C=N1	REAL000000008640	1	41	-1.0	-43.54	348.23	3.24	-40.30
CCOC(=O)C(C)(C)N1C=C(NC(=O)CCC2=NNN=N2)C=N1	REAL000000008640	1	42	0.0	-16.31	352.59	3.40	-12.91
CCOC(=O)C(C)(C)N1C=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=N1	REAL000000008641	0	48	0.0	-18.94	398.30	6.88	-12.05
CCOC(=O)C(C)(C)N1C=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=N1	REAL000000008642	0	45	0.0	-12.47	383.78	3.82	-8.65
CN(C)C1=NC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2O1	REAL000000008643	0	39	-1.0	-58.17	333.28	1.93	-56.24
CN(C)C1=NC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2O1	REAL000000008643	1	39	-1.0	-58.16	333.22	1.92	-56.23
CN(C)C1=NC2=CC(NC(=O)CCCC3=NNN=N3)=CC=C2O1	REAL000000008643	1	40	0.0	-23.83	336.70	1.84	-21.99
CN(C)C1=NC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C2O1	REAL000000008644	0	36	-1.0	-42.79	311.08	1.25	-41.55
CN(C)C1=NC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C2O1	REAL000000008644	1	36	-1.0	-42.79	311.02	1.24	-41.55
CN(C)C1=NC2=CC(NC(=O)CCC3=NNN=N3)=CC=C2O1	REAL000000008644	1	37	0.0	-14.74	315.21	1.06	-13.68
CN(C)C1=NC2=CC(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=CC=C2O1	REAL000000008645	0	43	0.0	-24.89	362.00	4.75	-20.13
CN(C)C1=NC2=CC(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=CC=C2O1	REAL000000008646	0	40	0.0	-16.84	347.32	1.63	-15.21
COC1=CC=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(C)=C1	REAL000000008647	0	43	0.0	-15.24	354.68	6.40	-8.84
COC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(C)=C1	REAL000000008648	0	40	0.0	-9.57	339.74	3.38	-6.19
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1=CC=CC=C1Br	REAL000000008649	0	39	-1.0	-48.68	337.33	7.50	-41.18
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1=CC=CC=C1Br	REAL000000008649	1	39	-1.0	-48.65	337.27	7.49	-41.16
O=C(CCCC1=NNN=N1)N1CCCC1C1=CC=CC=C1Br	REAL000000008649	1	40	0.0	-15.37	339.80	7.44	-7.92
O=C(CCC1=NN=N[N-]1)N1CCCC1C1=CC=CC=C1Br	REAL000000008650	0	36	-1.0	-40.72	315.85	6.71	-34.01
O=C(CCC1=N[N-]N=N1)N1CCCC1C1=CC=CC=C1Br	REAL000000008650	1	36	-1.0	-40.73	315.79	6.71	-34.02
O=C(CCC1=NNN=N1)N1CCCC1C1=CC=CC=C1Br	REAL000000008650	1	37	0.0	-11.19	319.21	6.72	-4.47
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCCC1C1=CC=CC=C1Br	REAL000000008651	0	40	0.0	-10.42	347.67	7.72	-2.70
CC1=CC=CC(C)=C1CCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008652	0	45	0.0	-16.98	362.25	8.12	-8.86
CC1=CC=CC(C)=C1CCNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008653	0	42	0.0	-9.80	347.69	5.06	-4.74
COC(=O)C(C1=CC=CC(Cl)=C1)N1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL000000008654	0	47	-1.0	-40.97	395.05	5.62	-35.35
COC(=O)C(C1=CC=CC(Cl)=C1)N1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL000000008654	1	47	-1.0	-40.97	394.99	5.62	-35.35
COC(=O)C(C1=CC=CC(Cl)=C1)N1CCN(C(=O)CCC2=NNN=N2)CC1	REAL000000008654	1	48	0.0	-12.61	398.32	5.63	-6.98
COC1=CC(OC)=C(OC)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000008655	0	41	-1.0	-50.53	340.58	2.02	-48.51
COC1=CC(OC)=C(OC)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000008655	1	41	-1.0	-50.51	340.52	2.02	-48.49
COC1=CC(OC)=C(OC)C=C1NC(=O)CCCC1=NNN=N1	REAL000000008655	1	42	0.0	-17.41	343.95	2.03	-15.39
COC1=CC(OC)=C(OC)C=C1NC(=O)CCC1=NN=N[N-]1	REAL000000008656	0	38	-1.0	-42.89	318.26	1.23	-41.66
COC1=CC(OC)=C(OC)C=C1NC(=O)CCC1=N[N-]N=N1	REAL000000008656	1	38	-1.0	-42.89	318.20	1.24	-41.65
COC1=CC(OC)=C(OC)C=C1NC(=O)CCC1=NNN=N1	REAL000000008656	1	39	0.0	-13.58	322.46	1.25	-12.33
COC1=CC(OC)=C(OC)C=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008657	0	45	0.0	-18.69	370.45	4.79	-13.91
COC1=CC(OC)=C(OC)C=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008658	0	42	0.0	-12.74	353.73	1.81	-10.93
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCOC2(CCCC2)C1	REAL000000008659	0	44	0.0	-14.73	336.80	6.30	-8.43
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCOC2(CCCC2)C1	REAL000000008660	0	41	0.0	-9.24	320.36	4.26	-4.98
O=C(NC1CCCC2=CNN=C21)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008661	0	40	0.0	-21.47	328.14	4.54	-16.93
O=C(NC1CCCC2=C1NN=C2)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008661	1	40	0.0	-17.20	326.11	4.55	-12.65
O=C(NC1CCCC2=CNN=C21)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008662	0	37	0.0	-14.06	313.63	1.48	-12.59
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(OCC(F)(F)F)=C1	REAL000000008663	0	42	-1.0	-50.87	370.41	4.87	-46.00
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(OCC(F)(F)F)=C1	REAL000000008663	1	42	-1.0	-50.86	370.35	4.86	-46.00
CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(OCC(F)(F)F)=C1	REAL000000008663	1	43	0.0	-16.06	373.78	4.88	-11.18
CC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C(OCC(F)(F)F)=C1	REAL000000008664	0	39	-1.0	-43.77	348.91	4.09	-39.68
CC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C(OCC(F)(F)F)=C1	REAL000000008664	1	39	-1.0	-43.77	348.85	4.08	-39.69
CC1=CC=C(CNC(=O)CCC2=NNN=N2)C(OCC(F)(F)F)=C1	REAL000000008664	1	40	0.0	-12.46	352.28	4.10	-8.36
CC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(OCC(F)(F)F)=C1	REAL000000008665	0	43	0.0	-12.11	384.39	4.66	-7.44
C[C@@H](NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(=O)OC(C)(C)C	REAL000000008666	0	44	0.0	-13.27	356.71	6.32	-6.95
C[C@@H](NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(=O)OC(C)(C)C	REAL000000008667	0	41	0.0	-8.81	342.15	3.26	-5.55
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL000000008668	0	46	-1.0	-48.95	367.83	2.69	-46.26
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL000000008668	1	46	-1.0	-48.95	367.77	2.69	-46.25
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)CCCC2=NNN=N2)C1	REAL000000008668	1	47	0.0	-16.36	371.21	2.70	-13.66
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL000000008669	0	43	-1.0	-41.22	346.34	1.92	-39.31
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL000000008669	1	43	-1.0	-41.22	346.28	1.91	-39.31
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)CCC2=NNN=N2)C1	REAL000000008669	1	44	0.0	-12.13	349.73	1.92	-10.20
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000008670	0	50	0.0	-23.60	391.90	5.06	-18.54
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000008671	0	47	0.0	-14.05	378.76	2.96	-11.09
CC1=CC=CC(C)=C1OCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL000000008672	0	52	-1.0	-47.45	427.22	8.82	-38.63
CC1=CC=CC(C)=C1OCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL000000008672	1	52	-1.0	-47.44	427.16	8.81	-38.63
CC1=CC=CC(C)=C1OCC(NC(=O)CCCC1=NNN=N1)C1=CC=CC=C1	REAL000000008672	1	53	0.0	-14.23	430.60	8.83	-5.40
CC1=CC=CC(C)=C1OCC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL000000008673	0	49	-1.0	-40.57	405.78	8.03	-32.54
CC1=CC=CC(C)=C1OCC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL000000008673	1	49	-1.0	-40.56	405.72	8.03	-32.52
CC1=CC=CC(C)=C1OCC(NC(=O)CCC1=NNN=N1)C1=CC=CC=C1	REAL000000008673	1	50	0.0	-10.39	409.15	8.04	-2.35
COC1=CC=C2CC(C3CCCCC3)N(C(=O)CCCC3=NN=N[N-]3)CC2=C1	REAL000000008674	0	56	-1.0	-46.58	414.83	8.56	-38.02
COC1=CC=C2CC(C3CCCCC3)N(C(=O)CCCC3=N[N-]N=N3)CC2=C1	REAL000000008674	1	56	-1.0	-46.57	414.77	8.55	-38.02
COC1=CC=C2CC(C3CCCCC3)N(C(=O)CCCC3=NNN=N3)CC2=C1	REAL000000008674	1	57	0.0	-12.28	418.20	8.57	-3.71
COC1=CC=C2CC(C3CCCCC3)N(C(=O)CCC3=NN=N[N-]3)CC2=C1	REAL000000008675	0	53	-1.0	-40.74	393.33	7.77	-32.98
COC1=CC=C2CC(C3CCCCC3)N(C(=O)CCC3=N[N-]N=N3)CC2=C1	REAL000000008675	1	53	-1.0	-40.74	393.27	7.77	-32.98
COC1=CC=C2CC(C3CCCCC3)N(C(=O)CCC3=NNN=N3)CC2=C1	REAL000000008675	1	54	0.0	-8.73	396.57	7.86	-0.86
O=C(CCCC1=NN=N[N-]1)NC1CCN(C2=NC=CC=C2F)C1	REAL000000008676	0	40	-1.0	-49.04	334.20	2.86	-46.18
O=C(CCCC1=N[N-]N=N1)NC1CCN(C2=NC=CC=C2F)C1	REAL000000008676	1	40	-1.0	-49.02	334.14	2.86	-46.16
O=C(CCCC1=NNN=N1)NC1CCN(C2=NC=CC=C2F)C1	REAL000000008676	1	41	0.0	-16.45	337.27	2.89	-13.56
O=C(CCC1=NN=N[N-]1)NC1CCN(C2=NC=CC=C2F)C1	REAL000000008677	0	37	-1.0	-42.06	312.68	2.08	-39.97
O=C(CCC1=N[N-]N=N1)NC1CCN(C2=NC=CC=C2F)C1	REAL000000008677	1	37	-1.0	-42.05	312.62	2.07	-39.98
O=C(CCC1=NNN=N1)NC1CCN(C2=NC=CC=C2F)C1	REAL000000008677	1	38	0.0	-12.52	315.72	2.11	-10.41
O=C(NC1CCN(C2=NC=CC=C2F)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008678	0	44	0.0	-16.88	362.71	5.73	-11.16
O=C(NC1CCN(C2=NC=CC=C2F)C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008679	0	41	0.0	-11.32	347.90	2.68	-8.65
O=C(CCCC1=NN=N[N-]1)N1CCCC(NC(=O)C2=CC3=CC=CC=C3O2)C1	REAL000000008682	0	49	-1.0	-54.03	403.73	5.47	-48.56
O=C(CCCC1=N[N-]N=N1)N1CCCC(NC(=O)C2=CC3=CC=CC=C3O2)C1	REAL000000008682	1	49	-1.0	-54.02	403.67	5.47	-48.54
O=C(CCCC1=NNN=N1)N1CCCC(NC(=O)C2=CC3=CC=CC=C3O2)C1	REAL000000008682	1	50	0.0	-20.60	407.15	5.50	-15.10
O=C(CCC1=NN=N[N-]1)N1CCCC(NC(=O)C2=CC3=CC=CC=C3O2)C1	REAL000000008683	0	46	-1.0	-49.29	382.24	4.70	-44.60
O=C(CCC1=N[N-]N=N1)N1CCCC(NC(=O)C2=CC3=CC=CC=C3O2)C1	REAL000000008683	1	46	-1.0	-49.30	382.18	4.69	-44.61
O=C(CCC1=NNN=N1)N1CCCC(NC(=O)C2=CC3=CC=CC=C3O2)C1	REAL000000008683	1	47	0.0	-18.48	385.65	4.71	-13.77
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C1=CN(C2=CC=CC=C2)N=N1	REAL000000008684	0	44	-1.0	-49.90	363.78	4.63	-45.27
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C1=CN(C2=CC=CC=C2)N=N1	REAL000000008684	1	44	-1.0	-49.89	363.72	4.63	-45.26
CC(C)(NC(=O)CCCC1=NNN=N1)C1=CN(C2=CC=CC=C2)N=N1	REAL000000008684	1	45	0.0	-15.78	367.15	4.64	-11.14
CC(C)(NC(=O)CCC1=NN=N[N-]1)C1=CN(C2=CC=CC=C2)N=N1	REAL000000008685	0	41	-1.0	-46.00	342.28	3.85	-42.16
CC(C)(NC(=O)CCC1=N[N-]N=N1)C1=CN(C2=CC=CC=C2)N=N1	REAL000000008685	1	41	-1.0	-46.00	342.22	3.85	-42.15
CC(C)(NC(=O)CCC1=NNN=N1)C1=CN(C2=CC=CC=C2)N=N1	REAL000000008685	1	42	0.0	-13.32	345.66	3.86	-9.47
CC(C)(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CN(C2=CC=CC=C2)N=N1	REAL000000008686	0	48	0.0	-17.37	392.30	7.49	-9.88
CC(C)(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CN(C2=CC=CC=C2)N=N1	REAL000000008687	0	45	0.0	-14.33	377.74	4.42	-9.91
CN1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(C)(C)C1=O	REAL000000008688	0	43	0.0	-19.88	333.79	5.37	-14.51
CN1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C(C)(C)C1=O	REAL000000008689	0	40	0.0	-12.80	317.31	3.12	-9.68
CCCCCCCCCCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008690	0	53	0.0	-15.02	419.75	9.59	-5.43
CCCCCCCCCCNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008691	0	50	0.0	-8.09	405.19	6.53	-1.56
O=C(CCCC1=NN=N[N-]1)NCCS(=O)(=O)CC1CC1	REAL000000008692	0	38	-1.0	-60.82	335.92	0.48	-60.34
O=C(CCCC1=N[N-]N=N1)NCCS(=O)(=O)CC1CC1	REAL000000008692	1	38	-1.0	-60.81	335.87	0.48	-60.33
O=C(CCCC1=NNN=N1)NCCS(=O)(=O)CC1CC1	REAL000000008692	1	39	0.0	-27.45	339.30	0.49	-26.97
O=C(NCCS(=O)(=O)CC1CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008693	0	42	0.0	-29.36	364.46	3.35	-26.01
O=C(NCCS(=O)(=O)CC1CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008694	0	39	0.0	-20.79	349.90	0.27	-20.52
CC1=NC(S(=O)(=O)N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=CN1C	REAL000000008695	0	47	-1.0	-59.14	392.85	2.22	-56.92
CC1=NC(S(=O)(=O)N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=CN1C	REAL000000008695	1	47	-1.0	-59.13	392.79	2.23	-56.90
CC1=NC(S(=O)(=O)N2CCN(C(=O)CCCC3=NNN=N3)CC2)=CN1C	REAL000000008695	1	48	0.0	-24.29	396.24	2.23	-22.06
CC1=NC(S(=O)(=O)N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=CN1C	REAL000000008696	0	44	-1.0	-49.48	371.36	1.44	-48.04
CC1=NC(S(=O)(=O)N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=CN1C	REAL000000008696	1	44	-1.0	-49.48	371.30	1.44	-48.03
CC1=NC(S(=O)(=O)N2CCN(C(=O)CCC3=NNN=N3)CC2)=CN1C	REAL000000008696	1	45	0.0	-20.48	374.74	1.46	-19.02
CC(C)C1=CC=C(N(C)C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000008697	0	45	0.0	-16.22	352.40	9.19	-7.02
CC(C)C1=CC=C(N(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000008698	0	42	0.0	-9.36	336.80	7.04	-2.32
CC1=CC=C2OCC(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)C2=C1	REAL000000008699	0	41	0.0	-14.07	342.85	6.21	-7.86
CC1=CC=C2OCC(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)C2=C1	REAL000000008700	0	38	0.0	-8.97	328.29	3.15	-5.82
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(OC2=CC=CC=C2)=C1	REAL000000008701	0	46	-1.0	-49.06	387.31	6.93	-42.13
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(OC2=CC=CC=C2)=C1	REAL000000008701	1	46	-1.0	-49.05	387.25	6.92	-42.13
CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(OC2=CC=CC=C2)=C1	REAL000000008701	1	47	0.0	-14.96	390.69	6.94	-8.02
CC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C(OC2=CC=CC=C2)=C1	REAL000000008702	0	43	-1.0	-42.53	365.81	6.14	-36.39
CC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C(OC2=CC=CC=C2)=C1	REAL000000008702	1	43	-1.0	-42.53	365.76	6.14	-36.39
CC1=CC=C(CNC(=O)CCC2=NNN=N2)C(OC2=CC=CC=C2)=C1	REAL000000008702	1	44	0.0	-11.46	369.19	6.16	-5.30
CC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(OC2=CC=CC=C2)=C1	REAL000000008703	0	47	0.0	-11.28	403.87	6.86	-4.42
CC(C)(C)OC(=O)NC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL000000008704	0	52	-1.0	-52.10	422.72	4.49	-47.61
CC(C)(C)OC(=O)NC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL000000008704	1	52	-1.0	-52.09	422.66	4.49	-47.59
CC(C)(C)OC(=O)NC1=CC=C(CCNC(=O)CCCC2=NNN=N2)C=C1	REAL000000008704	1	53	0.0	-19.07	426.10	4.50	-14.56
CC(C)(C)OC(=O)NC1=CC=C(CCNC(=O)CCC2=NN=N[N-]2)C=C1	REAL000000008705	0	49	-1.0	-44.24	401.22	3.71	-40.52
CC(C)(C)OC(=O)NC1=CC=C(CCNC(=O)CCC2=N[N-]N=N2)C=C1	REAL000000008705	1	49	-1.0	-44.24	401.16	3.72	-40.52
CC(C)(C)OC(=O)NC1=CC=C(CCNC(=O)CCC2=NNN=N2)C=C1	REAL000000008705	1	50	0.0	-14.96	404.60	3.72	-11.24
CC(C)(CO)CCCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008706	0	45	0.0	-16.79	355.34	3.41	-13.38
CC(C)(CO)CCCNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008707	0	42	0.0	-10.12	340.78	0.34	-9.78
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(OCCO)C=C1	REAL000000008708	0	40	-1.0	-49.89	341.87	0.60	-49.29
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(OCCO)C=C1	REAL000000008708	1	40	-1.0	-49.88	341.81	0.60	-49.27
O=C(CCCC1=NNN=N1)NCC1=CC=C(OCCO)C=C1	REAL000000008708	1	41	0.0	-16.96	345.25	0.61	-16.35
O=C(NCC1=CC=C(OCCO)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008709	0	44	0.0	-18.38	370.40	3.47	-14.91
O=C(NCC1=CC=C(OCCO)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008710	0	41	0.0	-12.51	355.85	0.40	-12.11
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2[N-]C(=S)OC2=C1	REAL000000008711	0	31	-2.0	-102.38	293.88	0.67	-101.72
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2[N-]C(=S)OC2=C1	REAL000000008711	1	31	-2.0	-102.37	293.83	0.67	-101.71
O=C(CCCC1=NNN=N1)NC1=CC=C2[N-]C(=S)OC2=C1	REAL000000008711	1	32	-1.0	-59.76	297.28	0.68	-59.09
O=C(NC1=CC=C2[N-]C(=S)OC2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008712	0	35	-1.0	-61.96	322.16	3.54	-58.42
O=C(NC1=CC=C2[N-]C(=S)OC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008713	0	32	-1.0	-46.44	307.86	0.46	-45.98
CC(C)(CCO)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008714	0	42	0.0	-17.57	330.79	2.75	-14.81
O=C(NCC1(CO)CCCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008715	0	43	0.0	-9.76	332.44	1.58	-8.18
O=C(CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)NC1=CC=CC=N1	REAL000000008716	0	39	0.0	-19.63	336.99	4.44	-15.19
O=C(CNC(=O)C1=CC=C(C2=NNN=N2)C=N1)NC1=CC=CC=N1	REAL000000008717	0	36	0.0	-16.50	322.26	1.33	-15.17
CCCC(CCO)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008718	0	45	0.0	-17.66	352.98	3.40	-14.25
CCCC(CCO)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008719	0	42	0.0	-9.81	338.88	0.43	-9.38
O=C(NCC1(CCO)CCCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008720	0	46	0.0	-15.51	356.61	3.83	-11.68
O=C(NCC1(CCO)CCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008721	0	43	0.0	-9.31	341.88	0.80	-8.51
CCC(CC)(CCO)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008722	0	48	0.0	-17.47	359.24	3.72	-13.75
CCC(CC)(CCO)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008723	0	45	0.0	-10.14	344.68	0.64	-9.50
CC(CC(=O)C1=CC=C(F)C=C1)NC(=O)CCCC1=NN=N[N-]1	REAL000000008724	0	40	-1.0	-56.02	346.61	5.30	-50.73
CC(CC(=O)C1=CC=C(F)C=C1)NC(=O)CCCC1=N[N-]N=N1	REAL000000008724	1	40	-1.0	-56.01	346.56	5.29	-50.73
CC(CC(=O)C1=CC=C(F)C=C1)NC(=O)CCCC1=NNN=N1	REAL000000008724	1	41	0.0	-20.69	349.99	5.31	-15.39
CC(CC(=O)C1=CC=C(F)C=C1)NC(=O)CCC1=NN=N[N-]1	REAL000000008725	0	37	-1.0	-48.99	325.11	4.51	-44.48
CC(CC(=O)C1=CC=C(F)C=C1)NC(=O)CCC1=N[N-]N=N1	REAL000000008725	1	37	-1.0	-48.98	325.05	4.51	-44.48
CC(CC(=O)C1=CC=C(F)C=C1)NC(=O)CCC1=NNN=N1	REAL000000008725	1	38	0.0	-16.86	328.49	4.51	-12.35
CC(CC(=O)C1=CC=C(F)C=C1)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008726	0	44	0.0	-23.89	375.14	8.15	-15.74
CC(CC(=O)C1=CC=C(F)C=C1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008727	0	41	0.0	-16.52	360.59	5.09	-11.42
O=C(CC1COCCN1C(=O)CCCC1=NN=N[N-]1)C1=CC=CO1	REAL000000008728	0	42	-1.0	-48.22	342.59	3.51	-44.71
O=C(CC1COCCN1C(=O)CCCC1=N[N-]N=N1)C1=CC=CO1	REAL000000008728	1	42	-1.0	-48.20	342.53	3.51	-44.69
O=C(CC1COCCN1C(=O)CCCC1=NNN=N1)C1=CC=CO1	REAL000000008728	1	43	0.0	-16.66	345.96	3.52	-13.15
O=C(CC1COCCN1C(=O)CCC1=NN=N[N-]1)C1=CC=CO1	REAL000000008729	0	39	-1.0	-44.99	320.69	3.73	-41.26
O=C(CC1COCCN1C(=O)CCC1=N[N-]N=N1)C1=CC=CO1	REAL000000008729	1	39	-1.0	-44.99	320.64	3.73	-41.26
O=C(CC1COCCN1C(=O)CCC1=NNN=N1)C1=CC=CO1	REAL000000008729	1	40	0.0	-12.75	324.47	2.74	-10.02
O=C(CC1COCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CO1	REAL000000008730	0	46	0.0	-19.15	367.84	7.08	-12.06
O=C(CC1COCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CO1	REAL000000008731	0	43	0.0	-14.33	352.64	4.81	-9.52
CN1C=CN=C1N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL000000008732	0	41	-1.0	-52.23	334.51	4.53	-47.70
CN1C=CN=C1N1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008733	0	45	0.0	-21.87	355.64	7.45	-14.42
CN1C=C[NH+]=C1N1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008733	1	46	1.0	-43.39	355.60	7.81	-35.58
CN1C=CN=C1N1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008734	0	42	0.0	-14.63	338.62	5.17	-9.46
CN1C=C[NH+]=C1N1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008734	1	43	1.0	-36.32	340.83	5.54	-30.77
O=C(NC1=C2C=NC=CC2=CC=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008735	0	38	0.0	-16.48	319.83	6.83	-9.65
O=C(NC1=C2C=NC=CC2=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008736	0	35	0.0	-10.70	304.64	3.75	-6.95
CC(C(=O)N1CCCC1)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL000000008737	0	51	-1.0	-50.90	391.85	3.33	-47.57
CC(C(=O)N1CCCC1)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL000000008737	1	51	-1.0	-50.89	391.79	3.33	-47.56
CC(C(=O)N1CCCC1)N1CCN(C(=O)CCCC2=NNN=N2)CC1	REAL000000008737	1	52	0.0	-17.58	394.46	3.32	-14.25
CC(C(=O)N1CCCC1)N1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL000000008738	0	48	-1.0	-44.51	369.59	2.54	-41.97
CC(C(=O)N1CCCC1)N1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL000000008738	1	48	-1.0	-44.50	369.53	2.53	-41.97
CC(C(=O)N1CCCC1)N1CCN(C(=O)CCC2=NNN=N2)CC1	REAL000000008738	1	49	0.0	-13.71	372.97	2.55	-11.16
CC(C(=O)N1CCCC1)N1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008739	0	55	0.0	-18.81	415.60	5.71	-13.10
CC(C(=O)N1CCCC1)N1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008740	0	52	0.0	-13.83	393.69	3.24	-10.59
CCC1=NOC(CC)=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008741	0	44	0.0	-14.96	368.31	6.61	-8.35
CCC1=NOC(CC)=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008742	0	41	0.0	-9.74	353.36	3.58	-6.16
CC(C)CC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCCC1	REAL000000008743	0	51	0.0	-14.17	379.60	8.46	-5.71
CC(C)CC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCCC1	REAL000000008744	0	48	0.0	-7.69	364.09	5.42	-2.27
CC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCCO1	REAL000000008745	0	40	0.0	-14.93	322.05	4.41	-10.52
O=C(CCCC1=NN=N[N-]1)NC(CC1=CC=CC=C1)C(F)(F)F	REAL000000008746	0	38	-1.0	-48.28	333.99	5.58	-42.70
O=C(CCCC1=N[N-]N=N1)NC(CC1=CC=CC=C1)C(F)(F)F	REAL000000008746	1	38	-1.0	-48.27	333.93	5.58	-42.69
O=C(CCCC1=NNN=N1)NC(CC1=CC=CC=C1)C(F)(F)F	REAL000000008746	1	39	0.0	-15.47	337.36	5.59	-9.88
O=C(CCC1=NN=N[N-]1)NC(CC1=CC=CC=C1)C(F)(F)F	REAL000000008747	0	35	-1.0	-40.19	312.48	4.80	-35.39
O=C(CCC1=N[N-]N=N1)NC(CC1=CC=CC=C1)C(F)(F)F	REAL000000008747	1	35	-1.0	-40.19	312.42	4.80	-35.39
O=C(CCC1=NNN=N1)NC(CC1=CC=CC=C1)C(F)(F)F	REAL000000008747	1	36	0.0	-11.36	315.81	4.81	-6.54
O=C(NC(CC1=CC=CC=C1)C(F)(F)F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008748	0	42	0.0	-17.04	362.51	8.45	-8.59
O=C(NC(CC1=CC=CC=C1)C(F)(F)F)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008749	0	39	0.0	-9.95	347.95	5.38	-4.57
CN1C=CN=C1CC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL000000008750	0	45	-1.0	-49.24	357.05	6.23	-43.00
CN1C=CN=C1CC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL000000008750	1	45	-1.0	-49.22	357.00	6.23	-42.99
CN1C=CN=C1CC1CCCN(C(=O)CCCC2=NNN=N2)C1	REAL000000008750	1	46	0.0	-16.91	360.43	6.24	-10.67
CN1C=CN=C1CC1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL000000008751	0	42	-1.0	-46.80	328.70	5.13	-41.68
CN1C=CN=C1CC1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL000000008751	1	42	-1.0	-46.81	328.64	5.12	-41.69
CN1C=CN=C1CC1CCCN(C(=O)CCC2=NNN=N2)C1	REAL000000008751	1	43	0.0	-17.25	339.39	5.42	-11.83
CN1C=CN=C1CC1CCCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000008752	0	49	0.0	-25.34	383.46	8.58	-16.76
CN1C=CN=C1CC1CCCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000008753	0	46	0.0	-16.61	368.62	6.42	-10.19
O=C(CCCC1=NN=N[N-]1)NCC1=CN(CC(F)(F)F)N=C1	REAL000000008754	0	35	-1.0	-51.16	321.36	2.63	-48.53
O=C(CCCC1=N[N-]N=N1)NCC1=CN(CC(F)(F)F)N=C1	REAL000000008754	1	35	-1.0	-51.15	321.31	2.63	-48.52
O=C(CCCC1=NNN=N1)NCC1=CN(CC(F)(F)F)N=C1	REAL000000008754	1	36	0.0	-18.27	324.74	2.64	-15.63
O=C(CCC1=NN=N[N-]1)NCC1=CN(CC(F)(F)F)N=C1	REAL000000008755	0	32	-1.0	-44.68	299.87	1.85	-42.84
O=C(CCC1=N[N-]N=N1)NCC1=CN(CC(F)(F)F)N=C1	REAL000000008755	1	32	-1.0	-44.68	299.81	1.85	-42.83
O=C(CCC1=NNN=N1)NCC1=CN(CC(F)(F)F)N=C1	REAL000000008755	1	33	0.0	-15.04	303.24	1.85	-13.18
O=C(NCC1=CN(CC(F)(F)F)N=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008756	0	39	0.0	-20.30	349.89	5.49	-14.81
O=C(NCC1=CN(CC(F)(F)F)N=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008757	0	36	0.0	-14.46	335.34	2.43	-12.04
CN1C=NC(CCNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000008758	0	38	0.0	-23.04	326.78	5.39	-17.65
CCOCCOC1=CC(C)=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL000000008759	0	49	-1.0	-50.78	406.32	4.66	-46.12
CCOCCOC1=CC(C)=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL000000008759	1	49	-1.0	-50.77	406.26	4.65	-46.12
CCOCCOC1=CC(C)=CC=C1CNC(=O)CCCC1=NNN=N1	REAL000000008759	1	50	0.0	-16.56	409.70	4.67	-11.89
CCOCCOC1=CC(C)=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL000000008760	0	46	-1.0	-43.31	384.82	3.88	-39.43
CCOCCOC1=CC(C)=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL000000008760	1	46	-1.0	-43.31	384.77	3.87	-39.44
CCOCCOC1=CC(C)=CC=C1CNC(=O)CCC1=NNN=N1	REAL000000008760	1	47	0.0	-12.53	388.20	3.89	-8.64
CCOCCOC1=CC(C)=CC=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008761	0	53	0.0	-18.72	434.82	7.52	-11.21
CCOCCOC1=CC(C)=CC=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008762	0	50	0.0	-12.22	420.30	4.45	-7.77
O=C(CCCC1=NN=N[N-]1)N1CCOCC1CC(O)C1=CC=CO1	REAL000000008763	0	44	-1.0	-48.94	352.89	1.19	-47.76
O=C(CCCC1=N[N-]N=N1)N1CCOCC1CC(O)C1=CC=CO1	REAL000000008763	1	44	-1.0	-48.94	352.84	1.19	-47.74
O=C(CCCC1=NNN=N1)N1CCOCC1CC(O)C1=CC=CO1	REAL000000008763	1	45	0.0	-16.14	356.27	1.20	-14.95
O=C(CCC1=NN=N[N-]1)N1CCOCC1CC(O)C1=CC=CO1	REAL000000008764	0	41	-1.0	-41.26	331.40	0.41	-40.85
O=C(CCC1=N[N-]N=N1)N1CCOCC1CC(O)C1=CC=CO1	REAL000000008764	1	41	-1.0	-41.25	331.34	0.40	-40.85
O=C(CCC1=NNN=N1)N1CCOCC1CC(O)C1=CC=CO1	REAL000000008764	1	42	0.0	-11.72	333.12	0.80	-10.92
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCOCC1CC(O)C1=CC=CO1	REAL000000008765	0	48	0.0	-17.08	377.75	3.97	-13.10
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCOCC1CC(O)C1=CC=CO1	REAL000000008766	0	45	0.0	-11.51	363.75	1.56	-9.95
O=C(NC1=CC=NN1CC1CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008767	0	40	0.0	-18.25	335.90	7.30	-10.95
O=C(NC1=CC=NN1CC1CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008768	0	37	0.0	-10.89	320.94	4.27	-6.62
CCC1=NC2=C(S1)C(N(C)C(=O)CCCC1=NN=N[N-]1)CCC2	REAL000000008769	0	44	-1.0	-48.55	362.05	5.87	-42.68
CCC1=NC2=C(S1)C(N(C)C(=O)CCCC1=N[N-]N=N1)CCC2	REAL000000008769	1	44	-1.0	-48.54	361.99	5.86	-42.68
CCC1=NC2=C(S1)C(N(C)C(=O)CCCC1=NNN=N1)CCC2	REAL000000008769	1	45	0.0	-15.42	365.42	5.88	-9.54
CCC1=NC2=C(S1)C(N(C)C(=O)CCC1=NN=N[N-]1)CCC2	REAL000000008770	0	41	-1.0	-40.85	340.49	5.08	-35.76
CCC1=NC2=C(S1)C(N(C)C(=O)CCC1=N[N-]N=N1)CCC2	REAL000000008770	1	41	-1.0	-40.85	340.43	5.08	-35.76
CCC1=NC2=C(S1)C(N(C)C(=O)CCC1=NNN=N1)CCC2	REAL000000008770	1	42	0.0	-11.18	343.87	5.09	-6.09
CCC1=NC2=C(S1)C(N(C)C(=O)C1=CC=CC(NC3=NNN=N3)=C1)CCC2	REAL000000008771	0	48	0.0	-17.35	390.71	8.27	-9.08
CCC1=NC2=C(S1)C(N(C)C(=O)C1=CC=C(C3=NNN=N3)C=N1)CCC2	REAL000000008772	0	45	0.0	-10.63	373.43	6.23	-4.40
CC(C)C1CCC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008773	0	48	0.0	-15.20	365.91	7.78	-7.42
CC(C)C1CCC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008774	0	45	0.0	-8.06	351.36	4.72	-3.34
CN(C)C1=CC(CN(C)C(=O)CCCC2=NN=N[N-]2)=CC=C1	REAL000000008775	0	43	-1.0	-49.92	347.81	6.00	-43.92
CN(C)C1=CC(CN(C)C(=O)CCCC2=N[N-]N=N2)=CC=C1	REAL000000008775	1	43	-1.0	-49.91	347.76	6.00	-43.90
CN(C)C1=CC(CN(C)C(=O)CCCC2=NNN=N2)=CC=C1	REAL000000008775	1	44	0.0	-15.58	350.52	6.00	-9.58
CN(C)C1=CC(CN(C)C(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CC=C1	REAL000000008776	0	47	0.0	-18.11	376.25	8.50	-9.61
CN(C)C1=CC(CN(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC=C1	REAL000000008777	0	44	0.0	-10.84	359.50	6.38	-4.46
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1OC1CCOC1	REAL000000008778	0	41	-1.0	-48.75	338.37	3.14	-45.62
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1OC1CCOC1	REAL000000008778	1	41	-1.0	-48.75	338.31	3.13	-45.61
O=C(CCCC1=NNN=N1)NC1=CC=CC=C1OC1CCOC1	REAL000000008778	1	42	0.0	-15.04	341.74	3.14	-11.90
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1OC1CCOC1	REAL000000008779	0	38	-1.0	-42.33	316.79	2.38	-39.95
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1OC1CCOC1	REAL000000008779	1	38	-1.0	-42.33	316.74	2.37	-39.96
O=C(CCC1=NNN=N1)NC1=CC=CC=C1OC1CCOC1	REAL000000008779	1	39	0.0	-11.13	318.69	2.38	-8.75
O=C(NC1=CC=CC=C1OC1CCOC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008780	0	45	0.0	-16.12	365.19	5.97	-10.15
O=C(NC1=CC=CC=C1OC1CCOC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008781	0	42	0.0	-11.23	351.55	2.96	-8.28
CS(=O)(=O)CC1=CC(F)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000008782	0	38	-1.0	-56.42	338.77	1.98	-54.44
CS(=O)(=O)CC1=CC(F)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000008782	1	38	-1.0	-56.41	338.71	1.98	-54.43
CS(=O)(=O)CC1=CC(F)=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000008782	1	39	0.0	-24.13	342.15	1.99	-22.14
CS(=O)(=O)CC1=CC(F)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL000000008783	0	35	-1.0	-48.20	317.27	1.20	-47.00
CS(=O)(=O)CC1=CC(F)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL000000008783	1	35	-1.0	-48.19	317.21	1.19	-47.00
CS(=O)(=O)CC1=CC(F)=CC=C1NC(=O)CCC1=NNN=N1	REAL000000008783	1	36	0.0	-20.43	320.65	1.21	-19.22
CS(=O)(=O)CC1=CC(F)=CC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008784	0	42	0.0	-24.95	368.24	4.94	-20.01
CS(=O)(=O)CC1=CC(F)=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008785	0	39	0.0	-18.52	353.22	1.86	-16.66
COC(=O)CCCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL000000008786	0	46	-1.0	-50.61	382.18	5.18	-45.43
COC(=O)CCCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL000000008786	1	46	-1.0	-50.60	382.13	5.17	-45.42
COC(=O)CCCCCCCNC(=O)CCCC1=NNN=N1	REAL000000008786	1	47	0.0	-17.48	385.56	5.19	-12.29
COC(=O)CCCCCCCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008787	0	50	0.0	-19.35	410.72	8.04	-11.31
COC(=O)CCCCCCCNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008788	0	47	0.0	-12.79	396.16	4.97	-7.81
COCCN(CC1=CC=C(C)O1)C(=O)CCCC1=NN=N[N-]1	REAL000000008789	0	42	-1.0	-49.34	348.94	4.92	-44.42
COCCN(CC1=CC=C(C)O1)C(=O)CCCC1=N[N-]N=N1	REAL000000008789	1	42	-1.0	-49.34	348.88	4.92	-44.41
COCCN(CC1=CC=C(C)O1)C(=O)CCCC1=NNN=N1	REAL000000008789	1	43	0.0	-14.22	352.32	4.93	-9.28
COCCN(CC1=CC=C(C)O1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008790	0	46	0.0	-19.38	375.48	7.20	-12.18
COCCN(CC1=CC=C(C)O1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008791	0	43	0.0	-12.68	361.56	5.43	-7.25
COC(=O)CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CC1	REAL000000008792	0	42	0.0	-20.17	347.54	6.66	-13.51
COC(=O)CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CC1	REAL000000008793	0	39	0.0	-13.43	332.99	3.60	-9.83
CCCCC(CCC)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008794	0	50	0.0	-14.75	384.87	8.30	-6.46
CCCCC(CCC)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008795	0	47	0.0	-7.88	370.46	5.31	-2.57
O=C(CCCC1=NN=N[N-]1)NC1=NNC(C2=CC(F)=CC(F)=C2)=C1	REAL000000008796	0	36	-1.0	-47.32	323.14	4.43	-42.89
O=C(CCCC1=N[N-]N=N1)NC1=NNC(C2=CC(F)=CC(F)=C2)=C1	REAL000000008796	1	36	-1.0	-47.31	323.08	4.43	-42.88
O=C(CCCC1=NNN=N1)NC1=NNC(C2=CC(F)=CC(F)=C2)=C1	REAL000000008796	1	37	0.0	-14.81	326.51	4.44	-10.36
O=C(CCC1=NN=N[N-]1)NC1=NNC(C2=CC(F)=CC(F)=C2)=C1	REAL000000008797	0	33	-1.0	-39.68	301.64	3.65	-36.03
O=C(CCC1=N[N-]N=N1)NC1=NNC(C2=CC(F)=CC(F)=C2)=C1	REAL000000008797	1	33	-1.0	-39.68	301.58	3.64	-36.03
O=C(CCC1=NNN=N1)NC1=NNC(C2=CC(F)=CC(F)=C2)=C1	REAL000000008797	1	34	0.0	-11.10	305.01	3.66	-7.44
O=C(NC1=NNC(C2=CC(F)=CC(F)=C2)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008798	0	40	0.0	-15.12	351.64	7.29	-7.83
O=C(NC1=NNC(C2=CC(F)=CC(F)=C2)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008799	0	37	0.0	-9.88	337.09	4.23	-5.66
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2N=C(CC3=CC=CC=C3)OC2=C1	REAL000000008800	0	44	-1.0	-50.96	378.07	4.80	-46.15
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2N=C(CC3=CC=CC=C3)OC2=C1	REAL000000008800	1	44	-1.0	-50.94	378.01	4.80	-46.14
O=C(CCCC1=NNN=N1)NC1=CC=C2N=C(CC3=CC=CC=C3)OC2=C1	REAL000000008800	1	45	0.0	-21.06	381.75	4.80	-16.26
O=C(CCC1=NN=N[N-]1)NC1=CC=C2N=C(CC3=CC=CC=C3)OC2=C1	REAL000000008801	0	41	-1.0	-42.30	356.85	4.01	-38.29
O=C(CCC1=N[N-]N=N1)NC1=CC=C2N=C(CC3=CC=CC=C3)OC2=C1	REAL000000008801	1	41	-1.0	-42.29	356.79	4.00	-38.29
O=C(CCC1=NNN=N1)NC1=CC=C2N=C(CC3=CC=CC=C3)OC2=C1	REAL000000008801	1	42	0.0	-16.69	360.27	4.02	-12.67
O=C(NC1=CC=C2N=C(CC3=CC=CC=C3)OC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008802	0	45	0.0	-12.66	392.34	4.58	-8.08
COCC1=NN2CC(NC(=O)CCCC3=NN=N[N-]3)CCC2=N1	REAL000000008803	0	42	-1.0	-57.13	351.31	1.80	-55.33
COCC1=NN2CC(NC(=O)CCCC3=N[N-]N=N3)CCC2=N1	REAL000000008803	1	42	-1.0	-57.11	351.25	1.80	-55.31
COCC1=NN2CC(NC(=O)CCCC3=NNN=N3)CCC2=N1	REAL000000008803	1	43	0.0	-24.06	354.68	1.81	-22.25
COCC1=NN2CC(NC(=O)CCC3=NN=N[N-]3)CCC2=N1	REAL000000008804	0	39	-1.0	-47.85	329.80	1.02	-46.83
COCC1=NN2CC(NC(=O)CCC3=N[N-]N=N3)CCC2=N1	REAL000000008804	1	39	-1.0	-47.84	329.75	1.02	-46.82
COCC1=NN2CC(NC(=O)CCC3=NNN=N3)CCC2=N1	REAL000000008804	1	40	0.0	-19.48	333.18	1.03	-18.45
COCC1=NN2CC(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)CCC2=N1	REAL000000008805	0	46	0.0	-25.16	379.81	4.67	-20.50
COCC1=NN2CC(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)CCC2=N1	REAL000000008806	0	43	0.0	-16.96	365.27	1.59	-15.36
COC1=CC(C)=CC=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008807	0	43	0.0	-16.21	357.90	6.31	-9.90
COC1=CC(C)=CC=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008808	0	40	0.0	-10.19	342.96	3.28	-6.91
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(OC2=NC=C(Br)C=N2)=C1	REAL000000008809	0	35	-1.0	-46.27	334.58	1.49	-44.79
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(OC2=NC=C(Br)C=N2)=C1	REAL000000008809	1	35	-1.0	-46.27	334.52	1.48	-44.79
O=C(CCC1=NNN=N1)NC1=CC=CC(OC2=NC=C(Br)C=N2)=C1	REAL000000008809	1	36	0.0	-16.64	337.52	1.55	-15.09
CCCN(C(=O)CCCC1=NN=N[N-]1)C1CCN(C(=O)OC(C)(C)C)CC1	REAL000000008810	0	58	-1.0	-53.67	437.00	7.41	-46.27
CCCN(C(=O)CCCC1=N[N-]N=N1)C1CCN(C(=O)OC(C)(C)C)CC1	REAL000000008810	1	58	-1.0	-53.66	436.95	7.41	-46.25
CCCN(C(=O)CCCC1=NNN=N1)C1CCN(C(=O)OC(C)(C)C)CC1	REAL000000008810	1	59	0.0	-18.53	440.41	7.42	-11.11
CCCN(C(=O)CCC1=NN=N[N-]1)C1CCN(C(=O)OC(C)(C)C)CC1	REAL000000008811	0	55	-1.0	-45.97	415.51	6.63	-39.35
CCCN(C(=O)CCC1=N[N-]N=N1)C1CCN(C(=O)OC(C)(C)C)CC1	REAL000000008811	1	55	-1.0	-45.98	415.45	6.62	-39.36
CCCN(C(=O)CCC1=NNN=N1)C1CCN(C(=O)OC(C)(C)C)CC1	REAL000000008811	1	56	0.0	-14.23	418.91	6.64	-7.59
O=C(CCCC1=NN=N[N-]1)N(CC1=CC=CO1)CC1=CC=CC=C1O	REAL000000008812	0	43	-1.0	-49.40	361.76	5.04	-44.36
O=C(CCCC1=N[N-]N=N1)N(CC1=CC=CO1)CC1=CC=CC=C1O	REAL000000008812	1	43	-1.0	-49.40	361.70	5.05	-44.35
O=C(CCCC1=NNN=N1)N(CC1=CC=CO1)CC1=CC=CC=C1O	REAL000000008812	1	44	0.0	-15.24	363.19	6.10	-9.13
O=C(CCC1=NN=N[N-]1)N(CC1=CC=CO1)CC1=CC=CC=C1O	REAL000000008813	0	40	-1.0	-43.57	338.30	5.31	-38.26
O=C(CCC1=N[N-]N=N1)N(CC1=CC=CO1)CC1=CC=CC=C1O	REAL000000008813	1	40	-1.0	-43.57	338.25	5.31	-38.26
O=C(CCC1=NNN=N1)N(CC1=CC=CO1)CC1=CC=CC=C1O	REAL000000008813	1	41	0.0	-11.46	341.77	5.32	-6.14
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N(CC1=CC=CO1)CC1=CC=CC=C1O	REAL000000008814	0	47	0.0	-16.35	382.45	8.47	-7.88
O=C(C1=CC=C(C2=NNN=N2)C=N1)N(CC1=CC=CO1)CC1=CC=CC=C1O	REAL000000008815	0	44	0.0	-11.19	373.97	5.98	-5.21
O=C(CCCC1=NN=N[N-]1)N1CCC(CCC2=CC=C(O)C=C2)CC1	REAL000000008816	0	49	-1.0	-50.53	388.38	5.83	-44.70
O=C(CCCC1=N[N-]N=N1)N1CCC(CCC2=CC=C(O)C=C2)CC1	REAL000000008816	1	49	-1.0	-50.52	388.32	5.83	-44.68
O=C(CCCC1=NNN=N1)N1CCC(CCC2=CC=C(O)C=C2)CC1	REAL000000008816	1	50	0.0	-17.38	391.81	5.83	-11.55
O=C(CCC1=NN=N[N-]1)N1CCC(CCC2=CC=C(O)C=C2)CC1	REAL000000008817	0	46	-1.0	-42.55	366.88	5.04	-37.51
O=C(CCC1=N[N-]N=N1)N1CCC(CCC2=CC=C(O)C=C2)CC1	REAL000000008817	1	46	-1.0	-42.55	366.82	5.04	-37.51
O=C(CCC1=NNN=N1)N1CCC(CCC2=CC=C(O)C=C2)CC1	REAL000000008817	1	47	0.0	-12.91	370.26	5.06	-7.85
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC(CCC2=CC=C(O)C=C2)CC1	REAL000000008818	0	53	0.0	-19.16	416.52	8.37	-10.79
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC(CCC2=CC=C(O)C=C2)CC1	REAL000000008819	0	50	0.0	-12.35	399.79	6.02	-6.33
COC1=CC(CN(C)C(=O)CCCC2=NN=N[N-]2)=CC=C1O	REAL000000008820	0	40	-1.0	-51.45	336.57	2.76	-48.69
COC1=CC(CN(C)C(=O)CCCC2=N[N-]N=N2)=CC=C1O	REAL000000008820	1	40	-1.0	-51.43	336.51	2.76	-48.68
COC1=CC(CN(C)C(=O)CCCC2=NNN=N2)=CC=C1O	REAL000000008820	1	41	0.0	-17.79	339.60	2.75	-15.03
COC1=CC(CN(C)C(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CC=C1O	REAL000000008821	0	44	0.0	-19.84	363.97	5.23	-14.61
COC1=CC(CN(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC=C1O	REAL000000008822	0	41	0.0	-13.10	346.95	3.13	-9.97
CN(CC1=CC=CC(O)=C1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008823	0	40	0.0	-17.42	334.75	5.23	-12.19
CN(CC1=CC=CC(O)=C1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008824	0	37	0.0	-12.74	318.00	3.10	-9.64
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=CC=C(O)C=C2)CC1	REAL000000008825	0	43	-1.0	-49.67	345.32	4.24	-45.42
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=CC=C(O)C=C2)CC1	REAL000000008825	1	43	-1.0	-49.65	345.26	4.25	-45.41
O=C(CCCC1=NNN=N1)N1CCC(C2=CC=C(O)C=C2)CC1	REAL000000008825	1	44	0.0	-16.21	348.63	4.24	-11.96
O=C(CCC1=NN=N[N-]1)N1CCC(C2=CC=C(O)C=C2)CC1	REAL000000008826	0	40	-1.0	-41.69	323.82	3.46	-38.23
O=C(CCC1=N[N-]N=N1)N1CCC(C2=CC=C(O)C=C2)CC1	REAL000000008826	1	40	-1.0	-41.69	323.76	3.45	-38.24
O=C(CCC1=NNN=N1)N1CCC(C2=CC=C(O)C=C2)CC1	REAL000000008826	1	41	0.0	-11.86	327.12	3.46	-8.40
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC(C2=CC=C(O)C=C2)CC1	REAL000000008827	0	47	0.0	-17.71	372.99	6.66	-11.05
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC(C2=CC=C(O)C=C2)CC1	REAL000000008828	0	44	0.0	-11.27	356.38	4.48	-6.79
O=C(CCCC1=NN=N[N-]1)N1CCN(C(=O)C2=CC=C(O)C=C2)CC1	REAL000000008829	0	44	-1.0	-53.63	358.96	2.43	-51.20
O=C(CCCC1=N[N-]N=N1)N1CCN(C(=O)C2=CC=C(O)C=C2)CC1	REAL000000008829	1	44	-1.0	-53.62	358.90	2.43	-51.19
O=C(CCCC1=NNN=N1)N1CCN(C(=O)C2=CC=C(O)C=C2)CC1	REAL000000008829	1	45	0.0	-22.61	362.34	2.45	-20.16
O=C(C1=CC=C(O)C=C1)N1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008831	0	48	0.0	-18.63	387.23	4.88	-13.75
O=C(C1=CC=C(O)C=C1)N1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008832	0	45	0.0	-14.74	367.52	2.54	-12.20
O=C(CCCC1=NN=N[N-]1)N1CCN(C(=O)C2=CC=CC=C2O)CC1	REAL000000008833	0	44	-1.0	-55.38	359.97	2.76	-52.62
O=C(CCCC1=N[N-]N=N1)N1CCN(C(=O)C2=CC=CC=C2O)CC1	REAL000000008833	1	44	-1.0	-55.37	359.92	2.76	-52.61
O=C(CCCC1=NNN=N1)N1CCN(C(=O)C2=CC=CC=C2O)CC1	REAL000000008833	1	45	0.0	-24.34	362.34	2.72	-21.62
O=C(CCC1=NN=N[N-]1)N1CCN(C(=O)C2=CC=CC=C2O)CC1	REAL000000008834	0	41	-1.0	-45.16	338.48	1.98	-43.18
O=C(CCC1=N[N-]N=N1)N1CCN(C(=O)C2=CC=CC=C2O)CC1	REAL000000008834	1	41	-1.0	-45.15	338.43	1.97	-43.18
O=C(CCC1=NNN=N1)N1CCN(C(=O)C2=CC=CC=C2O)CC1	REAL000000008834	1	42	0.0	-18.72	341.85	1.99	-16.73
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCN(C(=O)C2=CC=CC=C2O)CC1	REAL000000008835	0	48	0.0	-21.33	380.07	5.97	-15.36
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCN(C(=O)C2=CC=CC=C2O)CC1	REAL000000008836	0	45	0.0	-16.76	365.01	3.68	-13.08
CN(CC1=CC=CC=C1O)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008837	0	40	0.0	-12.23	328.21	5.48	-6.76
CN(CC1=CC=CC=C1O)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008838	0	37	0.0	-10.75	313.41	3.26	-7.48
O=C(CCCC1=NN=N[N-]1)N1CCC(C(=O)C2=CC=C(O)C=C2)CC1	REAL000000008839	0	45	-1.0	-55.93	367.35	4.17	-51.76
O=C(CCCC1=N[N-]N=N1)N1CCC(C(=O)C2=CC=C(O)C=C2)CC1	REAL000000008839	1	45	-1.0	-55.91	367.29	4.17	-51.74
O=C(CCC1=NN=N[N-]1)N1CCC(C(=O)C2=CC=C(O)C=C2)CC1	REAL000000008840	0	42	-1.0	-47.07	345.89	3.39	-43.68
O=C(CCC1=N[N-]N=N1)N1CCC(C(=O)C2=CC=C(O)C=C2)CC1	REAL000000008840	1	42	-1.0	-47.07	345.83	3.39	-43.68
O=C(C1=CC=C(O)C=C1)C1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008841	0	49	0.0	-25.56	394.86	6.68	-18.89
O=C(C1=CC=C([O-])C=C1)C1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008841	1	48	-1.0	-56.43	391.30	7.45	-48.98
O=C(C1=CC=C(O)C=C1)C1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008842	0	46	0.0	-16.73	378.62	4.42	-12.31
O=C(C1=CC=C([O-])C=C1)C1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008842	1	45	-1.0	-48.96	375.06	5.20	-43.76
COC1=CC=C(CN(C)C(=O)CCCC2=NN=N[N-]2)C=C1O	REAL000000008843	0	40	-1.0	-50.10	336.57	2.76	-47.34
COC1=CC=C(CN(C)C(=O)CCCC2=N[N-]N=N2)C=C1O	REAL000000008843	1	40	-1.0	-50.09	336.51	2.76	-47.33
COC1=CC=C(CN(C)C(=O)CCCC2=NNN=N2)C=C1O	REAL000000008843	1	41	0.0	-16.74	339.63	2.75	-13.99
COC1=CC=C(CN(C)C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1O	REAL000000008844	0	44	0.0	-18.71	363.97	5.23	-13.48
COC1=CC=C(CN(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1O	REAL000000008845	0	41	0.0	-14.70	346.96	3.14	-11.56
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1=CC=C(O)C=C1	REAL000000008846	0	40	-1.0	-49.46	331.77	4.10	-45.35
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1=CC=C(O)C=C1	REAL000000008846	1	40	-1.0	-49.44	331.71	4.09	-45.34
O=C(CCCC1=NNN=N1)N1CCCC1C1=CC=C(O)C=C1	REAL000000008846	1	41	0.0	-16.32	335.14	4.11	-12.21
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCCC1C1=CC=C(O)C=C1	REAL000000008847	0	44	0.0	-19.97	356.91	6.43	-13.53
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCCC1C1=CC=C(O)C=C1	REAL000000008848	0	41	0.0	-12.46	342.41	4.36	-8.11
O=C(CCCC1=NN=N[N-]1)N(CC1=CC=CC(O)=C1)CC1CC1	REAL000000008849	0	43	-1.0	-47.68	358.32	5.21	-42.47
O=C(CCCC1=N[N-]N=N1)N(CC1=CC=CC(O)=C1)CC1CC1	REAL000000008849	1	43	-1.0	-47.66	358.27	5.20	-42.47
O=C(CCCC1=NNN=N1)N(CC1=CC=CC(O)=C1)CC1CC1	REAL000000008849	1	44	0.0	-13.82	361.70	5.22	-8.60
O=C(CCC1=NN=N[N-]1)N(CC1=CC=CC(O)=C1)CC1CC1	REAL000000008850	0	40	-1.0	-41.61	336.83	4.43	-37.18
O=C(CCC1=N[N-]N=N1)N(CC1=CC=CC(O)=C1)CC1CC1	REAL000000008850	1	40	-1.0	-41.60	336.77	4.42	-37.18
O=C(CCC1=NNN=N1)N(CC1=CC=CC(O)=C1)CC1CC1	REAL000000008850	1	41	0.0	-10.02	340.20	4.44	-5.59
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N(CC1=CC=CC(O)=C1)CC1CC1	REAL000000008851	0	47	0.0	-16.07	380.88	7.41	-8.66
O=C(C1=CC=C(C2=NNN=N2)C=N1)N(CC1=CC=CC(O)=C1)CC1CC1	REAL000000008852	0	44	0.0	-10.74	366.38	5.68	-5.06
CCCN(CC1=CC=CC=C1O)C(=O)CCCC1=NN=N[N-]1	REAL000000008853	0	42	-1.0	-47.82	343.10	4.63	-43.18
CCCN(CC1=CC=CC=C1O)C(=O)CCCC1=N[N-]N=N1	REAL000000008853	1	42	-1.0	-47.81	343.04	4.62	-43.18
CCCN(CC1=CC=CC=C1O)C(=O)CCCC1=NNN=N1	REAL000000008853	1	43	0.0	-13.31	345.22	5.92	-7.39
CCCN(CC1=CC=CC=C1O)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008854	0	46	0.0	-16.36	365.39	7.03	-9.34
CCCN(CC1=CC=CC=C1O)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008855	0	43	0.0	-10.28	353.01	5.36	-4.92
O=C(CCCC1=NN=N[N-]1)N1CCC(C(=O)NC2=CC=C(O)C=C2)CC1	REAL000000008856	0	47	-1.0	-58.38	381.13	2.70	-55.68
O=C(CCCC1=N[N-]N=N1)N1CCC(C(=O)NC2=CC=C(O)C=C2)CC1	REAL000000008856	1	47	-1.0	-58.37	381.07	2.70	-55.66
O=C(CCCC1=NNN=N1)N1CCC(C(=O)NC2=CC=C(O)C=C2)CC1	REAL000000008856	1	48	0.0	-21.76	384.51	2.71	-19.06
O=C(CCC1=NN=N[N-]1)N1CCC(C(=O)NC2=CC=C(O)C=C2)CC1	REAL000000008857	0	44	-1.0	-48.62	359.45	1.89	-46.73
O=C(CCC1=N[N-]N=N1)N1CCC(C(=O)NC2=CC=C(O)C=C2)CC1	REAL000000008857	1	44	-1.0	-48.61	359.39	1.88	-46.73
O=C(CCC1=NNN=N1)N1CCC(C(=O)NC2=CC=C(O)C=C2)CC1	REAL000000008857	1	45	0.0	-20.46	363.00	1.93	-18.53
O=C(NC1=CC=C(O)C=C1)C1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008858	0	48	0.0	-18.82	393.70	2.87	-15.95
O=C(NCCSCCCO)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008859	0	40	0.0	-19.77	346.88	2.90	-16.87
O=C(NCCSCCCO)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008860	0	37	0.0	-12.19	332.33	-0.16	-12.35
CC(C1=CC=CC(O)=C1)N(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008861	0	43	0.0	-18.23	350.24	5.76	-12.48
CC(C1=CC=CC(O)=C1)N(C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008862	0	40	0.0	-10.18	331.26	3.96	-6.22
O=C(NCCN1N=CN=N1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008863	0	34	0.0	-22.02	299.11	3.16	-18.86
O=C(NCCN1C=NN=N1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008864	0	34	0.0	-28.74	298.68	3.50	-25.24
COC(=O)C1=CSC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000008865	0	36	0.0	-15.71	327.82	5.96	-9.75
COC(=O)C1=CSC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000008866	0	33	0.0	-10.84	313.26	2.90	-7.93
COCC(C)(C#N)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008867	0	37	0.0	-22.82	314.99	3.33	-19.49
CCN(CC1=CC(Br)=CC=C1O)C(=O)CCCC1=NN=N[N-]1	REAL000000008868	0	39	-1.0	-46.39	341.63	5.75	-40.65
CCN(CC1=CC(Br)=CC=C1O)C(=O)CCCC1=N[N-]N=N1	REAL000000008868	1	39	-1.0	-46.39	341.57	5.75	-40.64
CCN(CC1=CC(Br)=CC=C1O)C(=O)CCCC1=NNN=N1	REAL000000008868	1	40	0.0	-12.24	345.00	5.75	-6.48
CCN(CC1=CC(Br)=CC=C1O)C(=O)CCC1=NN=N[N-]1	REAL000000008869	0	36	-1.0	-40.64	320.13	4.96	-35.67
CCN(CC1=CC(Br)=CC=C1O)C(=O)CCC1=N[N-]N=N1	REAL000000008869	1	36	-1.0	-40.64	320.07	4.96	-35.68
CCN(CC1=CC(Br)=CC=C1O)C(=O)CCC1=NNN=N1	REAL000000008869	1	37	0.0	-9.28	323.51	4.97	-4.31
CC(C)CC(CCO)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008870	0	48	0.0	-15.67	370.28	3.91	-11.77
CC(C)CC(CCO)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008871	0	45	0.0	-9.75	356.10	0.94	-8.82
O=C(CCCC1=NN=N[N-]1)NC1=CN=CN=C1N1CCCC1	REAL000000008872	0	39	-1.0	-46.46	321.17	3.27	-43.18
O=C(CCCC1=N[N-]N=N1)NC1=CN=CN=C1N1CCCC1	REAL000000008872	1	39	-1.0	-46.45	321.11	3.27	-43.17
O=C(CCCC1=NNN=N1)NC1=CN=CN=C1N1CCCC1	REAL000000008872	1	40	0.0	-14.38	324.55	3.28	-11.10
O=C(NC1=CN=CN=C1N1CCCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008873	0	43	0.0	-15.53	347.66	6.50	-9.04
O=C(NC1=CN=CN=C1N1CCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008874	0	40	0.0	-8.99	335.16	3.07	-5.92
CN(CCC1CCOCC1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008875	0	46	0.0	-16.76	358.54	6.55	-10.21
CN(CCC1CCOCC1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008876	0	43	0.0	-10.01	341.42	4.55	-5.45
CCCC1CCCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000008877	0	45	0.0	-15.64	344.63	8.15	-7.50
CCCC1CCCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000008878	0	42	0.0	-8.58	328.87	5.89	-2.69
NC(=O)CN1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008879	0	42	0.0	-19.21	333.18	0.70	-18.51
NC(=O)CN1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008880	0	39	0.0	-15.31	318.03	-1.55	-16.86
CC(NC(=O)CCCC1=NN=N[N-]1)(C(N)=O)C1=CC=CC=C1	REAL000000008881	0	39	-1.0	-53.64	322.90	1.07	-52.58
CC(NC(=O)CCCC1=N[N-]N=N1)(C(N)=O)C1=CC=CC=C1	REAL000000008881	1	39	-1.0	-53.64	322.84	1.07	-52.57
CC(NC(=O)CCCC1=NNN=N1)(C(N)=O)C1=CC=CC=C1	REAL000000008881	1	40	0.0	-21.26	326.26	1.07	-20.18
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)(C(N)=O)C1=CC=CC=C1	REAL000000008882	0	43	0.0	-21.76	351.71	3.92	-17.84
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)(C(N)=O)C1=CC=CC=C1	REAL000000008883	0	40	0.0	-13.59	336.85	0.87	-12.73
O=C(NCC1=CC=C2COCC2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008884	0	41	0.0	-15.44	343.65	5.63	-9.81
O=C(NCC1=CC=C2COCC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008885	0	38	0.0	-9.75	329.09	2.56	-7.19
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2=NC3=C(CCCC3)S2)C1	REAL000000008886	0	48	-1.0	-52.22	384.94	6.88	-45.34
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2=NC3=C(CCCC3)S2)C1	REAL000000008886	1	48	-1.0	-52.20	384.88	6.88	-45.33
O=C(CCCC1=NNN=N1)N1CCCC(C2=NC3=C(CCCC3)S2)C1	REAL000000008886	1	49	0.0	-18.48	388.32	6.89	-11.59
O=C(CCC1=NN=N[N-]1)N1CCCC(C2=NC3=C(CCCC3)S2)C1	REAL000000008887	0	45	-1.0	-43.12	363.44	6.10	-37.02
O=C(CCC1=N[N-]N=N1)N1CCCC(C2=NC3=C(CCCC3)S2)C1	REAL000000008887	1	45	-1.0	-43.12	363.38	6.10	-37.02
O=C(CCC1=NNN=N1)N1CCCC(C2=NC3=C(CCCC3)S2)C1	REAL000000008887	1	46	0.0	-13.56	366.82	6.11	-7.44
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCCC(C2=NC3=C(CCCC3)S2)C1	REAL000000008888	0	49	0.0	-10.83	396.04	7.12	-3.71
O=C(CCCC1=NN=N[N-]1)N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL000000008889	0	41	-1.0	-51.61	346.48	7.71	-43.90
O=C(CCCC1=N[N-]N=N1)N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL000000008889	1	41	-1.0	-51.60	346.43	7.71	-43.89
O=C(CCCC1=NNN=N1)N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL000000008889	1	42	0.0	-22.01	349.86	7.72	-14.29
O=C(CCC1=NN=N[N-]1)N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL000000008890	0	38	-1.0	-40.42	324.99	6.92	-33.50
O=C(CCC1=N[N-]N=N1)N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL000000008890	1	38	-1.0	-40.42	324.94	6.92	-33.50
O=C(CCC1=NNN=N1)N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL000000008890	1	39	0.0	-18.04	327.63	6.90	-11.14
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL000000008891	0	45	0.0	-20.42	371.30	9.74	-10.68
O=C(C1=CC=C(C2=NNN=N2)C=N1)N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL000000008892	0	42	0.0	-12.43	353.30	8.31	-4.12
COCCC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008893	0	43	0.0	-15.55	352.34	5.18	-10.37
COCCC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008894	0	40	0.0	-8.99	338.60	2.08	-6.91
O=C(CCCC1=NN=N[N-]1)N1CCC(OCCN2CCOCC2)C1	REAL000000008895	0	49	-1.0	-51.61	386.19	1.48	-50.14
O=C(CCCC1=N[N-]N=N1)N1CCC(OCCN2CCOCC2)C1	REAL000000008895	1	49	-1.0	-51.60	386.13	1.48	-50.12
O=C(CCC1=NN=N[N-]1)N1CCC(OCCN2CCOCC2)C1	REAL000000008896	0	46	-1.0	-41.83	365.62	0.72	-41.11
O=C(CCC1=N[N-]N=N1)N1CCC(OCCN2CCOCC2)C1	REAL000000008896	1	46	-1.0	-41.82	365.56	0.71	-41.12
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC(OCCN2CCOCC2)C1	REAL000000008897	0	50	0.0	-11.56	397.40	1.66	-9.90
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CC=CC(Cl)=C1	REAL000000008898	0	36	-1.0	-47.98	325.32	1.60	-46.37
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CC=CC(Cl)=C1	REAL000000008898	1	36	-1.0	-47.96	325.26	1.60	-46.36
O=C(CCCC1=NNN=N1)NCC(O)C1=CC=CC(Cl)=C1	REAL000000008898	1	37	0.0	-15.20	328.70	1.61	-13.59
O=C(NCC(O)C1=CC=CC(Cl)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008899	0	40	0.0	-16.67	353.37	4.54	-12.13
O=C(NCC(O)C1=CC=CC(Cl)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008900	0	37	0.0	-10.70	339.30	1.39	-9.31
O=C(CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)NCCO	REAL000000008901	0	37	0.0	-17.21	318.08	-1.48	-18.69
O=C(CCCC1=NN=N[N-]1)NCC(O)COC1=CC=C(F)C(F)=C1	REAL000000008902	0	40	-1.0	-49.57	354.23	0.90	-48.66
O=C(CCCC1=N[N-]N=N1)NCC(O)COC1=CC=C(F)C(F)=C1	REAL000000008902	1	40	-1.0	-49.55	354.18	0.90	-48.65
O=C(CCCC1=NNN=N1)NCC(O)COC1=CC=C(F)C(F)=C1	REAL000000008902	1	41	0.0	-17.57	357.61	0.90	-16.66
O=C(CCC1=NN=N[N-]1)NCC(O)COC1=CC=C(F)C(F)=C1	REAL000000008903	0	37	-1.0	-42.73	332.74	0.11	-42.61
O=C(CCC1=N[N-]N=N1)NCC(O)COC1=CC=C(F)C(F)=C1	REAL000000008903	1	37	-1.0	-42.72	332.68	0.11	-42.61
O=C(CCC1=NNN=N1)NCC(O)COC1=CC=C(F)C(F)=C1	REAL000000008903	1	38	0.0	-13.53	335.82	0.18	-13.35
O=C(NCC(O)COC1=CC=C(F)C(F)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008904	0	44	0.0	-18.43	382.47	3.82	-14.61
O=C(NCC(O)COC1=CC=C(F)C(F)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008905	0	41	0.0	-13.02	368.21	0.70	-12.32
O=C(N[C@@H](CO)C1=CC=CC=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008906	0	40	0.0	-15.07	333.95	4.02	-11.05
O=C(N[C@@H](CO)C1=CC=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008907	0	37	0.0	-9.58	319.40	0.96	-8.62
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CC=C(Cl)C=C1Cl	REAL000000008908	0	36	-1.0	-47.79	338.69	2.07	-45.72
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CC=C(Cl)C=C1Cl	REAL000000008908	1	36	-1.0	-47.77	338.64	2.06	-45.71
O=C(CCCC1=NNN=N1)NCC(O)C1=CC=C(Cl)C=C1Cl	REAL000000008908	1	37	0.0	-14.84	341.68	2.14	-12.71
O=C(CCC1=NN=N[N-]1)NCC(O)C1=CC=C(Cl)C=C1Cl	REAL000000008909	0	33	-1.0	-40.74	317.20	1.29	-39.45
O=C(CCC1=N[N-]N=N1)NCC(O)C1=CC=C(Cl)C=C1Cl	REAL000000008909	1	33	-1.0	-40.73	317.14	1.28	-39.45
O=C(CCC1=NNN=N1)NCC(O)C1=CC=C(Cl)C=C1Cl	REAL000000008909	1	34	0.0	-11.19	320.57	1.30	-9.89
O=C(NCC(O)C1=CC=C(Cl)C=C1Cl)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008910	0	40	0.0	-16.52	367.62	4.89	-11.63
O=C(NCC(O)C1=CC=C(Cl)C=C1Cl)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008911	0	37	0.0	-10.52	352.67	1.86	-8.66
CC(C)(C)C(O)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008912	0	42	0.0	-14.27	331.36	2.73	-11.54
CCC(CC)C(O)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008913	0	45	0.0	-14.28	351.52	3.58	-10.70
CCC(CC)C(O)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008914	0	42	0.0	-8.57	335.09	0.22	-8.35
CCC(C)C(O)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008915	0	42	0.0	-14.28	333.29	3.04	-11.24
CC1=CC=CC=C1C(O)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008916	0	43	0.0	-16.22	353.43	4.53	-11.70
CC1=CC=CC=C1C(O)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008917	0	40	0.0	-10.04	337.14	1.46	-8.58
CC(C)OC1=CC=CC(C(O)CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL000000008918	0	46	-1.0	-48.83	377.86	1.96	-46.87
CC(C)OC1=CC=CC(C(O)CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL000000008918	1	46	-1.0	-48.81	377.80	1.96	-46.86
CC(C)OC1=CC=CC(C(O)CNC(=O)CCCC2=NNN=N2)=C1	REAL000000008918	1	47	0.0	-15.93	380.77	2.05	-13.88
CC(C)OC1=CC=CC(C(O)CNC(=O)CCC2=NN=N[N-]2)=C1	REAL000000008919	0	43	-1.0	-42.06	355.88	1.25	-40.81
CC(C)OC1=CC=CC(C(O)CNC(=O)CCC2=N[N-]N=N2)=C1	REAL000000008919	1	43	-1.0	-42.06	355.83	1.25	-40.81
CC(C)OC1=CC=CC(C(O)CNC(=O)CCC2=NNN=N2)=C1	REAL000000008919	1	44	0.0	-12.25	359.26	1.26	-10.98
CC(C)OC1=CC=CC(C(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000008920	0	50	0.0	-17.46	406.19	4.87	-12.59
CC(C)OC1=CC=CC(C(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000008921	0	47	0.0	-11.38	391.34	1.84	-9.55
CC(C)(C)C1=CC=C(C(O)CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL000000008922	0	48	-1.0	-47.39	384.31	3.51	-43.88
CC(C)(C)C1=CC=C(C(O)CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL000000008922	1	48	-1.0	-47.37	384.25	3.51	-43.86
CC(C)(C)C1=CC=C(C(O)CNC(=O)CCCC2=NNN=N2)C=C1	REAL000000008922	1	49	0.0	-14.30	387.66	3.52	-10.78
CC(C)(C)C1=CC=C(C(O)CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL000000008923	0	45	-1.0	-40.33	363.30	2.64	-37.70
CC(C)(C)C1=CC=C(C(O)CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL000000008923	1	45	-1.0	-40.33	363.24	2.64	-37.69
CC(C)(C)C1=CC=C(C(O)CNC(=O)CCC2=NNN=N2)C=C1	REAL000000008923	1	46	0.0	-10.64	366.67	2.65	-7.99
CC(C)(C)C1=CC=C(C(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000008924	0	52	0.0	-15.97	413.33	6.29	-9.68
CC(C)(C)C1=CC=C(C(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000008925	0	49	0.0	-9.88	398.80	3.22	-6.67
CC(C)OC1=CC=C(C(O)CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL000000008926	0	46	-1.0	-49.02	377.86	1.95	-47.06
CC(C)OC1=CC=C(C(O)CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL000000008926	1	46	-1.0	-49.00	377.80	1.95	-47.04
CC(C)OC1=CC=C(C(O)CNC(=O)CCCC2=NNN=N2)C=C1	REAL000000008926	1	47	0.0	-16.19	381.24	1.96	-14.22
CC(C)OC1=CC=C(C(O)CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL000000008927	0	43	-1.0	-41.69	355.89	1.26	-40.43
CC(C)OC1=CC=C(C(O)CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL000000008927	1	43	-1.0	-41.69	355.83	1.25	-40.43
CC(C)OC1=CC=C(C(O)CNC(=O)CCC2=NNN=N2)C=C1	REAL000000008927	1	44	0.0	-12.29	359.26	1.26	-11.03
CC(C)OC1=CC=C(C(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000008928	0	50	0.0	-17.76	406.66	4.79	-12.97
CC(C)OC1=CC=C(C(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000008929	0	47	0.0	-11.56	391.85	1.75	-9.81
O=C(NCC(O)C1CCOCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008930	0	44	0.0	-15.68	350.48	1.68	-14.00
O=C(NCC(O)C1CCOCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008931	0	41	0.0	-10.07	335.92	-1.40	-11.47
O=C(NCC(O)C1CCCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008932	0	43	0.0	-14.31	339.78	3.68	-10.63
O=C(NCC(O)C1CCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008933	0	40	0.0	-8.47	325.22	0.61	-7.86
CC(C)CC(O)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008934	0	42	0.0	-14.52	339.39	2.97	-11.55
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CC(Cl)=C2OCCOC2=C1	REAL000000008935	0	42	-1.0	-51.09	368.55	0.88	-50.21
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CC(Cl)=C2OCCOC2=C1	REAL000000008935	1	42	-1.0	-51.07	368.49	0.87	-50.20
O=C(CCCC1=NNN=N1)NCC(O)C1=CC(Cl)=C2OCCOC2=C1	REAL000000008935	1	43	0.0	-18.23	371.94	0.89	-17.33
O=C(CCC1=NN=N[N-]1)NCC(O)C1=CC(Cl)=C2OCCOC2=C1	REAL000000008936	0	39	-1.0	-43.73	347.05	0.10	-43.64
O=C(CCC1=N[N-]N=N1)NCC(O)C1=CC(Cl)=C2OCCOC2=C1	REAL000000008936	1	39	-1.0	-43.73	347.00	0.09	-43.64
O=C(CCC1=NNN=N1)NCC(O)C1=CC(Cl)=C2OCCOC2=C1	REAL000000008936	1	40	0.0	-14.57	350.94	0.02	-14.55
CCCN(C(=O)C1=CC=CS1)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL000000008937	0	52	-1.0	-57.23	407.37	6.88	-50.35
CCCN(C(=O)C1=CC=CS1)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL000000008937	1	52	-1.0	-57.21	407.31	6.88	-50.34
CCCN(C(=O)C1=CC=CS1)C1CCN(C(=O)CCCC2=NNN=N2)CC1	REAL000000008937	1	53	0.0	-21.31	410.75	6.89	-14.43
CCCN(C(=O)C1=CC=CS1)C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL000000008938	0	49	-1.0	-49.90	386.13	6.06	-43.85
CCCN(C(=O)C1=CC=CS1)C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL000000008938	1	49	-1.0	-49.90	386.07	6.06	-43.84
CCCN(C(=O)C1=CC=CS1)C1CCN(C(=O)CCC2=NNN=N2)CC1	REAL000000008938	1	50	0.0	-16.62	389.47	6.06	-10.56
CC(O)CC(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL000000008939	0	45	-1.0	-48.87	367.57	3.03	-45.84
CC(O)CC(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL000000008939	1	45	-1.0	-48.86	367.52	3.03	-45.84
CC(O)CC(CNC(=O)CCCC1=NNN=N1)C1=CC=CC=C1	REAL000000008939	1	46	0.0	-14.54	370.79	3.01	-11.54
CC(O)CC(CNC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL000000008940	0	42	-1.0	-40.03	343.66	2.50	-37.53
CC(O)CC(CNC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL000000008940	1	42	-1.0	-40.03	343.60	2.49	-37.54
CC(O)CC(CNC(=O)CCC1=NNN=N1)C1=CC=CC=C1	REAL000000008940	1	43	0.0	-12.07	349.56	2.24	-9.83
CC(O)CC(CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC=C1	REAL000000008941	0	49	0.0	-17.86	395.90	5.85	-12.00
CC(O)CC(CNC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC=C1	REAL000000008942	0	46	0.0	-10.67	381.17	2.79	-7.88
CS(=O)(=O)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL000000008943	0	38	-1.0	-61.92	343.66	1.60	-60.32
CS(=O)(=O)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL000000008943	1	38	-1.0	-61.91	343.60	1.60	-60.31
CS(=O)(=O)CC1=CC=C(NC(=O)CCCC2=NNN=N2)C=C1F	REAL000000008943	1	39	0.0	-27.82	347.03	1.61	-26.21
CS(=O)(=O)CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1F	REAL000000008944	0	35	-1.0	-53.22	322.16	0.82	-52.40
CS(=O)(=O)CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1F	REAL000000008944	1	35	-1.0	-53.21	322.10	0.82	-52.39
CS(=O)(=O)CC1=CC=C(NC(=O)CCC2=NNN=N2)C=C1F	REAL000000008944	1	36	0.0	-23.46	325.55	0.83	-22.63
CS(=O)(=O)CC1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1F	REAL000000008945	0	42	0.0	-30.88	372.48	4.50	-26.38
CS(=O)(=O)CC1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1F	REAL000000008946	0	39	0.0	-21.65	357.36	1.42	-20.23
CC1=NN(CC(C)C)C(Cl)=C1C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL000000008947	0	51	-1.0	-51.35	410.59	7.59	-43.76
CC1=NN(CC(C)C)C(Cl)=C1C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL000000008947	1	51	-1.0	-51.33	410.53	7.59	-43.75
CC1=NN(CC(C)C)C(Cl)=C1C1CCCN1C(=O)CCCC1=NNN=N1	REAL000000008947	1	52	0.0	-16.65	413.97	7.59	-9.06
CC1=NN(CC(C)C)C(Cl)=C1C1CCCN1C(=O)CCC1=NN=N[N-]1	REAL000000008948	0	48	-1.0	-43.73	389.14	6.81	-36.92
CC1=NN(CC(C)C)C(Cl)=C1C1CCCN1C(=O)CCC1=N[N-]N=N1	REAL000000008948	1	48	-1.0	-43.73	389.09	6.81	-36.92
CC1=NN(CC(C)C)C(Cl)=C1C1CCCN1C(=O)CCC1=NNN=N1	REAL000000008948	1	49	0.0	-12.45	397.15	7.23	-5.22
O=C(NC1=CC=CC(OCCF)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008949	0	40	0.0	-21.91	340.18	6.58	-15.33
O=C(NC1=CC=CC(OCCF)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008950	0	37	0.0	-14.37	325.23	3.55	-10.82
O=C(NCC(O)C1=CSC=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008951	0	37	0.0	-15.95	327.72	2.90	-13.05
O=C(NCC(O)C1=CSC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008952	0	34	0.0	-9.87	312.76	-0.13	-10.00
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=C(F)C=CC=C1Cl	REAL000000008953	0	36	-1.0	-48.15	325.07	1.73	-46.42
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=C(F)C=CC=C1Cl	REAL000000008953	1	36	-1.0	-48.14	325.01	1.72	-46.42
O=C(CCCC1=NNN=N1)NCC(O)C1=C(F)C=CC=C1Cl	REAL000000008953	1	37	0.0	-14.47	328.44	1.74	-12.74
O=C(CCC1=NN=N[N-]1)NCC(O)C1=C(F)C=CC=C1Cl	REAL000000008954	0	33	-1.0	-41.34	304.11	0.85	-40.48
O=C(CCC1=N[N-]N=N1)NCC(O)C1=C(F)C=CC=C1Cl	REAL000000008954	1	33	-1.0	-41.33	304.06	0.86	-40.47
O=C(CCC1=NNN=N1)NCC(O)C1=C(F)C=CC=C1Cl	REAL000000008954	1	34	0.0	-10.84	307.50	0.90	-9.94
O=C(NCC(O)C1=C(F)C=CC=C1Cl)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008955	0	40	0.0	-16.13	354.16	4.50	-11.63
O=C(NCC(O)C1=C(F)C=CC=C1Cl)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008956	0	37	0.0	-10.27	339.59	1.43	-8.84
CC1=CC=C(C(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)O1	REAL000000008957	0	40	0.0	-17.46	343.04	2.81	-14.65
CC1=CC=C(C(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)O1	REAL000000008958	0	37	0.0	-11.10	328.09	-0.21	-11.31
COC1=CC=C(CC(CO)CNC(=O)CCCC2=NN=N[N-]2)C=C1O	REAL000000008959	0	47	-1.0	-50.49	384.34	-0.01	-50.51
COC1=CC=C(CC(CO)CNC(=O)CCCC2=N[N-]N=N2)C=C1O	REAL000000008959	1	47	-1.0	-50.49	384.28	-0.02	-50.51
COC1=CC=C(CC(CO)CNC(=O)CCCC2=NNN=N2)C=C1O	REAL000000008959	1	48	0.0	-19.06	387.72	0.00	-19.06
COC1=CC=C(CC(CO)CNC(=O)CCC2=NN=N[N-]2)C=C1O	REAL000000008960	0	44	-1.0	-44.69	362.84	-0.80	-45.49
COC1=CC=C(CC(CO)CNC(=O)CCC2=N[N-]N=N2)C=C1O	REAL000000008960	1	44	-1.0	-44.68	362.78	-0.80	-45.48
COC1=CC=C(CC(CO)CNC(=O)CCC2=NNN=N2)C=C1O	REAL000000008960	1	45	0.0	-14.43	366.22	-0.79	-15.22
COC1=CC=C(CC(CO)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1O	REAL000000008961	0	51	0.0	-19.32	412.87	2.85	-16.47
COC1=CC=C(CC(CO)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1O	REAL000000008962	0	48	0.0	-14.68	399.29	-0.21	-14.89
CN1C=C(C(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=N1	REAL000000008963	0	40	0.0	-20.38	341.95	1.57	-18.81
CN1C=C(C(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=N1	REAL000000008964	0	37	0.0	-13.99	326.44	-1.37	-15.36
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CC=CC(OCC2=CC=CC=C2)=C1	REAL000000008965	0	50	-1.0	-50.29	419.36	4.45	-45.84
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CC=CC(OCC2=CC=CC=C2)=C1	REAL000000008965	1	50	-1.0	-50.29	419.30	4.44	-45.85
O=C(CCCC1=NNN=N1)NCC(O)C1=CC=CC(OCC2=CC=CC=C2)=C1	REAL000000008965	1	51	0.0	-17.05	422.74	4.46	-12.59
O=C(CCC1=NN=N[N-]1)NCC(O)C1=CC=CC(OCC2=CC=CC=C2)=C1	REAL000000008966	0	47	-1.0	-43.31	398.37	3.58	-39.73
O=C(CCC1=N[N-]N=N1)NCC(O)C1=CC=CC(OCC2=CC=CC=C2)=C1	REAL000000008966	1	47	-1.0	-43.31	398.31	3.57	-39.73
O=C(CCC1=NNN=N1)NCC(O)C1=CC=CC(OCC2=CC=CC=C2)=C1	REAL000000008966	1	48	0.0	-13.43	401.25	3.67	-9.76
CC1=C2C(=CC=C1)N=C(CNC(=O)CCCC1=NN=N[N-]1)N2C	REAL000000008967	0	41	-1.0	-50.05	340.72	4.24	-45.81
CC1=C2C(=CC=C1)N=C(CNC(=O)CCCC1=N[N-]N=N1)N2C	REAL000000008967	1	41	-1.0	-50.02	340.66	4.24	-45.79
CC1=C2C(=CC=C1)N=C(CNC(=O)CCCC1=NNN=N1)N2C	REAL000000008967	1	42	0.0	-17.51	344.09	4.25	-13.26
CC1=C2C(=CC=C1)N=C(CNC(=O)C1=CC=CC(NC3=NNN=N3)=C1)N2C	REAL000000008968	0	45	0.0	-18.21	369.35	7.08	-11.13
CC1=C2C(=CC=C1)N=C(CNC(=O)C1=CC=C(C3=NNN=N3)C=N1)N2C	REAL000000008969	0	42	0.0	-13.29	354.69	4.03	-9.27
O=C(CCCC1=NN=N[N-]1)N1CCCCCC1CC(O)C1=CC=CO1	REAL000000008970	0	49	-1.0	-48.20	377.64	4.65	-43.55
O=C(CCCC1=N[N-]N=N1)N1CCCCCC1CC(O)C1=CC=CO1	REAL000000008970	1	49	-1.0	-48.18	377.58	4.65	-43.53
O=C(CCCC1=NNN=N1)N1CCCCCC1CC(O)C1=CC=CO1	REAL000000008970	1	50	0.0	-13.73	378.10	4.50	-9.24
O=C(CCC1=NN=N[N-]1)N1CCCCCC1CC(O)C1=CC=CO1	REAL000000008971	0	46	-1.0	-41.30	350.19	5.50	-35.80
O=C(CCC1=N[N-]N=N1)N1CCCCCC1CC(O)C1=CC=CO1	REAL000000008971	1	46	-1.0	-41.30	350.13	5.49	-35.81
O=C(CCC1=NNN=N1)N1CCCCCC1CC(O)C1=CC=CO1	REAL000000008971	1	47	0.0	-10.43	357.43	3.75	-6.68
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCCCCC1CC(O)C1=CC=CO1	REAL000000008972	0	53	0.0	-14.41	398.46	8.52	-5.89
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCCCCC1CC(O)C1=CC=CO1	REAL000000008973	0	50	0.0	-9.81	385.36	4.80	-5.01
O=C(CCCC1=NN=N[N-]1)N1CCC(OCC[NH+]2CCCC2)C1	REAL000000008974	0	49	0.0	-72.22	378.84	5.74	-66.49
O=C(CCCC1=N[N-]N=N1)N1CCC(OCC[NH+]2CCCC2)C1	REAL000000008974	1	49	0.0	-72.21	378.78	5.73	-66.48
O=C(CCCC1=NNN=N1)N1CCC(OCC[NH+]2CCCC2)C1	REAL000000008974	1	50	1.0	-43.70	383.95	5.45	-38.25
O=C(CCC1=NN=N[N-]1)N1CCC(OCC[NH+]2CCCC2)C1	REAL000000008975	0	46	0.0	-63.63	357.36	4.96	-58.68
O=C(CCC1=N[N-]N=N1)N1CCC(OCC[NH+]2CCCC2)C1	REAL000000008975	1	46	0.0	-63.63	357.31	4.95	-58.69
O=C(CCC1=NNN=N1)N1CCC(OCC[NH+]2CCCC2)C1	REAL000000008975	1	47	1.0	-42.61	360.74	4.97	-37.64
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC(OCC[NH+]2CCCC2)C1	REAL000000008976	0	50	1.0	-41.57	389.18	5.89	-35.68
CCN(CC)C(=O)NC1=CC=C(C(C)NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL000000008977	0	53	-1.0	-55.17	428.71	6.08	-49.09
CCN(CC)C(=O)NC1=CC=C(C(C)NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL000000008977	1	53	-1.0	-55.15	428.65	6.07	-49.09
CCN(CC)C(=O)NC1=CC=C(C(C)NC(=O)CCCC2=NNN=N2)C=C1	REAL000000008977	1	54	0.0	-21.64	432.09	6.09	-15.55
CCN(CC)C(=O)NC1=CC=C(C(C)NC(=O)CCC2=NN=N[N-]2)C=C1	REAL000000008978	0	50	-1.0	-46.90	407.21	5.29	-41.61
CCN(CC)C(=O)NC1=CC=C(C(C)NC(=O)CCC2=N[N-]N=N2)C=C1	REAL000000008978	1	50	-1.0	-46.88	407.15	5.29	-41.59
CCN(CC)C(=O)NC1=CC=C(C(C)NC(=O)CCC2=NNN=N2)C=C1	REAL000000008978	1	51	0.0	-17.14	410.59	5.30	-11.84
O=C(CCCC1=NN=N[N-]1)N1CCC(C(=O)NC2=CC=CN=C2)CC1	REAL000000008979	0	45	-1.0	-56.72	365.30	3.77	-52.95
O=C(CCCC1=N[N-]N=N1)N1CCC(C(=O)NC2=CC=CN=C2)CC1	REAL000000008979	1	45	-1.0	-56.70	365.24	3.76	-52.94
O=C(CCCC1=NNN=N1)N1CCC(C(=O)NC2=CC=CN=C2)CC1	REAL000000008979	1	46	0.0	-23.56	368.67	3.78	-19.78
O=C(CCC1=NN=N[N-]1)N1CCC(C(=O)NC2=CC=CN=C2)CC1	REAL000000008980	0	42	-1.0	-47.47	343.27	2.98	-44.49
O=C(CCC1=N[N-]N=N1)N1CCC(C(=O)NC2=CC=CN=C2)CC1	REAL000000008980	1	42	-1.0	-47.47	343.21	2.97	-44.50
O=C(CCC1=NNN=N1)N1CCC(C(=O)NC2=CC=CN=C2)CC1	REAL000000008980	1	43	0.0	-18.85	347.14	3.00	-15.85
O=C(NC1=CC=CN=C1)C1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008981	0	49	0.0	-25.18	392.70	6.30	-18.89
O=C(NC1=CC=CN=C1)C1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008982	0	46	0.0	-17.35	375.78	4.03	-13.32
CCC1=NNC(=O)C(CNC(=O)CCCC2=NN=N[N-]2)=C1CC	REAL000000008983	0	43	-1.0	-52.66	353.35	1.62	-51.04
CCC1=NNC(=O)C(CNC(=O)CCCC2=N[N-]N=N2)=C1CC	REAL000000008983	1	43	-1.0	-52.64	353.30	1.62	-51.02
CCC1=NNC(=O)C(CNC(=O)CCCC2=NNN=N2)=C1CC	REAL000000008983	1	44	0.0	-19.21	356.79	1.63	-17.59
CCC1=NNC(=O)C(CNC(=O)CCC2=NN=N[N-]2)=C1CC	REAL000000008984	0	40	-1.0	-45.67	331.91	0.84	-44.83
CCC1=NNC(=O)C(CNC(=O)CCC2=N[N-]N=N2)=C1CC	REAL000000008984	1	40	-1.0	-45.67	331.85	0.84	-44.83
CCC1=NNC(=O)C(CNC(=O)CCC2=NNN=N2)=C1CC	REAL000000008984	1	41	0.0	-14.94	335.29	0.85	-14.09
CCC1=NNC(=O)C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1CC	REAL000000008985	0	47	0.0	-20.84	382.28	4.44	-16.40
CCC1=NNC(=O)C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1CC	REAL000000008986	0	44	0.0	-14.74	367.34	1.41	-13.32
COC1=CC(NC2CCCN(C(=O)CCCC3=NN=N[N-]3)C2)=CC(OC)=C1	REAL000000008987	0	52	-1.0	-51.48	408.54	4.08	-47.39
COC1=CC(NC2CCCN(C(=O)CCCC3=N[N-]N=N3)C2)=CC(OC)=C1	REAL000000008987	1	52	-1.0	-51.46	408.49	4.07	-47.39
COC1=CC(NC2CCCN(C(=O)CCCC3=NNN=N3)C2)=CC(OC)=C1	REAL000000008987	1	53	0.0	-18.05	411.92	4.09	-13.95
COC1=CC(NC2CCCN(C(=O)CCC3=NN=N[N-]3)C2)=CC(OC)=C1	REAL000000008988	0	49	-1.0	-45.71	387.01	3.30	-42.42
COC1=CC(NC2CCCN(C(=O)CCC3=N[N-]N=N3)C2)=CC(OC)=C1	REAL000000008988	1	49	-1.0	-45.71	386.95	3.29	-42.42
COC1=CC(NC2CCCN(C(=O)CCC3=NNN=N3)C2)=CC(OC)=C1	REAL000000008988	1	50	0.0	-15.19	390.44	3.31	-11.88
O=C(CCCC1=NN=N[N-]1)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1	REAL000000008989	0	35	-1.0	-47.74	301.44	4.33	-43.40
O=C(CCCC1=N[N-]N=N1)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1	REAL000000008989	1	35	-1.0	-47.72	301.39	4.33	-43.40
O=C(CCCC1=NNN=N1)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1	REAL000000008989	1	36	0.0	-16.68	304.84	4.35	-12.34
O=C(CCC1=NN=N[N-]1)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1	REAL000000008990	0	32	-1.0	-39.21	279.93	3.55	-35.66
O=C(CCC1=N[N-]N=N1)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1	REAL000000008990	1	32	-1.0	-39.20	279.88	3.54	-35.66
O=C(CCC1=NNN=N1)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1	REAL000000008990	1	33	0.0	-12.38	283.30	3.56	-8.82
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1	REAL000000008991	0	39	0.0	-16.15	327.76	6.69	-9.46
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1	REAL000000008992	0	36	0.0	-10.49	312.31	4.53	-5.96
O=C(CCCC1=NN=N[N-]1)N(CC1=CC=CC(C2=CC=CN=C2)=C1)C1CC1	REAL000000008993	0	48	-1.0	-53.85	387.48	8.68	-45.17
O=C(CCCC1=N[N-]N=N1)N(CC1=CC=CC(C2=CC=CN=C2)=C1)C1CC1	REAL000000008993	1	48	-1.0	-53.85	387.42	8.68	-45.16
O=C(CCCC1=NNN=N1)N(CC1=CC=CC(C2=CC=CN=C2)=C1)C1CC1	REAL000000008993	1	49	0.0	-17.20	390.86	8.69	-8.50
O=C(CCC1=NN=N[N-]1)N(CC1=CC=CC(C2=CC=CN=C2)=C1)C1CC1	REAL000000008994	0	45	-1.0	-50.32	365.98	7.90	-42.41
O=C(CCC1=N[N-]N=N1)N(CC1=CC=CC(C2=CC=CN=C2)=C1)C1CC1	REAL000000008994	1	45	-1.0	-50.32	365.92	7.90	-42.42
O=C(CCC1=NNN=N1)N(CC1=CC=CC(C2=CC=CN=C2)=C1)C1CC1	REAL000000008994	1	46	0.0	-13.78	369.36	7.91	-5.87
O=C(C1=CC=C(C2=NNN=N2)C=N1)N(CC1=CC=CC(C2=CC=CN=C2)=C1)C1CC1	REAL000000008995	0	49	0.0	-12.33	393.43	9.23	-3.11
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC2=CC=CC(F)=C21	REAL000000008996	0	37	0.0	-24.58	303.13	8.00	-16.58
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2=CC=CC(F)=C21	REAL000000008997	0	34	0.0	-14.81	291.10	5.85	-8.96
COC1=CC=C(Br)C=C1CNC(=O)CCCC1=NN=N[N-]1	REAL000000008998	0	36	-1.0	-47.45	328.86	3.44	-44.01
COC1=CC=C(Br)C=C1CNC(=O)CCCC1=N[N-]N=N1	REAL000000008998	1	36	-1.0	-47.44	328.80	3.43	-44.01
COC1=CC=C(Br)C=C1CNC(=O)CCCC1=NNN=N1	REAL000000008998	1	37	0.0	-14.00	332.25	3.45	-10.55
COC1=CC=C(Br)C=C1CNC(=O)CCC1=NN=N[N-]1	REAL000000008999	0	33	-1.0	-40.23	307.37	2.65	-37.58
COC1=CC=C(Br)C=C1CNC(=O)CCC1=N[N-]N=N1	REAL000000008999	1	33	-1.0	-40.23	307.31	2.65	-37.58
COC1=CC=C(Br)C=C1CNC(=O)CCC1=NNN=N1	REAL000000008999	1	34	0.0	-10.15	310.74	2.66	-7.49
COC1=CC=C(Br)C=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009000	0	37	0.0	-9.67	342.85	3.23	-6.44
O=C(CCCC1=NN=N[N-]1)NCC1(CC2=CC=CC=C2)CCC1	REAL000000009001	0	45	-1.0	-48.61	359.29	6.51	-42.10
O=C(CCCC1=N[N-]N=N1)NCC1(CC2=CC=CC=C2)CCC1	REAL000000009001	1	45	-1.0	-48.60	359.23	6.51	-42.09
O=C(CCCC1=NNN=N1)NCC1(CC2=CC=CC=C2)CCC1	REAL000000009001	1	46	0.0	-14.69	362.67	6.52	-8.17
O=C(NCC1(CC2=CC=CC=C2)CCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009002	0	49	0.0	-16.61	387.62	9.31	-7.30
O=C(NCC1(CC2=CC=CC=C2)CCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009003	0	46	0.0	-9.34	372.66	6.28	-3.06
CC1(C)CCCCC1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009004	0	45	0.0	-15.04	339.26	7.28	-7.76
CC1(C)CCCCC1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009005	0	42	0.0	-7.99	324.70	4.22	-3.77
O=C(CCC1=NN=N[N-]1)NC1CCN(C2=NC=C(C(F)(F)F)C=C2Cl)C1	REAL000000009006	0	40	-1.0	-39.21	358.95	3.49	-35.72
O=C(CCC1=N[N-]N=N1)NC1CCN(C2=NC=C(C(F)(F)F)C=C2Cl)C1	REAL000000009006	1	40	-1.0	-39.21	358.89	3.49	-35.72
O=C(CCC1=NNN=N1)NC1CCN(C2=NC=C(C(F)(F)F)C=C2Cl)C1	REAL000000009006	1	41	0.0	-9.93	362.35	3.51	-6.43
O=C(CCCC1=NN=N[N-]1)NC1CCN(C2=NC=CC=C2Cl)C1	REAL000000009007	0	40	-1.0	-48.37	341.62	3.30	-45.07
O=C(CCCC1=N[N-]N=N1)NC1CCN(C2=NC=CC=C2Cl)C1	REAL000000009007	1	40	-1.0	-48.35	341.57	3.30	-45.05
O=C(CCCC1=NNN=N1)NC1CCN(C2=NC=CC=C2Cl)C1	REAL000000009007	1	41	0.0	-15.78	344.57	3.31	-12.47
O=C(CCC1=NN=N[N-]1)NC1CCN(C2=NC=CC=C2Cl)C1	REAL000000009008	0	37	-1.0	-41.36	320.12	2.52	-38.83
O=C(CCC1=N[N-]N=N1)NC1CCN(C2=NC=CC=C2Cl)C1	REAL000000009008	1	37	-1.0	-41.35	320.06	2.52	-38.83
O=C(CCC1=NNN=N1)NC1CCN(C2=NC=CC=C2Cl)C1	REAL000000009008	1	38	0.0	-11.84	323.02	2.52	-9.32
O=C(NC1CCN(C2=NC=CC=C2Cl)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009009	0	44	0.0	-16.24	370.14	6.17	-10.07
O=C(NC1CCN(C2=NC=CC=C2Cl)C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009010	0	41	0.0	-10.66	355.21	3.09	-7.57
COC(=O)C1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL000000009011	0	38	-1.0	-50.69	333.95	4.11	-46.58
COC(=O)C1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL000000009011	1	38	-1.0	-50.68	333.90	4.11	-46.57
COC(=O)C1=CC=CC(CNC(=O)CCCC2=NNN=N2)=C1	REAL000000009011	1	39	0.0	-17.16	337.34	4.12	-13.03
COC(=O)C1=CC=CC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009012	0	42	0.0	-18.92	362.49	6.97	-11.95
COC(=O)C1=CC=CC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000009013	0	39	0.0	-12.90	347.93	3.91	-8.99
CC1=NC(N2CCOCC2)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000009014	0	44	-1.0	-48.83	352.92	2.42	-46.41
CC1=NC(N2CCOCC2)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000009014	1	44	-1.0	-48.82	352.86	2.42	-46.40
CC1=NC(N2CCOCC2)=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000009014	1	45	0.0	-16.80	356.31	2.42	-14.37
CC1=NC(N2CCOCC2)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL000000009015	0	41	-1.0	-40.60	331.43	1.63	-38.97
CC1=NC(N2CCOCC2)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL000000009015	1	41	-1.0	-40.60	331.37	1.63	-38.96
CC1=NC(N2CCOCC2)=CC=C1NC(=O)CCC1=NNN=N1	REAL000000009015	1	42	0.0	-12.80	334.78	1.64	-11.15
CC1=NC(N2CCOCC2)=CC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009016	0	48	0.0	-17.55	382.75	5.34	-12.22
CC1=NC(N2CCOCC2)=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009017	0	45	0.0	-10.97	366.88	2.21	-8.76
CC1=CC(F)=CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009018	0	36	0.0	-18.27	310.06	6.92	-11.34
CC(C)C1CCC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000009019	0	51	0.0	-15.06	379.04	8.20	-6.86
CC(C)C1CCC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000009020	0	48	0.0	-7.76	371.11	5.42	-2.34
COC(=O)C1=CC=CC(NC2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=C1	REAL000000009021	0	50	-1.0	-52.07	404.41	6.13	-45.94
COC(=O)C1=CC=CC(NC2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=C1	REAL000000009021	1	50	-1.0	-52.05	404.35	6.12	-45.93
COC(=O)C1=CC=CC(NC2CCN(C(=O)CCCC3=NNN=N3)CC2)=C1	REAL000000009021	1	51	0.0	-19.24	407.79	6.14	-13.10
COC(=O)C1=CC=CC(NC2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=C1	REAL000000009022	0	47	-1.0	-44.15	382.91	5.34	-38.81
COC(=O)C1=CC=CC(NC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=C1	REAL000000009022	1	47	-1.0	-44.15	382.85	5.34	-38.81
COC(=O)C1=CC=CC(NC2CCN(C(=O)CCC3=NNN=N3)CC2)=C1	REAL000000009022	1	48	0.0	-15.14	386.30	5.35	-9.79
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1N1N=NN=C1C1CC1	REAL000000009023	0	45	-1.0	-51.72	383.29	4.40	-47.32
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1N1N=NN=C1C1CC1	REAL000000009023	1	45	-1.0	-51.70	383.23	4.40	-47.30
COC1=CC=C(NC(=O)CCCC2=NNN=N2)C=C1N1N=NN=C1C1CC1	REAL000000009023	1	46	0.0	-22.06	386.70	4.42	-17.64
COC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1N1N=NN=C1C1CC1	REAL000000009024	0	42	-1.0	-43.69	362.20	3.62	-40.08
COC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1N1N=NN=C1C1CC1	REAL000000009024	1	42	-1.0	-43.69	362.14	3.61	-40.09
COC1=CC=C(NC(=O)CCC2=NNN=N2)C=C1N1N=NN=C1C1CC1	REAL000000009024	1	43	0.0	-18.44	365.61	3.63	-14.81
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(N2CCOCC2)=C1	REAL000000009025	0	48	-1.0	-47.59	387.18	3.57	-44.02
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(N2CCOCC2)=C1	REAL000000009025	1	48	-1.0	-47.58	387.12	3.56	-44.02
CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(N2CCOCC2)=C1	REAL000000009025	1	49	0.0	-14.05	390.55	3.58	-10.47
CC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C(N2CCOCC2)=C1	REAL000000009026	0	45	-1.0	-40.17	365.68	2.79	-37.38
CC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C(N2CCOCC2)=C1	REAL000000009026	1	45	-1.0	-40.17	365.62	2.78	-37.39
CC1=CC=C(CNC(=O)CCC2=NNN=N2)C(N2CCOCC2)=C1	REAL000000009026	1	46	0.0	-10.18	369.06	2.80	-7.38
CC1=CC=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(N2CCOCC2)=C1	REAL000000009027	0	52	0.0	-15.73	416.10	6.39	-9.34
CC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(N2CCOCC2)=C1	REAL000000009028	0	49	0.0	-9.45	401.15	3.36	-6.09
CC(C)CC1CCCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009029	0	48	0.0	-11.73	353.56	8.44	-3.29
CC(C)CC1CCCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009030	0	45	0.0	-7.88	339.92	6.34	-1.54
O=C(NCCN1C=C([N+](=O)[O-])C=N1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009031	0	38	0.0	-25.49	340.73	5.00	-20.48
O=C(NCCN1C=C([N+](=O)[O-])C=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009032	0	35	0.0	-17.31	325.79	1.97	-15.33
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C2C(=C1)CCS2(=O)=O	REAL000000009033	0	39	-1.0	-56.08	343.58	1.34	-54.74
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C2C(=C1)CCS2(=O)=O	REAL000000009033	1	39	-1.0	-56.07	343.52	1.33	-54.73
O=C(CCCC1=NNN=N1)NCC1=CC=C2C(=C1)CCS2(=O)=O	REAL000000009033	1	40	0.0	-23.91	346.96	1.35	-22.55
O=C(CCC1=NN=N[N-]1)NCC1=CC=C2C(=C1)CCS2(=O)=O	REAL000000009034	0	36	-1.0	-48.95	322.08	0.56	-48.38
O=C(CCC1=N[N-]N=N1)NCC1=CC=C2C(=C1)CCS2(=O)=O	REAL000000009034	1	36	-1.0	-48.94	322.02	0.55	-48.39
O=C(CCC1=NNN=N1)NCC1=CC=C2C(=C1)CCS2(=O)=O	REAL000000009034	1	37	0.0	-20.11	325.46	0.56	-19.55
O=C(NCC1=CC=C2C(=C1)CCS2(=O)=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009035	0	43	0.0	-25.02	372.11	4.20	-20.81
O=C(NCC1=CC=C2C(=C1)CCS2(=O)=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009036	0	40	0.0	-19.22	357.55	1.14	-18.08
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(OC(F)(F)C(F)(F)F)C=C1	REAL000000009037	0	36	-1.0	-46.23	333.18	4.22	-42.00
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(OC(F)(F)C(F)(F)F)C=C1	REAL000000009037	1	36	-1.0	-46.22	333.13	4.22	-42.01
O=C(CCCC1=NNN=N1)NC1=CC=C(OC(F)(F)C(F)(F)F)C=C1	REAL000000009037	1	37	0.0	-14.05	336.83	4.22	-9.83
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OC(F)(F)C(F)(F)F)C=C1	REAL000000009038	0	33	-1.0	-38.02	311.69	3.44	-34.58
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OC(F)(F)C(F)(F)F)C=C1	REAL000000009038	1	33	-1.0	-38.01	311.63	3.43	-34.58
O=C(CCC1=NNN=N1)NC1=CC=C(OC(F)(F)C(F)(F)F)C=C1	REAL000000009038	1	34	0.0	-10.06	315.06	3.45	-6.61
C[N@@H+]1CCC2C(CCCN2C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000009039	0	49	1.0	-41.30	359.73	8.20	-33.10
C[N@H+]1CCC2C(CCCN2C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000009039	1	49	1.0	-40.73	358.89	8.17	-32.56
C[N@@H+]1CCC2C(CCCN2C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000009040	0	46	1.0	-38.78	343.00	6.01	-32.78
C[N@H+]1CCC2C(CCCN2C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000009040	1	46	1.0	-40.21	335.91	5.52	-34.69
O=C(CCCC1=NN=N[N-]1)NCC(CO)CC1=CC=CC=C1C(F)(F)F	REAL000000009041	0	45	-1.0	-50.17	373.07	3.50	-46.67
O=C(CCCC1=N[N-]N=N1)NCC(CO)CC1=CC=CC=C1C(F)(F)F	REAL000000009041	1	45	-1.0	-50.16	373.01	3.50	-46.66
O=C(CCCC1=NNN=N1)NCC(CO)CC1=CC=CC=C1C(F)(F)F	REAL000000009041	1	46	0.0	-15.87	376.44	3.51	-12.36
O=C(CCC1=NN=N[N-]1)NCC(CO)CC1=CC=CC=C1C(F)(F)F	REAL000000009042	0	42	-1.0	-43.65	351.56	2.72	-40.93
O=C(CCC1=N[N-]N=N1)NCC(CO)CC1=CC=CC=C1C(F)(F)F	REAL000000009042	1	42	-1.0	-43.64	351.51	2.72	-40.92
O=C(CCC1=NNN=N1)NCC(CO)CC1=CC=CC=C1C(F)(F)F	REAL000000009042	1	43	0.0	-12.05	353.96	2.51	-9.54
O=C(CCCC1=NN=N[N-]1)N(CCCO)CC1=CC=CC=C1	REAL000000009043	0	42	-1.0	-50.95	349.21	3.95	-47.00
O=C(CCCC1=N[N-]N=N1)N(CCCO)CC1=CC=CC=C1	REAL000000009043	1	42	-1.0	-50.94	349.15	3.95	-46.99
O=C(CCCC1=NNN=N1)N(CCCO)CC1=CC=CC=C1	REAL000000009043	1	43	0.0	-16.74	346.83	3.74	-13.00
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N(CCCO)CC1=CC=CC=C1	REAL000000009044	0	46	0.0	-18.08	375.46	6.31	-11.77
O=C(C1=CC=C(C2=NNN=N2)C=N1)N(CCCO)CC1=CC=CC=C1	REAL000000009045	0	43	0.0	-12.40	354.73	4.50	-7.90
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CN(C)CCO1	REAL000000009046	0	45	0.0	-13.73	355.83	3.07	-10.66
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1C[N@H+](C)CCO1	REAL000000009046	1	46	1.0	-50.79	351.85	5.05	-45.75
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1C[N@@H+](C)CCO1	REAL000000009046	1	46	1.0	-50.20	359.10	5.45	-44.75
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CN(C)CCO1	REAL000000009047	0	42	0.0	-8.41	340.09	-0.44	-8.85
CC1(C)CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C2=CC=CC=C21	REAL000000009048	0	46	0.0	-16.61	367.71	8.77	-7.84
CC1(C)CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C2=CC=CC=C21	REAL000000009049	0	43	0.0	-9.57	352.71	5.70	-3.87
O=C(CCCC1=NN=N[N-]1)NCC(=O)OCC1=CC=CC=C1	REAL000000009050	0	38	-1.0	-46.15	334.33	4.55	-41.60
O=C(CCCC1=N[N-]N=N1)NCC(=O)OCC1=CC=CC=C1	REAL000000009050	1	38	-1.0	-46.14	334.27	4.55	-41.59
O=C(CCCC1=NNN=N1)NCC(=O)OCC1=CC=CC=C1	REAL000000009050	1	39	0.0	-13.63	337.71	4.56	-9.08
O=C(CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)OCC1=CC=CC=C1	REAL000000009051	0	42	0.0	-14.55	362.86	7.41	-7.13
O=C(CNC(=O)C1=CC=C(C2=NNN=N2)C=N1)OCC1=CC=CC=C1	REAL000000009052	0	39	0.0	-10.28	348.31	4.34	-5.94
COC1=CC=C(N(C)C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1F	REAL000000009053	0	40	0.0	-23.02	326.90	6.47	-16.55
COC1=CC=C(N(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1F	REAL000000009054	0	37	0.0	-10.49	311.94	4.50	-6.00
COC1=CC=C(N(C)C(=O)CCCC2=NN=N[N-]2)C=C1Cl	REAL000000009055	0	36	-1.0	-48.36	320.76	4.97	-43.39
COC1=CC=C(N(C)C(=O)CCCC2=N[N-]N=N2)C=C1Cl	REAL000000009055	1	36	-1.0	-48.35	320.70	4.97	-43.38
COC1=CC=C(N(C)C(=O)CCCC2=NNN=N2)C=C1Cl	REAL000000009055	1	37	0.0	-16.07	324.14	4.98	-11.10
COC1=CC=C(N(C)C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1Cl	REAL000000009056	0	40	0.0	-21.01	336.75	6.95	-14.05
COC1=CC=C(N(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1Cl	REAL000000009057	0	37	0.0	-9.77	321.74	4.97	-4.80
O=C(CCCC1=NN=N[N-]1)NC1C2CCC(C2)C1C(=O)OCC1=CC=CC=C1	REAL000000009058	0	52	-1.0	-51.45	418.44	8.71	-42.74
O=C(CCCC1=N[N-]N=N1)NC1C2CCC(C2)C1C(=O)OCC1=CC=CC=C1	REAL000000009058	1	52	-1.0	-51.44	418.39	8.71	-42.72
O=C(CCCC1=NNN=N1)NC1C2CCC(C2)C1C(=O)OCC1=CC=CC=C1	REAL000000009058	1	53	0.0	-18.17	421.82	8.72	-9.45
O=C(CCC1=NN=N[N-]1)NC1C2CCC(C2)C1C(=O)OCC1=CC=CC=C1	REAL000000009059	0	49	-1.0	-46.62	395.94	7.29	-39.34
O=C(CCC1=N[N-]N=N1)NC1C2CCC(C2)C1C(=O)OCC1=CC=CC=C1	REAL000000009059	1	49	-1.0	-46.62	395.89	7.28	-39.35
O=C(CCC1=NNN=N1)NC1C2CCC(C2)C1C(=O)OCC1=CC=CC=C1	REAL000000009059	1	50	0.0	-10.30	388.66	8.31	-2.00
COC1=CC=CC=C1CSC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000009060	0	47	-1.0	-48.84	399.98	7.77	-41.07
COC1=CC=CC=C1CSC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000009060	1	47	-1.0	-48.83	399.93	7.76	-41.07
COC1=CC=CC=C1CSC1=CC=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000009060	1	48	0.0	-15.17	404.26	7.80	-7.37
COC1=CC=CC=C1CSC1=CC=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL000000009061	0	44	-1.0	-42.43	378.48	6.99	-35.44
COC1=CC=CC=C1CSC1=CC=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL000000009061	1	44	-1.0	-42.43	378.43	6.98	-35.45
COC1=CC=CC=C1CSC1=CC=CC=C1NC(=O)CCC1=NNN=N1	REAL000000009061	1	45	0.0	-11.66	382.77	7.02	-4.64
CC1=COC(C2=CC=C(C)C(NC(=O)CCCC3=NN=N[N-]3)=C2)=N1	REAL000000009062	0	41	-1.0	-54.74	348.86	3.34	-51.40
CC1=COC(C2=CC=C(C)C(NC(=O)CCCC3=N[N-]N=N3)=C2)=N1	REAL000000009062	1	41	-1.0	-54.73	348.80	3.34	-51.39
CC1=COC(C2=CC=C(C)C(NC(=O)CCCC3=NNN=N3)=C2)=N1	REAL000000009062	1	42	0.0	-21.01	352.24	3.35	-17.66
CC1=COC(C2=CC=C(C)C(NC(=O)CCC3=NN=N[N-]3)=C2)=N1	REAL000000009063	0	38	-1.0	-45.66	327.38	2.56	-43.10
CC1=COC(C2=CC=C(C)C(NC(=O)CCC3=N[N-]N=N3)=C2)=N1	REAL000000009063	1	38	-1.0	-45.66	327.32	2.55	-43.11
CC1=COC(C2=CC=C(C)C(NC(=O)CCC3=NNN=N3)=C2)=N1	REAL000000009063	1	39	0.0	-16.36	330.77	2.57	-13.79
CC1=COC(C2=CC=C(C)C(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=C2)=N1	REAL000000009064	0	45	0.0	-22.41	378.01	6.21	-16.20
CC1=COC(C2=CC=C(C)C(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=C2)=N1	REAL000000009065	0	42	0.0	-14.77	362.82	3.13	-11.64
COC1=CC=CC2=C1CCC2NC(=O)CCCC1=NN=N[N-]1	REAL000000009066	0	40	-1.0	-49.40	331.48	4.04	-45.36
COC1=CC=CC2=C1CCC2NC(=O)CCCC1=N[N-]N=N1	REAL000000009066	1	40	-1.0	-49.39	331.42	4.05	-45.35
COC1=CC=CC2=C1CCC2NC(=O)CCCC1=NNN=N1	REAL000000009066	1	41	0.0	-15.35	335.24	4.08	-11.28
COC1=CC=CC2=C1CCC2NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009067	0	44	0.0	-17.23	360.01	6.91	-10.32
COC1=CC=CC2=C1CCC2NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009068	0	41	0.0	-10.67	345.79	3.85	-6.82
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(OCC2CC2)C(F)=C1	REAL000000009069	0	46	-1.0	-47.94	385.90	6.25	-41.69
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(OCC2CC2)C(F)=C1	REAL000000009069	1	46	-1.0	-47.92	385.84	6.25	-41.68
CC(NC(=O)CCCC1=NNN=N1)C1=CC=C(OCC2CC2)C(F)=C1	REAL000000009069	1	47	0.0	-17.86	389.25	6.26	-11.60
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(OCC2CC2)C(F)=C1	REAL000000009070	0	43	-1.0	-41.77	364.40	5.47	-36.30
CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(OCC2CC2)C(F)=C1	REAL000000009070	1	43	-1.0	-41.76	364.34	5.46	-36.30
CC(NC(=O)CCC1=NNN=N1)C1=CC=C(OCC2CC2)C(F)=C1	REAL000000009070	1	44	0.0	-13.66	367.79	5.47	-8.19
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=C(OCC2CC2)C(F)=C1	REAL000000009071	0	50	0.0	-19.16	414.40	9.11	-10.05
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=C(OCC2CC2)C(F)=C1	REAL000000009072	0	47	0.0	-11.23	399.84	6.04	-5.19
O=C(CCCC1=NN=N[N-]1)N1CCC(OCC2=CC=CC=N2)C1	REAL000000009073	0	42	-1.0	-51.19	350.18	4.23	-46.96
O=C(CCCC1=N[N-]N=N1)N1CCC(OCC2=CC=CC=N2)C1	REAL000000009073	1	42	-1.0	-51.17	350.13	4.22	-46.95
O=C(CCCC1=NNN=N1)N1CCC(OCC2=CC=CC=N2)C1	REAL000000009073	1	43	0.0	-17.10	354.47	4.25	-12.84
O=C(CCC1=NN=N[N-]1)N1CCC(OCC2=CC=CC=N2)C1	REAL000000009074	0	39	-1.0	-42.09	329.59	3.46	-38.62
O=C(CCC1=N[N-]N=N1)N1CCC(OCC2=CC=CC=N2)C1	REAL000000009074	1	39	-1.0	-42.08	329.53	3.45	-38.63
O=C(CCC1=NNN=N1)N1CCC(OCC2=CC=CC=N2)C1	REAL000000009074	1	40	0.0	-12.74	333.00	3.47	-9.27
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC(OCC2=CC=CC=N2)C1	REAL000000009075	0	46	0.0	-15.35	373.97	6.59	-8.76
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC(OCC2=CC=CC=N2)C1	REAL000000009076	0	43	0.0	-12.39	361.41	4.40	-7.99
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(Br)C=C1N1CCOCC1	REAL000000009077	0	42	-1.0	-39.36	365.57	2.73	-36.62
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(Br)C=C1N1CCOCC1	REAL000000009077	1	42	-1.0	-39.35	365.52	2.73	-36.63
O=C(CCC1=NNN=N1)NCC1=CC=C(Br)C=C1N1CCOCC1	REAL000000009077	1	43	0.0	-10.29	368.95	2.74	-7.54
CN(CC1=CC=CC(Cl)=C1Cl)C(=O)CCCC1=NN=N[N-]1	REAL000000009078	0	35	-1.0	-44.04	318.78	6.24	-37.80
CN(CC1=CC=CC(Cl)=C1Cl)C(=O)CCCC1=N[N-]N=N1	REAL000000009078	1	35	-1.0	-44.04	318.72	6.23	-37.81
CN(CC1=CC=CC(Cl)=C1Cl)C(=O)CCCC1=NNN=N1	REAL000000009078	1	36	0.0	-11.51	322.89	6.24	-5.27
CN(CC1=CC=CC(Cl)=C1Cl)C(=O)CCC1=NN=N[N-]1	REAL000000009079	0	32	-1.0	-37.85	297.27	5.46	-32.39
CN(CC1=CC=CC(Cl)=C1Cl)C(=O)CCC1=N[N-]N=N1	REAL000000009079	1	32	-1.0	-37.84	297.20	5.45	-32.40
CN(CC1=CC=CC(Cl)=C1Cl)C(=O)CCC1=NNN=N1	REAL000000009079	1	33	0.0	-8.19	300.64	5.47	-2.73
CN(CC1=CC=CC(Cl)=C1Cl)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009080	0	39	0.0	-18.72	344.23	8.80	-9.92
CN(CC1=CC=CC(Cl)=C1Cl)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009081	0	36	0.0	-8.30	331.35	6.64	-1.67
CC(C)(NC(=O)CCCC1=NN=N[N-]1)C(=O)NCC1CCCCC1	REAL000000009082	0	51	-1.0	-47.40	392.06	3.91	-43.49
CC(C)(NC(=O)CCCC1=N[N-]N=N1)C(=O)NCC1CCCCC1	REAL000000009082	1	51	-1.0	-47.38	392.00	3.91	-43.47
CC(C)(NC(=O)CCCC1=NNN=N1)C(=O)NCC1CCCCC1	REAL000000009082	1	52	0.0	-15.87	395.44	3.92	-11.95
CC(C)(NC(=O)CCC1=NN=N[N-]1)C(=O)NCC1CCCCC1	REAL000000009083	0	48	-1.0	-39.18	370.57	3.13	-36.05
CC(C)(NC(=O)CCC1=N[N-]N=N1)C(=O)NCC1CCCCC1	REAL000000009083	1	48	-1.0	-39.18	370.51	3.14	-36.04
CC(C)(NC(=O)CCC1=NNN=N1)C(=O)NCC1CCCCC1	REAL000000009083	1	49	0.0	-12.09	373.96	3.15	-8.95
CC(C)(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(=O)NCC1CCCCC1	REAL000000009084	0	55	0.0	-16.58	420.59	6.77	-9.81
CC(C)(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(=O)NCC1CCCCC1	REAL000000009085	0	52	0.0	-10.00	406.03	3.71	-6.29
O=C(CCCC1=NN=N[N-]1)NC(CO)C(O)C1=CC=C([N+](=O)[O-])C=C1	REAL000000009086	0	42	-1.0	-52.81	364.71	-0.43	-53.24
O=C(CCCC1=N[N-]N=N1)NC(CO)C(O)C1=CC=C([N+](=O)[O-])C=C1	REAL000000009086	1	42	-1.0	-52.80	364.66	-0.44	-53.23
O=C(CCCC1=NNN=N1)NC(CO)C(O)C1=CC=C([N+](=O)[O-])C=C1	REAL000000009086	1	43	0.0	-20.23	361.31	1.49	-18.74
O=C(CCC1=NN=N[N-]1)NC(CO)C(O)C1=CC=C([N+](=O)[O-])C=C1	REAL000000009087	0	39	-1.0	-46.23	336.32	0.71	-45.52
O=C(CCC1=N[N-]N=N1)NC(CO)C(O)C1=CC=C([N+](=O)[O-])C=C1	REAL000000009087	1	39	-1.0	-46.22	336.26	0.70	-45.52
O=C(CCC1=NNN=N1)NC(CO)C(O)C1=CC=C([N+](=O)[O-])C=C1	REAL000000009087	1	40	0.0	-16.96	346.59	-1.21	-18.17
O=C(NC(CO)C(O)C1=CC=C([N+](=O)[O-])C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009088	0	43	0.0	-15.64	379.36	-0.68	-16.32
O=C(NC1CCCCC1O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009089	0	40	0.0	-15.49	318.24	2.94	-12.55
O=C(NC1C2=CC=CC=C2CC1O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009090	0	41	0.0	-17.90	338.87	4.52	-13.38
O=C(NC1C2=CC=CC=C2CC1O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009091	0	38	0.0	-13.16	327.25	1.15	-12.01
O=C(NCC(O)C[NH+]1CCCCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009092	0	49	1.0	-48.21	378.46	4.09	-44.13
O=C(NCC(O)C[NH+]1CCCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009093	0	46	1.0	-42.55	364.10	1.05	-41.50
O=C(N[C@H]1C2=CC=CC=C2C[C@H]1O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009094	0	41	0.0	-17.94	339.26	4.49	-13.45
O=C(N[C@H]1C2=CC=CC=C2C[C@H]1O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009095	0	38	0.0	-12.06	324.31	1.46	-10.60
O=C(N[C@@H]1C2=CC=CC=C2C[C@@H]1O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009096	0	41	0.0	-18.19	340.18	4.59	-13.60
O=C(N[C@@H]1C2=CC=CC=C2C[C@@H]1O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009097	0	38	0.0	-11.65	325.60	1.53	-10.12
O=C(CCCC1=NN=N[N-]1)NCCCC[N@H+]1CCCC1CO	REAL000000009098	0	48	0.0	-70.13	373.71	1.97	-68.17
O=C(CCCC1=NN=N[N-]1)NCCCC[N@@H+]1CCCC1CO	REAL000000009098	1	48	0.0	-69.87	373.81	2.02	-67.85
O=C(CCCC1=N[N-]N=N1)NCCCC[N@H+]1CCCC1CO	REAL000000009098	1	48	0.0	-70.12	373.65	1.97	-68.15
O=C(CCCC1=N[N-]N=N1)NCCCC[N@@H+]1CCCC1CO	REAL000000009098	1	48	0.0	-69.85	373.75	2.02	-67.84
O=C(CCCC1=NNN=N1)NCCCC[N@H+]1CCCC1CO	REAL000000009098	1	49	1.0	-48.39	373.65	1.49	-46.91
O=C(CCCC1=NNN=N1)NCCCC[N@@H+]1CCCC1CO	REAL000000009098	1	49	1.0	-45.66	377.19	2.03	-43.63
O=C(NCCCC[N@H+]1CCCC1CO)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009099	0	52	1.0	-50.30	399.20	4.31	-45.99
O=C(NCCCC[N@@H+]1CCCC1CO)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009099	1	52	1.0	-47.53	402.34	4.88	-42.65
O=C(NCCCC[N@H+]1CCCC1CO)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009100	0	49	1.0	-43.50	384.25	1.27	-42.23
O=C(NCCCC[N@@H+]1CCCC1CO)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009100	1	49	1.0	-40.86	387.63	1.76	-39.10
CC(NC(=O)CCCC1=NN=N[N-]1)C(O)C1=CC=C(F)C=C1	REAL000000009101	0	39	-1.0	-48.48	325.92	1.98	-46.50
CC(NC(=O)CCCC1=N[N-]N=N1)C(O)C1=CC=C(F)C=C1	REAL000000009101	1	39	-1.0	-48.46	325.86	1.97	-46.49
CC(NC(=O)CCCC1=NNN=N1)C(O)C1=CC=C(F)C=C1	REAL000000009101	1	40	0.0	-15.54	330.02	2.04	-13.50
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(O)C1=CC=C(F)C=C1	REAL000000009102	0	43	0.0	-17.12	354.45	4.84	-12.28
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(O)C1=CC=C(F)C=C1	REAL000000009103	0	40	0.0	-10.96	339.89	1.78	-9.19
CC1=NN=C(C2CCCN2C(=O)C2=CC=CC(NC3=NNN=N3)=C2)O1	REAL000000009104	0	41	0.0	-22.91	339.79	1.79	-21.12
CC1=NN=C(C2CCCN2C(=O)C2=CC=C(C3=NNN=N3)C=N2)O1	REAL000000009105	0	38	0.0	-16.94	324.74	-0.31	-17.25
CN(CC1=CC(Cl)=CN1C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009106	0	40	0.0	-10.43	339.10	8.01	-2.42
CN(CC1=CC(Cl)=CN1C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009107	0	37	0.0	-8.91	322.31	5.89	-3.02
NC(=O)COCCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009108	0	37	0.0	-24.92	319.95	0.60	-24.33
COC1=CC=C(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C=C1	REAL000000009109	0	45	-1.0	-48.54	354.94	3.89	-44.66
COC1=CC=C(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL000000009109	1	45	-1.0	-48.53	354.89	3.88	-44.65
COC1=CC=C(N2CCN(C(=O)CCCC3=NNN=N3)CC2)C=C1	REAL000000009109	1	46	0.0	-15.98	358.32	3.90	-12.08
COC1=CC=C(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL000000009110	0	42	-1.0	-40.49	333.42	3.09	-37.40
COC1=CC=C(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL000000009110	1	42	-1.0	-40.49	333.36	3.09	-37.40
COC1=CC=C(N2CCN(C(=O)CCC3=NNN=N3)CC2)C=C1	REAL000000009110	1	43	0.0	-11.61	336.82	3.11	-8.51
COC1=CC=C(N2CCN(C(=O)C3=CC=CC(NC4=NNN=N4)=C3)CC2)C=C1	REAL000000009111	0	49	0.0	-17.61	381.09	6.36	-11.25
COC1=CC=C(N2CCN(C(=O)C3=CC=C(C4=NNN=N4)C=N3)CC2)C=C1	REAL000000009112	0	46	0.0	-11.02	366.31	4.09	-6.93
O=C(NCC(O)C1=CC=CC=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009113	0	40	0.0	-16.18	336.64	4.03	-12.15
O=C(NCC(O)C1=CC=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009114	0	37	0.0	-10.12	322.06	0.97	-9.15
CC1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1O	REAL000000009115	0	37	0.0	-19.47	313.33	4.09	-15.38
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CC=C2C=CC=CC2=C1	REAL000000009116	0	42	-1.0	-49.31	354.10	3.41	-45.90
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CC=C2C=CC=CC2=C1	REAL000000009116	1	42	-1.0	-49.30	354.04	3.41	-45.89
O=C(CCCC1=NNN=N1)NCC(O)C1=CC=C2C=CC=CC2=C1	REAL000000009116	1	43	0.0	-16.27	357.48	3.42	-12.85
O=C(CCC1=NN=N[N-]1)NCC(O)C1=CC=C2C=CC=CC2=C1	REAL000000009117	0	39	-1.0	-42.12	332.61	2.63	-39.50
O=C(CCC1=N[N-]N=N1)NCC(O)C1=CC=C2C=CC=CC2=C1	REAL000000009117	1	39	-1.0	-42.11	332.55	2.63	-39.48
O=C(CCC1=NNN=N1)NCC(O)C1=CC=C2C=CC=CC2=C1	REAL000000009117	1	40	0.0	-12.59	336.47	2.55	-10.05
O=C(NCC(O)C1=CC=C2C=CC=CC2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009118	0	46	0.0	-17.83	382.64	6.28	-11.55
O=C(NCC(O)C1=CC=C2C=CC=CC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009119	0	43	0.0	-11.76	368.56	3.12	-8.64
O=C(CCCC1=NN=N[N-]1)NCC(O)C[N@@H+]1CCC2=CC=CC=C2C1	REAL000000009120	0	49	0.0	-74.49	388.19	3.37	-71.12
O=C(CCCC1=NN=N[N-]1)NCC(O)C[N@H+]1CCC2=CC=CC=C2C1	REAL000000009120	1	49	0.0	-74.39	387.87	3.43	-70.96
O=C(CCCC1=N[N-]N=N1)NCC(O)C[N@@H+]1CCC2=CC=CC=C2C1	REAL000000009120	1	49	0.0	-74.47	388.14	3.37	-71.10
O=C(CCCC1=N[N-]N=N1)NCC(O)C[N@H+]1CCC2=CC=CC=C2C1	REAL000000009120	1	49	0.0	-74.38	387.82	3.42	-70.96
O=C(CCC1=NN=N[N-]1)NCC(O)C[N@@H+]1CCC2=CC=CC=C2C1	REAL000000009121	0	46	0.0	-67.15	366.70	2.60	-64.56
O=C(CCC1=NN=N[N-]1)NCC(O)C[N@H+]1CCC2=CC=CC=C2C1	REAL000000009121	1	46	0.0	-67.09	366.38	2.65	-64.44
O=C(CCC1=N[N-]N=N1)NCC(O)C[N@@H+]1CCC2=CC=CC=C2C1	REAL000000009121	1	46	0.0	-67.14	366.64	2.59	-64.55
O=C(CCC1=N[N-]N=N1)NCC(O)C[N@H+]1CCC2=CC=CC=C2C1	REAL000000009121	1	46	0.0	-67.08	366.32	2.64	-64.44
O=C(NCC(O)C[N@@H+]1CCC2=CC=CC=C2C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009122	0	53	1.0	-53.77	417.02	6.20	-47.57
O=C(NCC(O)C[N@H+]1CCC2=CC=CC=C2C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009122	1	53	1.0	-53.85	417.24	6.18	-47.67
O=C(NCC(O)C[N@@H+]1CCC2=CC=CC=C2C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009123	0	50	1.0	-48.33	402.07	3.17	-45.16
O=C(NCC(O)C[N@H+]1CCC2=CC=CC=C2C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009123	1	50	1.0	-48.38	402.30	3.15	-45.23
O=C(CCCC1=NN=N[N-]1)NCC(O)COCC1=CC=CC=C1	REAL000000009124	0	43	-1.0	-48.51	367.08	1.23	-47.28
O=C(CCCC1=N[N-]N=N1)NCC(O)COCC1=CC=CC=C1	REAL000000009124	1	43	-1.0	-48.50	367.02	1.22	-47.28
O=C(CCCC1=NNN=N1)NCC(O)COCC1=CC=CC=C1	REAL000000009124	1	44	0.0	-15.64	370.46	1.24	-14.40
O=C(CCC1=NN=N[N-]1)NCC(O)COCC1=CC=CC=C1	REAL000000009125	0	40	-1.0	-42.22	345.58	0.44	-41.78
O=C(CCC1=N[N-]N=N1)NCC(O)COCC1=CC=CC=C1	REAL000000009125	1	40	-1.0	-42.21	345.53	0.44	-41.77
O=C(CCC1=NNN=N1)NCC(O)COCC1=CC=CC=C1	REAL000000009125	1	41	0.0	-12.21	348.67	0.51	-11.70
O=C(NCC(O)COCC1=CC=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009126	0	44	0.0	-11.85	380.76	1.08	-10.76
O=C(CCCC1=NN=N[N-]1)NCC(O)COC1=CC=CC(F)=C1	REAL000000009127	0	40	-1.0	-48.70	347.64	0.90	-47.80
O=C(CCCC1=N[N-]N=N1)NCC(O)COC1=CC=CC(F)=C1	REAL000000009127	1	40	-1.0	-48.69	347.58	0.90	-47.79
O=C(CCCC1=NNN=N1)NCC(O)COC1=CC=CC(F)=C1	REAL000000009127	1	41	0.0	-16.41	351.02	0.91	-15.50
O=C(CCC1=NN=N[N-]1)NCC(O)COC1=CC=CC(F)=C1	REAL000000009128	0	37	-1.0	-42.65	326.14	0.12	-42.53
O=C(CCC1=N[N-]N=N1)NCC(O)COC1=CC=CC(F)=C1	REAL000000009128	1	37	-1.0	-42.64	326.08	0.11	-42.53
O=C(CCC1=NNN=N1)NCC(O)COC1=CC=CC(F)=C1	REAL000000009128	1	38	0.0	-13.32	329.82	0.06	-13.26
O=C(NCC(O)COC1=CC=CC(F)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009129	0	44	0.0	-17.73	376.17	3.75	-13.98
O=C(NCC(O)COC1=CC=CC(F)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009130	0	41	0.0	-12.85	361.62	0.69	-12.16
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CC=CC=C1Cl	REAL000000009131	0	36	-1.0	-48.37	321.59	1.62	-46.75
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CC=CC=C1Cl	REAL000000009131	1	36	-1.0	-48.36	321.53	1.61	-46.75
O=C(CCCC1=NNN=N1)NCC(O)C1=CC=CC=C1Cl	REAL000000009131	1	37	0.0	-14.92	324.97	1.63	-13.29
O=C(NCC(O)C1=CC=CC=C1Cl)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009132	0	40	0.0	-16.68	350.82	4.38	-12.30
O=C(NCC(O)C1=CC=CC=C1Cl)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009133	0	37	0.0	-10.71	335.96	1.35	-9.37
O=C(NCC(O)C1=CC=C(F)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009134	0	40	0.0	-17.46	343.53	4.01	-13.44
O=C(NCC(O)C1=CC=C(F)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009135	0	37	0.0	-11.33	329.00	0.95	-10.39
O=C(NCC(O)C1=CC=CO1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009136	0	37	0.0	-17.09	320.33	2.20	-14.89
O=C(NCC(O)C1=CC=CO1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009137	0	34	0.0	-10.96	306.17	-1.05	-12.00
COC1=CC(OC)=CC(C(O)CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL000000009138	0	44	-1.0	-50.48	367.58	-0.29	-50.77
COC1=CC(OC)=CC(C(O)CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL000000009138	1	44	-1.0	-50.46	367.52	-0.29	-50.76
COC1=CC(OC)=CC(C(O)CNC(=O)CCCC2=NNN=N2)=C1	REAL000000009138	1	45	0.0	-17.13	370.97	-0.28	-17.41
COC1=CC(OC)=CC(C(O)CNC(=O)CCC2=NN=N[N-]2)=C1	REAL000000009139	0	41	-1.0	-43.27	346.08	-1.07	-44.34
COC1=CC(OC)=CC(C(O)CNC(=O)CCC2=N[N-]N=N2)=C1	REAL000000009139	1	41	-1.0	-43.27	346.03	-1.08	-44.35
COC1=CC(OC)=CC(C(O)CNC(=O)CCC2=NNN=N2)=C1	REAL000000009139	1	42	0.0	-13.26	348.98	-0.99	-14.25
COC1=CC(C(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CC(OC)=C1	REAL000000009140	0	48	0.0	-18.70	396.51	2.53	-16.17
COC1=CC(C(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC(OC)=C1	REAL000000009141	0	45	0.0	-12.49	381.56	-0.50	-12.99
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC2=C1OCCCO2	REAL000000009142	0	41	-1.0	-50.20	340.96	3.44	-46.76
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC2=C1OCCCO2	REAL000000009142	1	41	-1.0	-50.18	340.90	3.44	-46.74
O=C(CCCC1=NNN=N1)NCC1=CC=CC2=C1OCCCO2	REAL000000009142	1	42	0.0	-17.22	344.34	3.45	-13.77
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC2=C1OCCCO2	REAL000000009143	0	38	-1.0	-42.12	319.46	2.66	-39.46
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC2=C1OCCCO2	REAL000000009143	1	38	-1.0	-42.11	319.40	2.65	-39.47
O=C(CCC1=NNN=N1)NCC1=CC=CC2=C1OCCCO2	REAL000000009143	1	39	0.0	-11.96	322.87	2.67	-9.30
O=C(NCC1=CC=CC2=C1OCCCO2)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009144	0	45	0.0	-16.98	369.49	6.29	-10.68
O=C(NCC1=CC=CC2=C1OCCCO2)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009145	0	42	0.0	-12.13	354.95	3.23	-8.91
CC1=NC2=CC(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=CC=C2N1	REAL000000009146	0	39	0.0	-26.10	329.41	5.75	-20.35
CC1=NC2=CC=C(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)C=C2N1	REAL000000009146	1	39	0.0	-20.50	329.32	5.74	-14.76
CC1=NC2=CC(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=CC=C2N1	REAL000000009147	0	36	0.0	-13.52	315.11	2.66	-10.86
CC1=NC2=CC=C(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)C=C2N1	REAL000000009147	1	36	0.0	-14.35	315.02	2.67	-11.68
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2NC(C3CCCO3)=NC2=C1	REAL000000009148	0	43	-1.0	-52.42	357.93	3.03	-49.39
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2NC(C3CCCO3)=NC2=C1	REAL000000009148	1	43	-1.0	-52.40	357.87	3.02	-49.38
O=C(CCC1=NN=N[N-]1)NC1=CC=C2NC(C3CCCO3)=NC2=C1	REAL000000009149	0	40	-1.0	-45.19	336.43	2.25	-42.95
O=C(CCC1=N[N-]N=N1)NC1=CC=C2NC(C3CCCO3)=NC2=C1	REAL000000009149	1	40	-1.0	-45.19	336.38	2.24	-42.95
O=C(NC1=CC=C2NC(C3CCCO3)=NC2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009150	0	47	0.0	-20.43	386.85	5.84	-14.59
O=C(NC1=CC=C2N=C(C3CCCO3)NC2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009150	1	47	0.0	-22.40	386.74	5.84	-16.56
O=C(NC1=CC=C2NC(C3CCCO3)=NC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009151	0	44	0.0	-14.65	371.90	2.82	-11.83
O=C(NC1=CC=C2N=C(C3CCCO3)NC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009151	1	44	0.0	-15.34	371.80	2.81	-12.52
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(F)C=C1OC1CCCC1	REAL000000009152	0	43	-1.0	-45.12	353.07	5.77	-39.35
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(F)C=C1OC1CCCC1	REAL000000009152	1	43	-1.0	-45.11	353.01	5.78	-39.33
O=C(CCCC1=NNN=N1)NC1=CC=C(F)C=C1OC1CCCC1	REAL000000009152	1	44	0.0	-12.48	356.65	5.82	-6.65
O=C(CCC1=NN=N[N-]1)NC1=CC=C(F)C=C1OC1CCCC1	REAL000000009153	0	40	-1.0	-37.95	331.78	5.03	-32.92
O=C(CCC1=N[N-]N=N1)NC1=CC=C(F)C=C1OC1CCCC1	REAL000000009153	1	40	-1.0	-37.95	331.72	5.02	-32.93
O=C(CCC1=NNN=N1)NC1=CC=C(F)C=C1OC1CCCC1	REAL000000009153	1	41	0.0	-8.77	334.07	4.99	-3.78
O=C(NC1=CC=C(F)C=C1OC1CCCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009154	0	47	0.0	-13.63	381.94	8.63	-5.00
O=C(NC1=CC=C(F)C=C1OC1CCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009155	0	44	0.0	-8.04	367.07	5.57	-2.47
O=C(CCCC1=NN=N[N-]1)N1CCCCC1C1=CC=C(F)C=C1F	REAL000000009156	0	42	-1.0	-48.00	338.41	7.04	-40.96
O=C(CCCC1=N[N-]N=N1)N1CCCCC1C1=CC=C(F)C=C1F	REAL000000009156	1	42	-1.0	-47.99	338.35	7.04	-40.94
O=C(CCCC1=NNN=N1)N1CCCCC1C1=CC=C(F)C=C1F	REAL000000009156	1	43	0.0	-14.04	341.69	7.05	-6.99
O=C(CCC1=NN=N[N-]1)N1CCCCC1C1=CC=C(F)C=C1F	REAL000000009157	0	39	-1.0	-40.47	316.81	6.26	-34.21
O=C(CCC1=N[N-]N=N1)N1CCCCC1C1=CC=C(F)C=C1F	REAL000000009157	1	39	-1.0	-40.47	316.75	6.25	-34.22
O=C(CCC1=NNN=N1)N1CCCCC1C1=CC=C(F)C=C1F	REAL000000009157	1	40	0.0	-9.88	320.19	6.27	-3.61
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCCCC1C1=CC=C(F)C=C1F	REAL000000009158	0	46	0.0	-14.41	366.02	9.48	-4.93
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCCCC1C1=CC=C(F)C=C1F	REAL000000009159	0	43	0.0	-9.59	349.80	7.23	-2.36
CC1=CC=CC=C1C1=NC(CNC(=O)CCCC2=NN=N[N-]2)=NO1	REAL000000009160	0	40	-1.0	-48.21	345.56	2.49	-45.72
CC1=CC=CC=C1C1=NC(CNC(=O)CCCC2=N[N-]N=N2)=NO1	REAL000000009160	1	40	-1.0	-48.20	345.50	2.48	-45.72
CC1=CC=CC=C1C1=NC(CNC(=O)CCCC2=NNN=N2)=NO1	REAL000000009160	1	41	0.0	-14.86	348.93	2.50	-12.35
CC1=CC=CC=C1C1=NC(CNC(=O)CCC2=NN=N[N-]2)=NO1	REAL000000009161	0	37	-1.0	-41.57	324.06	1.70	-39.87
CC1=CC=CC=C1C1=NC(CNC(=O)CCC2=N[N-]N=N2)=NO1	REAL000000009161	1	37	-1.0	-41.56	324.00	1.70	-39.86
CC1=CC=CC=C1C1=NC(CNC(=O)CCC2=NNN=N2)=NO1	REAL000000009161	1	38	0.0	-11.31	327.44	1.71	-9.59
CC1=CC=CC=C1C1=NC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=NO1	REAL000000009162	0	44	0.0	-15.99	374.11	5.35	-10.64
CC1=CC=CC=C1C1=NC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=NO1	REAL000000009163	0	41	0.0	-10.88	359.55	2.28	-8.59
CC1=CC=NC(OC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)=N1	REAL000000009164	0	41	-1.0	-54.34	355.67	2.43	-51.92
CC1=CC=NC(OC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)=N1	REAL000000009164	1	41	-1.0	-54.33	355.61	2.42	-51.91
CC1=CC=NC(OC2=CC=C(NC(=O)CCCC3=NNN=N3)C=C2)=N1	REAL000000009164	1	42	0.0	-21.64	359.05	2.44	-19.20
CC1=CC=NC(OC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)=N1	REAL000000009165	0	38	-1.0	-46.05	334.51	1.56	-44.48
CC1=CC=NC(OC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)=N1	REAL000000009165	1	38	-1.0	-46.04	334.45	1.55	-44.48
CC1=CC=NC(OC2=CC=C(NC(=O)CCC3=NNN=N3)C=C2)=N1	REAL000000009165	1	39	0.0	-17.75	337.85	1.57	-16.17
CC1=CC=NC(OC2=CC=C(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)C=C2)=N1	REAL000000009166	0	45	0.0	-22.93	384.88	5.15	-17.77
CC(C)(C)OC(=O)N1CCC2=C(NC(=O)CCCC3=NN=N[N-]3)C=CC=C21	REAL000000009168	0	50	-1.0	-52.39	398.78	6.23	-46.16
CC(C)(C)OC(=O)N1CCC2=C(NC(=O)CCCC3=N[N-]N=N3)C=CC=C21	REAL000000009168	1	50	-1.0	-52.37	398.72	6.22	-46.15
CC(C)(C)OC(=O)N1CCC2=C(NC(=O)CCCC3=NNN=N3)C=CC=C21	REAL000000009168	1	51	0.0	-20.21	402.16	6.24	-13.97
CC(C)(C)OC(=O)N1CCC2=C(NC(=O)CCC3=NN=N[N-]3)C=CC=C21	REAL000000009169	0	47	-1.0	-43.16	378.15	5.45	-37.72
CC(C)(C)OC(=O)N1CCC2=C(NC(=O)CCC3=N[N-]N=N3)C=CC=C21	REAL000000009169	1	47	-1.0	-43.16	378.09	5.45	-37.71
CC(C)(C)OC(=O)N1CCC2=C(NC(=O)CCC3=NNN=N3)C=CC=C21	REAL000000009169	1	48	0.0	-15.71	381.53	5.46	-10.25
CC1C[N@@H+](C2CC2)CC1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009170	0	46	1.0	-43.90	362.48	7.22	-36.69
CC1C[N@H+](C2CC2)CC1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009170	1	46	1.0	-44.48	358.44	7.52	-36.96
CC1C[N@@H+](C2CC2)CC1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009171	0	43	1.0	-37.44	343.50	4.56	-32.88
CC1C[N@H+](C2CC2)CC1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009171	1	43	1.0	-37.51	343.52	4.50	-33.01
O=C(CCCC1=NN=N[N-]1)NC1COC2=C(Cl)C=CC=C21	REAL000000009172	0	34	-1.0	-46.09	309.61	3.19	-42.89
O=C(CCCC1=N[N-]N=N1)NC1COC2=C(Cl)C=CC=C21	REAL000000009172	1	34	-1.0	-46.08	309.55	3.20	-42.88
O=C(CCCC1=NNN=N1)NC1COC2=C(Cl)C=CC=C21	REAL000000009172	1	35	0.0	-15.66	312.98	3.20	-12.46
O=C(NC1COC2=C(Cl)C=CC=C21)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009173	0	38	0.0	-16.35	338.13	6.05	-10.30
O=C(NC1COC2=C(Cl)C=CC=C21)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009174	0	35	0.0	-10.10	323.58	2.99	-7.11
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(OCC2CCCO2)=C1	REAL000000009175	0	50	-1.0	-52.29	407.91	4.87	-47.42
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(OCC2CCCO2)=C1	REAL000000009175	1	50	-1.0	-52.28	407.86	4.87	-47.41
CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(OCC2CCCO2)=C1	REAL000000009175	1	51	0.0	-17.36	411.30	4.89	-12.47
CC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C(OCC2CCCO2)=C1	REAL000000009176	0	47	-1.0	-44.78	386.43	4.09	-40.69
CC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C(OCC2CCCO2)=C1	REAL000000009176	1	47	-1.0	-44.78	386.37	4.09	-40.68
CC1=CC=C(CNC(=O)CCC2=NNN=N2)C(OCC2CCCO2)=C1	REAL000000009176	1	48	0.0	-13.37	389.79	4.10	-9.27
CC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(OCC2CCCO2)=C1	REAL000000009177	0	51	0.0	-13.12	421.89	4.67	-8.45
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(OCCCC(C)C)=C1	REAL000000009178	0	54	-1.0	-47.97	432.90	7.31	-40.66
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(OCCCC(C)C)=C1	REAL000000009178	1	54	-1.0	-47.97	432.84	7.31	-40.65
CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(OCCCC(C)C)=C1	REAL000000009178	1	55	0.0	-13.73	436.28	7.32	-6.41
CC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C(OCCCC(C)C)=C1	REAL000000009179	0	51	-1.0	-40.97	411.41	6.53	-34.44
CC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C(OCCCC(C)C)=C1	REAL000000009179	1	51	-1.0	-40.97	411.35	6.53	-34.44
CC1=CC=C(CNC(=O)CCC2=NNN=N2)C(OCCCC(C)C)=C1	REAL000000009179	1	52	0.0	-9.99	414.78	6.54	-3.45
CC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(OCCCC(C)C)=C1	REAL000000009180	0	55	0.0	-9.72	446.88	7.10	-2.61
COC1=CC=C(OC)C(C(O)CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL000000009181	0	44	-1.0	-50.08	365.91	-0.19	-50.27
COC1=CC=C(OC)C(C(O)CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL000000009181	1	44	-1.0	-50.07	365.85	-0.19	-50.26
COC1=CC=C(OC)C(C(O)CNC(=O)CCCC2=NNN=N2)=C1	REAL000000009181	1	45	0.0	-16.57	369.29	-0.18	-16.75
COC1=CC=C(OC)C(C(O)CNC(=O)CCC2=NN=N[N-]2)=C1	REAL000000009182	0	41	-1.0	-43.12	344.41	-0.97	-44.09
COC1=CC=C(OC)C(C(O)CNC(=O)CCC2=N[N-]N=N2)=C1	REAL000000009182	1	41	-1.0	-43.12	344.36	-0.98	-44.10
COC1=CC=C(OC)C(C(O)CNC(=O)CCC2=NNN=N2)=C1	REAL000000009182	1	42	0.0	-12.83	347.79	-0.96	-13.79
COC1=CC=C(OC)C(C(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009183	0	48	0.0	-18.21	394.42	2.67	-15.53
COC1=CC=C(OC)C(C(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000009184	0	45	0.0	-12.19	379.89	-0.40	-12.58
CC(C)COCC(O)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009185	0	46	0.0	-15.30	377.01	2.61	-12.69
CC(C)COCC(O)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009186	0	43	0.0	-10.10	362.75	-0.51	-10.61
COC1=CC=CC=C1C(O)CNC(=O)CCCC1=NN=N[N-]1	REAL000000009187	0	40	-1.0	-49.14	336.13	0.58	-48.56
COC1=CC=CC=C1C(O)CNC(=O)CCCC1=N[N-]N=N1	REAL000000009187	1	40	-1.0	-49.14	336.07	0.57	-48.56
COC1=CC=CC=C1C(O)CNC(=O)CCCC1=NNN=N1	REAL000000009187	1	41	0.0	-15.69	339.51	0.59	-15.10
COC1=CC=CC=C1C(O)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009188	0	44	0.0	-17.36	364.95	3.37	-13.98
COC1=CC=CC=C1C(O)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009189	0	41	0.0	-11.42	350.42	0.31	-11.11
CC1=CC=C(C(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000009190	0	43	0.0	-16.23	358.05	4.71	-11.52
CC1=CC=C(C(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000009191	0	40	0.0	-10.23	344.00	1.55	-8.68
COC1=CC=C(C(O)CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL000000009192	0	40	-1.0	-49.22	338.08	0.39	-48.83
COC1=CC=C(C(O)CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL000000009192	1	40	-1.0	-49.21	338.02	0.40	-48.81
COC1=CC=C(C(O)CNC(=O)CCCC2=NNN=N2)C=C1	REAL000000009192	1	41	0.0	-16.34	340.96	0.49	-15.85
COC1=CC=C(C(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000009193	0	44	0.0	-17.92	366.61	3.26	-14.66
COC1=CC=C(C(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000009194	0	41	0.0	-11.82	352.09	0.19	-11.63
CC1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(C)=C1O	REAL000000009195	0	40	0.0	-16.31	329.77	5.08	-11.23
CC1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(C)=C1O	REAL000000009196	0	37	0.0	-10.01	315.59	2.05	-7.95
O=C(NCC(O)C1CCCCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009197	0	46	0.0	-14.29	356.67	4.22	-10.08
O=C(NCC(O)C1CCCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009198	0	43	0.0	-8.44	342.12	1.14	-7.30
O=C(CCCC1=NN=N[N-]1)NCC(O)COC1=CC=CC=C1	REAL000000009199	0	40	-1.0	-48.38	341.53	0.77	-47.62
O=C(CCCC1=N[N-]N=N1)NCC(O)COC1=CC=CC=C1	REAL000000009199	1	40	-1.0	-48.37	341.47	0.77	-47.60
O=C(CCCC1=NNN=N1)NCC(O)COC1=CC=CC=C1	REAL000000009199	1	41	0.0	-15.50	344.61	0.84	-14.66
O=C(NCC(O)COC1=CC=CC=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009200	0	44	0.0	-16.97	370.06	3.63	-13.34
O=C(NCC(O)COC1=CC=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009201	0	41	0.0	-11.70	355.20	0.62	-11.08
O=C(CCCC1=NN=N[N-]1)NCC(O)COC1=CC=CC(C(F)(F)F)=C1	REAL000000009202	0	43	-1.0	-48.83	380.24	1.76	-47.08
O=C(CCCC1=N[N-]N=N1)NCC(O)COC1=CC=CC(C(F)(F)F)=C1	REAL000000009202	1	43	-1.0	-48.82	380.19	1.76	-47.07
O=C(CCCC1=NNN=N1)NCC(O)COC1=CC=CC(C(F)(F)F)=C1	REAL000000009202	1	44	0.0	-16.62	383.62	1.78	-14.84
O=C(CCC1=NN=N[N-]1)NCC(O)COC1=CC=CC(C(F)(F)F)=C1	REAL000000009203	0	40	-1.0	-42.82	358.74	0.98	-41.85
O=C(CCC1=N[N-]N=N1)NCC(O)COC1=CC=CC(C(F)(F)F)=C1	REAL000000009203	1	40	-1.0	-42.81	358.69	0.98	-41.84
O=C(CCC1=NNN=N1)NCC(O)COC1=CC=CC(C(F)(F)F)=C1	REAL000000009203	1	41	0.0	-13.48	362.12	0.98	-12.50
O=C(CCCC1=NN=N[N-]1)NCC(O)COC1=CC=C(F)C=C1	REAL000000009204	0	40	-1.0	-48.20	347.64	0.89	-47.31
O=C(CCCC1=N[N-]N=N1)NCC(O)COC1=CC=C(F)C=C1	REAL000000009204	1	40	-1.0	-48.19	347.58	0.89	-47.30
O=C(CCCC1=NNN=N1)NCC(O)COC1=CC=C(F)C=C1	REAL000000009204	1	41	0.0	-15.93	351.32	0.84	-15.09
O=C(CCC1=NN=N[N-]1)NCC(O)COC1=CC=C(F)C=C1	REAL000000009205	0	37	-1.0	-41.85	326.44	0.05	-41.80
O=C(CCC1=N[N-]N=N1)NCC(O)COC1=CC=C(F)C=C1	REAL000000009205	1	37	-1.0	-41.85	326.38	0.05	-41.80
O=C(CCC1=NNN=N1)NCC(O)COC1=CC=C(F)C=C1	REAL000000009205	1	38	0.0	-12.53	329.52	0.12	-12.41
O=C(NCC(O)COC1=CC=C(F)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009206	0	44	0.0	-17.32	376.47	3.70	-13.63
O=C(NCC(O)COC1=CC=C(F)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009207	0	41	0.0	-12.06	361.61	0.68	-11.38
O=C(CCCC1=NN=N[N-]1)NCC(O)COC1=CC=C(C(F)(F)F)C=C1	REAL000000009208	0	43	-1.0	-48.26	380.25	1.77	-46.49
O=C(CCCC1=N[N-]N=N1)NCC(O)COC1=CC=C(C(F)(F)F)C=C1	REAL000000009208	1	43	-1.0	-48.25	380.19	1.76	-46.49
O=C(CCCC1=NNN=N1)NCC(O)COC1=CC=C(C(F)(F)F)C=C1	REAL000000009208	1	44	0.0	-15.99	383.62	1.78	-14.21
O=C(CCC1=NN=N[N-]1)NCC(O)COC1=CC=C(C(F)(F)F)C=C1	REAL000000009209	0	40	-1.0	-41.77	358.45	1.04	-40.73
O=C(CCC1=N[N-]N=N1)NCC(O)COC1=CC=C(C(F)(F)F)C=C1	REAL000000009209	1	40	-1.0	-41.77	358.39	1.04	-40.73
O=C(CCC1=NNN=N1)NCC(O)COC1=CC=C(C(F)(F)F)C=C1	REAL000000009209	1	41	0.0	-12.64	361.82	1.05	-11.60
CC1=CC=CC(C)=C1OCC(O)CNC(=O)CCCC1=NN=N[N-]1	REAL000000009210	0	46	-1.0	-48.30	383.28	2.29	-46.01
CC1=CC=CC(C)=C1OCC(O)CNC(=O)CCCC1=N[N-]N=N1	REAL000000009210	1	46	-1.0	-48.28	383.23	2.28	-46.01
CC1=CC=CC(C)=C1OCC(O)CNC(=O)CCCC1=NNN=N1	REAL000000009210	1	47	0.0	-15.40	386.66	2.30	-13.11
CC1=CC=CC(C)=C1OCC(O)CNC(=O)CCC1=NN=N[N-]1	REAL000000009211	0	43	-1.0	-41.75	361.79	1.50	-40.26
CC1=CC=CC(C)=C1OCC(O)CNC(=O)CCC1=N[N-]N=N1	REAL000000009211	1	43	-1.0	-41.75	361.73	1.50	-40.26
CC1=CC=CC(C)=C1OCC(O)CNC(=O)CCC1=NNN=N1	REAL000000009211	1	44	0.0	-11.96	365.16	1.51	-10.45
CC1=CC=CC(C)=C1OCC(O)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009212	0	50	0.0	-16.72	411.56	5.20	-11.51
CC1=CC=CC(C)=C1OCC(O)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009213	0	47	0.0	-11.32	396.96	2.14	-9.18
O=C(CCCC1=NN=N[N-]1)NCC(O)COC1=CC=C2NC(=O)CCC2=C1	REAL000000009214	0	48	-1.0	-52.26	401.37	-0.06	-52.32
O=C(CCCC1=N[N-]N=N1)NCC(O)COC1=CC=C2NC(=O)CCC2=C1	REAL000000009214	1	48	-1.0	-52.25	401.31	-0.06	-52.31
O=C(CCCC1=NNN=N1)NCC(O)COC1=CC=C2NC(=O)CCC2=C1	REAL000000009214	1	49	0.0	-19.99	404.75	-0.05	-20.04
O=C(CCC1=NN=N[N-]1)NCC(O)COC1=CC=C2NC(=O)CCC2=C1	REAL000000009215	0	45	-1.0	-45.73	379.87	-0.84	-46.57
O=C(CCC1=N[N-]N=N1)NCC(O)COC1=CC=C2NC(=O)CCC2=C1	REAL000000009215	1	45	-1.0	-45.73	379.82	-0.85	-46.58
O=C(CCC1=NNN=N1)NCC(O)COC1=CC=C2NC(=O)CCC2=C1	REAL000000009215	1	46	0.0	-16.59	382.95	-0.77	-17.36
O=C(CCCC1=NN=N[N-]1)NCC(O)COC1=CC=C2OCOC2=C1	REAL000000009216	0	43	-1.0	-50.86	367.60	-0.58	-51.44
O=C(CCCC1=N[N-]N=N1)NCC(O)COC1=CC=C2OCOC2=C1	REAL000000009216	1	43	-1.0	-50.85	367.54	-0.58	-51.43
O=C(CCCC1=NNN=N1)NCC(O)COC1=CC=C2OCOC2=C1	REAL000000009216	1	44	0.0	-18.47	370.67	-0.51	-18.98
O=C(CCC1=NN=N[N-]1)NCC(O)COC1=CC=C2OCOC2=C1	REAL000000009217	0	40	-1.0	-44.72	346.10	-1.36	-46.08
O=C(CCC1=N[N-]N=N1)NCC(O)COC1=CC=C2OCOC2=C1	REAL000000009217	1	40	-1.0	-44.71	346.04	-1.37	-46.08
O=C(CCC1=NNN=N1)NCC(O)COC1=CC=C2OCOC2=C1	REAL000000009217	1	41	0.0	-15.37	349.48	-1.35	-16.72
O=C(NCC(O)COC1=CC=C2OCOC2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009218	0	47	0.0	-19.85	395.83	2.34	-17.51
O=C(NCC(O)COC1=CC=C2OCOC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009219	0	44	0.0	-14.89	381.27	-0.73	-15.62
O=C(CCCC1=NN=N[N-]1)NCC(O)COC1=CC=CC(Cl)=C1Cl	REAL000000009220	0	40	-1.0	-49.73	372.74	1.79	-47.94
O=C(CCCC1=N[N-]N=N1)NCC(O)COC1=CC=CC(Cl)=C1Cl	REAL000000009220	1	40	-1.0	-49.72	372.68	1.78	-47.94
O=C(CCCC1=NNN=N1)NCC(O)COC1=CC=CC(Cl)=C1Cl	REAL000000009220	1	41	0.0	-17.32	375.82	1.86	-15.46
O=C(CCC1=NN=N[N-]1)NCC(O)COC1=CC=CC(Cl)=C1Cl	REAL000000009221	0	37	-1.0	-43.88	350.94	1.07	-42.82
O=C(CCC1=N[N-]N=N1)NCC(O)COC1=CC=CC(Cl)=C1Cl	REAL000000009221	1	37	-1.0	-43.88	350.88	1.06	-42.82
O=C(CCC1=NNN=N1)NCC(O)COC1=CC=CC(Cl)=C1Cl	REAL000000009221	1	38	0.0	-14.29	354.31	1.08	-13.21
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CC=CC=C1C(F)(F)F	REAL000000009222	0	39	-1.0	-49.47	335.20	1.84	-47.62
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CC=CC=C1C(F)(F)F	REAL000000009222	1	39	-1.0	-49.46	335.15	1.84	-47.62
O=C(CCCC1=NNN=N1)NCC(O)C1=CC=CC=C1C(F)(F)F	REAL000000009222	1	40	0.0	-15.72	338.58	1.85	-13.86
O=C(CCC1=NN=N[N-]1)NCC(O)C1=CC=CC=C1C(F)(F)F	REAL000000009223	0	36	-1.0	-42.68	313.70	1.06	-41.61
O=C(CCC1=N[N-]N=N1)NCC(O)C1=CC=CC=C1C(F)(F)F	REAL000000009223	1	36	-1.0	-42.68	313.65	1.06	-41.62
O=C(CCC1=NNN=N1)NCC(O)C1=CC=CC=C1C(F)(F)F	REAL000000009223	1	37	0.0	-12.23	317.08	1.07	-11.16
O=C(NCC(O)C1=CC=CC=C1C(F)(F)F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009224	0	43	0.0	-17.43	364.15	4.64	-12.79
O=C(NCC(O)C1=CC=CC=C1C(F)(F)F)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009225	0	40	0.0	-11.68	349.15	1.64	-10.04
O=C(NCC(O)C1=CC=CC(F)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009226	0	40	0.0	-17.34	343.05	4.10	-13.24
O=C(NCC(O)C1=CC=CC(F)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009227	0	37	0.0	-11.36	328.98	0.95	-10.41
O=C(NCC(O)COCC1CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009228	0	44	0.0	-15.63	367.07	2.70	-12.93
O=C(NCC(O)COCC1CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009229	0	41	0.0	-10.49	352.82	-0.43	-10.92
COC1=CC=CC(C(O)CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL000000009230	0	40	-1.0	-49.38	338.09	0.40	-48.98
COC1=CC=CC(C(O)CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL000000009230	1	40	-1.0	-49.36	338.03	0.40	-48.96
COC1=CC=CC(C(O)CNC(=O)CCCC2=NNN=N2)=C1	REAL000000009230	1	41	0.0	-16.26	341.47	0.41	-15.85
COC1=CC=CC(C(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009231	0	44	0.0	-17.78	366.14	3.34	-14.44
COC1=CC=CC(C(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000009232	0	41	0.0	-11.76	352.07	0.19	-11.57
CC1CC(NC(=O)CCCC2=NN=N[N-]2)C[N@@H+]1CC1=CC=CC=C1	REAL000000009233	0	48	0.0	-71.70	373.41	6.15	-65.55
CC1CC(NC(=O)CCCC2=NN=N[N-]2)C[N@H+]1CC1=CC=CC=C1	REAL000000009233	1	48	0.0	-71.53	381.00	6.57	-64.96
CC1CC(NC(=O)CCCC2=N[N-]N=N2)C[N@@H+]1CC1=CC=CC=C1	REAL000000009233	1	48	0.0	-71.68	373.35	6.15	-65.53
CC1CC(NC(=O)CCCC2=N[N-]N=N2)C[N@H+]1CC1=CC=CC=C1	REAL000000009233	1	48	0.0	-71.51	380.94	6.57	-64.94
CC1CC(NC(=O)CCCC2=NNN=N2)C[N@@H+]1CC1=CC=CC=C1	REAL000000009233	1	49	1.0	-49.52	376.78	6.16	-43.35
CC1CC(NC(=O)CCCC2=NNN=N2)C[N@H+]1CC1=CC=CC=C1	REAL000000009233	1	49	1.0	-48.85	384.38	6.58	-42.27
CC1CC(NC(=O)CCC2=NN=N[N-]2)C[N@@H+]1CC1=CC=CC=C1	REAL000000009234	0	45	0.0	-62.03	351.98	5.35	-56.68
CC1CC(NC(=O)CCC2=NN=N[N-]2)C[N@H+]1CC1=CC=CC=C1	REAL000000009234	1	45	0.0	-62.68	359.50	5.79	-56.89
CC1CC(NC(=O)CCC2=N[N-]N=N2)C[N@@H+]1CC1=CC=CC=C1	REAL000000009234	1	45	0.0	-62.02	351.93	5.34	-56.67
CC1CC(NC(=O)CCC2=N[N-]N=N2)C[N@H+]1CC1=CC=CC=C1	REAL000000009234	1	45	0.0	-62.68	359.44	5.79	-56.88
CC1CC(NC(=O)CCC2=NNN=N2)C[N@@H+]1CC1=CC=CC=C1	REAL000000009234	1	46	1.0	-45.55	355.28	5.38	-40.16
CC1CC(NC(=O)CCC2=NNN=N2)C[N@H+]1CC1=CC=CC=C1	REAL000000009234	1	46	1.0	-45.22	362.88	5.80	-39.42
CC1CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C[N@@H+]1CC1=CC=CC=C1	REAL000000009235	0	52	1.0	-49.54	402.21	8.95	-40.59
CC1CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C[N@H+]1CC1=CC=CC=C1	REAL000000009235	1	52	1.0	-51.07	402.29	8.96	-42.11
CC1CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C[N@@H+]1CC1=CC=CC=C1	REAL000000009236	0	49	1.0	-43.17	387.44	5.92	-37.24
CC1CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C[N@H+]1CC1=CC=CC=C1	REAL000000009236	1	49	1.0	-41.97	392.42	6.24	-35.73
CCC(NC(=O)CCCC1=NN=N[N-]1)C(O)C1=CC=CC=C1F	REAL000000009237	0	42	-1.0	-50.22	342.26	3.16	-47.06
CCC(NC(=O)CCCC1=N[N-]N=N1)C(O)C1=CC=CC=C1F	REAL000000009237	1	42	-1.0	-50.21	342.21	3.16	-47.04
CCC(NC(=O)CCCC1=NNN=N1)C(O)C1=CC=CC=C1F	REAL000000009237	1	43	0.0	-15.65	344.16	2.66	-12.99
CCC(NC(=O)CCC1=NN=N[N-]1)C(O)C1=CC=CC=C1F	REAL000000009238	0	39	-1.0	-43.25	319.30	1.86	-41.38
CCC(NC(=O)CCC1=N[N-]N=N1)C(O)C1=CC=CC=C1F	REAL000000009238	1	39	-1.0	-43.25	319.24	1.86	-41.38
CCC(NC(=O)CCC1=NNN=N1)C(O)C1=CC=CC=C1F	REAL000000009238	1	40	0.0	-12.10	322.68	1.87	-10.22
CCC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(O)C1=CC=CC=C1F	REAL000000009239	0	46	0.0	-17.77	369.28	5.51	-12.26
CCC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(O)C1=CC=CC=C1F	REAL000000009240	0	43	0.0	-11.53	354.76	2.44	-9.09
CCC(NC(=O)CCCC1=NN=N[N-]1)C(O)C1=C(F)C=CC=C1F	REAL000000009241	0	42	-1.0	-48.01	339.81	2.67	-45.34
CCC(NC(=O)CCCC1=N[N-]N=N1)C(O)C1=C(F)C=CC=C1F	REAL000000009241	1	42	-1.0	-48.00	339.75	2.66	-45.34
CCC(NC(=O)CCCC1=NNN=N1)C(O)C1=C(F)C=CC=C1F	REAL000000009241	1	43	0.0	-13.76	343.19	2.68	-11.08
CCC(NC(=O)CCC1=NN=N[N-]1)C(O)C1=C(F)C=CC=C1F	REAL000000009242	0	39	-1.0	-41.73	318.59	1.87	-39.86
CCC(NC(=O)CCC1=N[N-]N=N1)C(O)C1=C(F)C=CC=C1F	REAL000000009242	1	39	-1.0	-41.73	318.53	1.87	-39.86
CCC(NC(=O)CCC1=NNN=N1)C(O)C1=C(F)C=CC=C1F	REAL000000009242	1	40	0.0	-10.31	321.96	1.88	-8.43
CCC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(O)C1=C(F)C=CC=C1F	REAL000000009243	0	46	0.0	-15.52	368.25	5.53	-9.99
CCC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(O)C1=C(F)C=CC=C1F	REAL000000009244	0	43	0.0	-9.76	362.89	4.04	-5.72
CC(NC(=O)CCCC1=NN=N[N-]1)C(O)C1=C(F)C=CC=C1Cl	REAL000000009245	0	39	-1.0	-48.64	343.21	2.40	-46.24
CC(NC(=O)CCCC1=N[N-]N=N1)C(O)C1=C(F)C=CC=C1Cl	REAL000000009245	1	39	-1.0	-48.63	343.15	2.39	-46.24
CC(NC(=O)CCCC1=NNN=N1)C(O)C1=C(F)C=CC=C1Cl	REAL000000009245	1	40	0.0	-14.19	337.89	2.42	-11.77
CC(NC(=O)CCC1=NN=N[N-]1)C(O)C1=C(F)C=CC=C1Cl	REAL000000009246	0	36	-1.0	-39.03	315.65	2.95	-36.08
CC(NC(=O)CCC1=N[N-]N=N1)C(O)C1=C(F)C=CC=C1Cl	REAL000000009246	1	36	-1.0	-39.03	315.60	2.96	-36.07
CC(NC(=O)CCC1=NNN=N1)C(O)C1=C(F)C=CC=C1Cl	REAL000000009246	1	37	0.0	-10.49	316.39	1.64	-8.84
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(O)C1=C(F)C=CC=C1Cl	REAL000000009247	0	43	0.0	-15.43	364.51	6.41	-9.02
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(O)C1=C(F)C=CC=C1Cl	REAL000000009248	0	40	0.0	-10.06	348.94	2.26	-7.80
CC(NC(=O)CCCC1=NN=N[N-]1)C(O)C1=C(Cl)C=CC=C1Cl	REAL000000009249	0	39	-1.0	-47.73	340.20	2.95	-44.78
CC(NC(=O)CCCC1=N[N-]N=N1)C(O)C1=C(Cl)C=CC=C1Cl	REAL000000009249	1	39	-1.0	-47.72	340.15	2.94	-44.78
CC(NC(=O)CCCC1=NNN=N1)C(O)C1=C(Cl)C=CC=C1Cl	REAL000000009249	1	40	0.0	-14.03	343.58	2.96	-11.07
CC(NC(=O)CCC1=NN=N[N-]1)C(O)C1=C(Cl)C=CC=C1Cl	REAL000000009250	0	36	-1.0	-40.99	318.80	2.15	-38.84
CC(NC(=O)CCC1=N[N-]N=N1)C(O)C1=C(Cl)C=CC=C1Cl	REAL000000009250	1	36	-1.0	-40.98	318.75	2.14	-38.84
CC(NC(=O)CCC1=NNN=N1)C(O)C1=C(Cl)C=CC=C1Cl	REAL000000009250	1	37	0.0	-9.64	318.09	3.04	-6.60
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(O)C1=C(Cl)C=CC=C1Cl	REAL000000009251	0	40	0.0	-9.77	353.97	2.70	-7.06
CC(NC(=O)CCCC1=NN=N[N-]1)C(O)C1=CC=CC(F)=C1	REAL000000009252	0	39	-1.0	-50.30	327.48	2.68	-47.62
CC(NC(=O)CCCC1=N[N-]N=N1)C(O)C1=CC=CC(F)=C1	REAL000000009252	1	39	-1.0	-50.29	327.42	2.68	-47.61
CC(NC(=O)CCCC1=NNN=N1)C(O)C1=CC=CC(F)=C1	REAL000000009252	1	40	0.0	-17.97	330.86	2.69	-15.28
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(O)C1=CC=CC(F)=C1	REAL000000009253	0	43	0.0	-17.68	355.48	4.85	-12.83
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(O)C1=CC=CC(F)=C1	REAL000000009254	0	40	0.0	-11.47	339.90	1.78	-9.69
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL000000009255	0	46	-1.0	-48.74	367.94	2.68	-46.06
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL000000009255	1	46	-1.0	-48.73	367.88	2.68	-46.05
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)CCCC2=NNN=N2)C1	REAL000000009255	1	47	0.0	-16.11	371.30	2.69	-13.42
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL000000009256	0	43	-1.0	-42.01	347.50	1.92	-40.09
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL000000009256	1	43	-1.0	-42.01	347.45	1.93	-40.09
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)CCC2=NNN=N2)C1	REAL000000009256	1	44	0.0	-11.99	349.80	1.91	-10.08
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000009257	0	50	0.0	-18.20	392.09	5.05	-13.15
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000009258	0	47	0.0	-13.94	378.72	2.96	-10.98
CC(C)(C)OC(=O)NC1CC2CCCC(C1)N2C(=O)CCCC1=NN=N[N-]1	REAL000000009259	0	56	-1.0	-47.81	417.78	5.07	-42.74
CC(C)(C)OC(=O)NC1CC2CCCC(C1)N2C(=O)CCCC1=N[N-]N=N1	REAL000000009259	1	56	-1.0	-47.80	417.72	5.06	-42.74
CC(C)(C)OC(=O)NC1CC2CCCC(C1)N2C(=O)CCCC1=NNN=N1	REAL000000009259	1	57	0.0	-14.87	421.16	5.08	-9.79
CC(C)(C)OC(=O)NC1CC2CCCC(C1)N2C(=O)CCC1=NN=N[N-]1	REAL000000009260	0	53	-1.0	-41.56	396.30	4.28	-37.27
CC(C)(C)OC(=O)NC1CC2CCCC(C1)N2C(=O)CCC1=N[N-]N=N1	REAL000000009260	1	53	-1.0	-41.55	396.25	4.28	-37.26
CC(C)(C)OC(=O)NC1CC2CCCC(C1)N2C(=O)CCC1=NNN=N1	REAL000000009260	1	54	0.0	-11.01	399.62	4.29	-6.72
COC1=CC2=C(CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C(OC)=C1OC	REAL000000009261	0	51	-1.0	-51.74	402.99	5.67	-46.06
COC1=CC2=C(CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C(OC)=C1OC	REAL000000009261	1	51	-1.0	-51.73	402.94	5.68	-46.05
COC1=CC2=C(CCN(C(=O)CCCC3=NNN=N3)CC2)C(OC)=C1OC	REAL000000009261	1	52	0.0	-20.17	406.40	5.69	-14.49
COC1=CC2=C(CCN(C(=O)CCC3=NN=N[N-]3)CC2)C(OC)=C1OC	REAL000000009262	0	48	-1.0	-42.05	381.51	4.89	-37.16
COC1=CC2=C(CCN(C(=O)CCC3=N[N-]N=N3)CC2)C(OC)=C1OC	REAL000000009262	1	48	-1.0	-42.05	381.45	4.89	-37.15
COC1=CC2=C(CCN(C(=O)CCC3=NNN=N3)CC2)C(OC)=C1OC	REAL000000009262	1	49	0.0	-15.14	384.88	4.90	-10.24
COCCCS(=O)(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL000000009263	0	47	-1.0	-56.07	388.39	0.89	-55.18
COCCCS(=O)(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL000000009263	1	47	-1.0	-56.06	388.33	0.89	-55.17
COCCCS(=O)(=O)N1CCN(C(=O)CCCC2=NNN=N2)CC1	REAL000000009263	1	48	0.0	-23.90	391.77	0.90	-23.00
COCCCS(=O)(=O)N1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL000000009264	0	44	-1.0	-47.67	366.89	0.11	-47.56
COCCCS(=O)(=O)N1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL000000009264	1	44	-1.0	-47.66	366.83	0.11	-47.55
COCCCS(=O)(=O)N1CCN(C(=O)CCC2=NNN=N2)CC1	REAL000000009264	1	45	0.0	-19.72	370.27	0.12	-19.60
COCCCS(=O)(=O)N1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000009265	0	48	0.0	-18.17	399.45	1.12	-17.04
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1OC1=CC(F)=CC(F)=C1	REAL000000009266	0	40	-1.0	-45.69	353.55	6.48	-39.21
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1OC1=CC(F)=CC(F)=C1	REAL000000009266	1	40	-1.0	-45.68	353.49	6.47	-39.20
O=C(CCCC1=NNN=N1)NC1=CC=CC=C1OC1=CC(F)=CC(F)=C1	REAL000000009266	1	41	0.0	-12.86	358.46	6.47	-6.39
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1OC1=CC(F)=CC(F)=C1	REAL000000009267	0	37	-1.0	-39.81	333.28	5.63	-34.18
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1OC1=CC(F)=CC(F)=C1	REAL000000009267	1	37	-1.0	-39.80	333.22	5.63	-34.17
O=C(CCC1=NNN=N1)NC1=CC=CC=C1OC1=CC(F)=CC(F)=C1	REAL000000009267	1	38	0.0	-9.55	336.97	5.69	-3.86
O=C(NC1=CC=CC=C1OC1=CC(F)=CC(F)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009268	0	41	0.0	-9.09	369.06	6.26	-2.83
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC2OCCCC2C1	REAL000000009269	0	44	0.0	-16.44	337.76	6.17	-10.27
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2OCCCC2C1	REAL000000009270	0	41	0.0	-9.72	321.55	3.94	-5.77
C[C@H](C1=CC=CC=C1)N(CC(N)=O)C(=O)CCCC1=NN=N[N-]1	REAL000000009271	0	42	-1.0	-56.83	341.26	3.07	-53.76
C[C@H](C1=CC=CC=C1)N(CC(N)=O)C(=O)CCCC1=N[N-]N=N1	REAL000000009271	1	42	-1.0	-56.81	341.20	3.07	-53.74
C[C@H](C1=CC=CC=C1)N(CC(N)=O)C(=O)CCCC1=NNN=N1	REAL000000009271	1	43	0.0	-20.43	346.95	3.41	-17.02
C[C@H](C1=CC=CC=C1)N(CC(N)=O)C(=O)CCC1=NN=N[N-]1	REAL000000009272	0	39	-1.0	-46.59	322.08	2.62	-43.97
C[C@H](C1=CC=CC=C1)N(CC(N)=O)C(=O)CCC1=N[N-]N=N1	REAL000000009272	1	39	-1.0	-46.59	322.02	2.61	-43.98
C[C@H](C1=CC=CC=C1)N(CC(N)=O)C(=O)CCC1=NNN=N1	REAL000000009272	1	40	0.0	-17.75	323.14	2.30	-15.45
C[C@H](C1=CC=CC=C1)N(CC(N)=O)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009273	0	46	0.0	-23.20	372.69	5.65	-17.55
C[C@H](C1=CC=CC=C1)N(CC(N)=O)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009274	0	43	0.0	-15.33	351.73	4.15	-11.17
CCCCC(CNC(=O)OC(C)(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL000000009275	0	54	-1.0	-47.87	422.40	3.52	-44.35
CCCCC(CNC(=O)OC(C)(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL000000009275	1	54	-1.0	-47.86	422.34	3.51	-44.34
CCCCC(CNC(=O)OC(C)(C)C)NC(=O)CCCC1=NNN=N1	REAL000000009275	1	55	0.0	-14.50	425.77	3.53	-10.97
CCCCC(CNC(=O)OC(C)(C)C)NC(=O)CCC1=NN=N[N-]1	REAL000000009276	0	51	-1.0	-41.09	400.90	2.73	-38.35
CCCCC(CNC(=O)OC(C)(C)C)NC(=O)CCC1=N[N-]N=N1	REAL000000009276	1	51	-1.0	-41.08	400.84	2.73	-38.35
CCCCC(CNC(=O)OC(C)(C)C)NC(=O)CCC1=NNN=N1	REAL000000009276	1	52	0.0	-11.14	404.26	2.75	-8.38
CCCCC(CNC(=O)OC(C)(C)C)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009277	0	55	0.0	-10.19	436.36	3.31	-6.88
O=C(CCCC1=NN=N[N-]1)N1CCN(C2=CC=CS2)CC1	REAL000000009278	0	38	-1.0	-46.83	318.37	3.76	-43.07
O=C(CCCC1=N[N-]N=N1)N1CCN(C2=CC=CS2)CC1	REAL000000009278	1	38	-1.0	-46.81	318.31	3.76	-43.05
O=C(CCCC1=NNN=N1)N1CCN(C2=CC=CS2)CC1	REAL000000009278	1	39	0.0	-14.74	321.79	3.78	-10.96
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCN(C2=CC=CS2)CC1	REAL000000009279	0	42	0.0	-16.29	344.58	6.25	-10.04
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCN(C2=CC=CS2)CC1	REAL000000009280	0	39	0.0	-9.33	329.45	4.02	-5.31
COC1=CC(OC)=CC(OCCCN(C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL000000009281	0	50	-1.0	-53.20	407.68	4.61	-48.59
COC1=CC(OC)=CC(OCCCN(C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL000000009281	1	50	-1.0	-53.19	407.62	4.61	-48.58
COC1=CC(OC)=CC(OCCCN(C)C(=O)CCCC2=NNN=N2)=C1	REAL000000009281	1	51	0.0	-18.80	411.06	4.62	-14.18
COC1=CC(OC)=CC(OCCCN(C)C(=O)CCC2=NN=N[N-]2)=C1	REAL000000009282	0	47	-1.0	-45.47	385.91	3.82	-41.66
COC1=CC(OC)=CC(OCCCN(C)C(=O)CCC2=N[N-]N=N2)=C1	REAL000000009282	1	47	-1.0	-45.47	385.85	3.82	-41.66
COC1=CC(OC)=CC(OCCCN(C)C(=O)CCC2=NNN=N2)=C1	REAL000000009282	1	48	0.0	-14.68	389.29	3.83	-10.85
COC1=CC(OCCCN(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC(OC)=C1	REAL000000009283	0	51	0.0	-14.18	419.14	4.97	-9.21
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C(=O)NC2CCOCC2)C=C1	REAL000000009284	0	47	-1.0	-50.32	384.39	2.82	-47.51
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C(=O)NC2CCOCC2)C=C1	REAL000000009284	1	47	-1.0	-50.32	384.33	2.81	-47.51
O=C(CCCC1=NNN=N1)NC1=CC=C(C(=O)NC2CCOCC2)C=C1	REAL000000009284	1	48	0.0	-18.92	387.77	2.82	-16.10
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C(=O)NC2CCOCC2)C=C1	REAL000000009285	0	44	-1.0	-42.60	362.89	2.03	-40.57
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C(=O)NC2CCOCC2)C=C1	REAL000000009285	1	44	-1.0	-42.59	362.83	2.03	-40.56
O=C(CCC1=NNN=N1)NC1=CC=C(C(=O)NC2CCOCC2)C=C1	REAL000000009285	1	45	0.0	-15.13	366.27	2.04	-13.09
O=C(NC1=CC=C(C(=O)NC2CCOCC2)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009286	0	48	0.0	-16.02	398.04	2.62	-13.39
COC1=CC=C(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C=C1F	REAL000000009287	0	45	-1.0	-49.52	361.12	3.95	-45.57
COC1=CC=C(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C=C1F	REAL000000009287	1	45	-1.0	-49.50	361.06	3.94	-45.56
COC1=CC=C(N2CCN(C(=O)CCCC3=NNN=N3)CC2)C=C1F	REAL000000009287	1	46	0.0	-17.30	364.54	3.97	-13.33
COC1=CC=C(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1F	REAL000000009288	0	42	-1.0	-41.99	339.63	3.17	-38.82
COC1=CC=C(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1F	REAL000000009288	1	42	-1.0	-41.98	339.57	3.16	-38.82
COC1=CC=C(N2CCN(C(=O)CCC3=NNN=N3)CC2)C=C1F	REAL000000009288	1	43	0.0	-13.15	343.00	3.18	-9.98
COC1=CC=C(N2CCN(C(=O)C3=CC=CC(NC4=NNN=N4)=C3)CC2)C=C1F	REAL000000009289	0	49	0.0	-18.08	389.18	6.48	-11.61
COC1=CC=C(N2CCN(C(=O)C3=CC=C(C4=NNN=N4)C=N3)CC2)C=C1F	REAL000000009290	0	46	0.0	-12.29	372.18	4.21	-8.08
O=C(CCCC1=NN=N[N-]1)N1CC2(CCCC2)C2=CC(Br)=CC=C21	REAL000000009291	0	43	-1.0	-44.11	356.13	8.14	-35.97
O=C(CCCC1=N[N-]N=N1)N1CC2(CCCC2)C2=CC(Br)=CC=C21	REAL000000009291	1	43	-1.0	-44.09	356.07	8.14	-35.95
O=C(CCCC1=NNN=N1)N1CC2(CCCC2)C2=CC(Br)=CC=C21	REAL000000009291	1	44	0.0	-12.08	359.50	8.15	-3.93
O=C(CCC1=NN=N[N-]1)N1CC2(CCCC2)C2=CC(Br)=CC=C21	REAL000000009292	0	40	-1.0	-37.77	334.64	7.36	-30.40
O=C(CCC1=N[N-]N=N1)N1CC2(CCCC2)C2=CC(Br)=CC=C21	REAL000000009292	1	40	-1.0	-37.77	334.58	7.35	-30.42
O=C(CCC1=NNN=N1)N1CC2(CCCC2)C2=CC(Br)=CC=C21	REAL000000009292	1	41	0.0	-7.86	338.01	7.37	-0.49
CCC(CC1=CC=CC=C1)N(CC)C(=O)CCCC1=NN=N[N-]1	REAL000000009293	0	47	-1.0	-49.06	367.03	8.49	-40.57
CCC(CC1=CC=CC=C1)N(CC)C(=O)CCCC1=N[N-]N=N1	REAL000000009293	1	47	-1.0	-49.06	366.98	8.48	-40.58
CCC(CC1=CC=CC=C1)N(CC)C(=O)CCCC1=NNN=N1	REAL000000009293	1	48	0.0	-14.48	370.40	8.50	-5.98
CCC(CC1=CC=CC=C1)N(CC)C(=O)CCC1=NN=N[N-]1	REAL000000009294	0	44	-1.0	-41.19	345.37	7.70	-33.48
CCC(CC1=CC=CC=C1)N(CC)C(=O)CCC1=N[N-]N=N1	REAL000000009294	1	44	-1.0	-41.18	345.32	7.71	-33.48
CCC(CC1=CC=CC=C1)N(CC)C(=O)CCC1=NNN=N1	REAL000000009294	1	45	0.0	-10.14	348.29	7.68	-2.45
CCC(CC1=CC=CC=C1)N(CC)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009295	0	51	0.0	-18.64	388.22	11.02	-7.62
CCC(CC1=CC=CC=C1)N(CC)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009296	0	48	0.0	-10.36	374.27	9.68	-0.68
CC1=CC=C(C[NH+]2CCCC2)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000009297	0	48	0.0	-57.34	373.48	7.23	-50.11
CC1=CC=C(C[NH+]2CCCC2)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000009297	1	48	0.0	-57.32	373.42	7.23	-50.09
CC1=CC=C(C[NH+]2CCCC2)C=C1NC(=O)CCCC1=NNN=N1	REAL000000009297	1	49	1.0	-37.40	376.85	7.24	-30.16
CC1=CC=C(C[NH+]2CCCC2)C=C1NC(=O)CCC1=NN=N[N-]1	REAL000000009298	0	45	0.0	-54.47	352.98	6.50	-47.98
CC1=CC=C(C[NH+]2CCCC2)C=C1NC(=O)CCC1=N[N-]N=N1	REAL000000009298	1	45	0.0	-54.46	352.92	6.50	-47.96
CC1=CC=C(C[NH+]2CCCC2)C=C1NC(=O)CCC1=NNN=N1	REAL000000009298	1	46	1.0	-35.64	355.36	6.46	-29.18
CC1=CC=C(C[NH+]2CCCC2)C=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009299	0	52	1.0	-37.05	402.73	10.02	-27.03
CC1=CC=C(C[NH+]2CCCC2)C=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009300	0	49	1.0	-35.83	388.48	7.07	-28.76
COC(=O)CCCN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL000000009301	0	47	-1.0	-52.80	389.37	7.93	-44.86
COC(=O)CCCN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL000000009301	1	47	-1.0	-52.79	389.31	7.92	-44.87
COC(=O)CCCN(CC1=CC=CC=C1)C(=O)CCCC1=NNN=N1	REAL000000009301	1	48	0.0	-18.55	391.64	7.88	-10.67
COC(=O)CCCN(CC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL000000009302	0	44	-1.0	-47.11	367.87	7.15	-39.95
COC(=O)CCCN(CC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL000000009302	1	44	-1.0	-47.11	367.81	7.14	-39.97
COC(=O)CCCN(CC1=CC=CC=C1)C(=O)CCC1=NNN=N1	REAL000000009302	1	45	0.0	-14.63	370.14	7.10	-7.53
COC(=O)CCCN(CC1=CC=CC=C1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009303	0	51	0.0	-22.67	417.12	10.43	-12.24
COC(=O)CCCN(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009304	0	48	0.0	-14.86	401.97	8.84	-6.02
O=C(CCCC1=NN=N[N-]1)NC1CCOC2(CCSC2)C1	REAL000000009305	0	41	-1.0	-49.15	330.26	2.89	-46.26
O=C(CCCC1=N[N-]N=N1)NC1CCOC2(CCSC2)C1	REAL000000009305	1	41	-1.0	-49.14	330.20	2.89	-46.25
O=C(CCCC1=NNN=N1)NC1CCOC2(CCSC2)C1	REAL000000009305	1	42	0.0	-16.25	333.63	2.89	-13.36
O=C(NC1CCOC2(CCSC2)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009306	0	45	0.0	-16.85	358.84	5.73	-11.12
O=C(NC1CCOC2(CCSC2)C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009307	0	42	0.0	-9.44	344.72	2.66	-6.78
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2C(=C1)N=CN2C1=CC=CC=C1	REAL000000009308	0	42	-1.0	-51.27	359.91	8.00	-43.26
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2C(=C1)N=CN2C1=CC=CC=C1	REAL000000009308	1	42	-1.0	-51.26	359.85	8.00	-43.25
O=C(CCCC1=NNN=N1)NC1=CC=C2C(=C1)N=CN2C1=CC=CC=C1	REAL000000009308	1	43	0.0	-18.35	363.59	8.00	-10.35
O=C(CCC1=NN=N[N-]1)NC1=CC=C2C(=C1)N=CN2C1=CC=CC=C1	REAL000000009309	0	39	-1.0	-43.73	338.40	7.22	-36.50
O=C(CCC1=N[N-]N=N1)NC1=CC=C2C(=C1)N=CN2C1=CC=CC=C1	REAL000000009309	1	39	-1.0	-43.72	338.35	7.22	-36.50
O=C(CCC1=NNN=N1)NC1=CC=C2C(=C1)N=CN2C1=CC=CC=C1	REAL000000009309	1	40	0.0	-14.38	342.09	7.22	-7.16
O=C(NC1=CC=C2C(=C1)N=CN2C1=CC=CC=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009310	0	46	0.0	-18.98	388.47	10.87	-8.12
O=C(NC1=CC=C2C(=C1)N=CN2C1=CC=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009311	0	43	0.0	-13.02	374.18	7.78	-5.24
CC(C)C(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(C)C	REAL000000009312	0	44	0.0	-14.39	326.67	6.27	-8.12
O=C(CCCC1=NN=N[N-]1)NC1(C2=CC=C3OCOC3=C2)CC1	REAL000000009313	0	39	-1.0	-49.06	333.31	3.41	-45.66
O=C(CCCC1=N[N-]N=N1)NC1(C2=CC=C3OCOC3=C2)CC1	REAL000000009313	1	39	-1.0	-49.05	333.26	3.41	-45.64
O=C(CCCC1=NNN=N1)NC1(C2=CC=C3OCOC3=C2)CC1	REAL000000009313	1	40	0.0	-15.63	336.69	3.42	-12.21
O=C(CCC1=NN=N[N-]1)NC1(C2=CC=C3OCOC3=C2)CC1	REAL000000009314	0	36	-1.0	-44.84	309.02	2.78	-42.06
O=C(CCC1=N[N-]N=N1)NC1(C2=CC=C3OCOC3=C2)CC1	REAL000000009314	1	36	-1.0	-44.83	308.96	2.78	-42.05
O=C(CCC1=NNN=N1)NC1(C2=CC=C3OCOC3=C2)CC1	REAL000000009314	1	37	0.0	-14.48	309.62	2.57	-11.91
O=C(NC1(C2=CC=C3OCOC3=C2)CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009315	0	43	0.0	-19.75	358.54	6.32	-13.43
O=C(NC1(C2=CC=C3OCOC3=C2)CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009316	0	40	0.0	-11.11	347.29	3.20	-7.91
O=C(CCCC1=NN=N[N-]1)NCCNC(=O)C1=CC=CC=C1F	REAL000000009317	0	39	-1.0	-54.23	340.28	2.02	-52.22
O=C(CCCC1=N[N-]N=N1)NCCNC(=O)C1=CC=CC=C1F	REAL000000009317	1	39	-1.0	-54.22	340.22	2.02	-52.20
O=C(CCCC1=NNN=N1)NCCNC(=O)C1=CC=CC=C1F	REAL000000009317	1	40	0.0	-21.86	343.65	2.02	-19.83
O=C(CCC1=NN=N[N-]1)NCCNC(=O)C1=CC=CC=C1F	REAL000000009318	0	36	-1.0	-48.13	318.78	1.23	-46.90
O=C(CCC1=N[N-]N=N1)NCCNC(=O)C1=CC=CC=C1F	REAL000000009318	1	36	-1.0	-48.12	318.72	1.23	-46.89
O=C(CCC1=NNN=N1)NCCNC(=O)C1=CC=CC=C1F	REAL000000009318	1	37	0.0	-18.65	322.16	1.24	-17.40
O=C(NCCNC(=O)C1=CC=CC=C1F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009319	0	43	0.0	-22.93	368.81	4.88	-18.05
O=C(NCCNC(=O)C1=CC=CC=C1F)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009320	0	40	0.0	-17.88	354.25	1.81	-16.07
CC(C)CCC1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000009321	0	51	0.0	-15.12	383.29	9.46	-5.66
CC(C)CCC1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000009322	0	48	0.0	-8.52	367.92	7.18	-1.34
O=C(CCCC1=NN=N[N-]1)N1CCC(OC2=CC=C(Cl)C(Cl)=C2)C1	REAL000000009323	0	40	-1.0	-50.47	361.53	6.27	-44.20
O=C(CCCC1=N[N-]N=N1)N1CCC(OC2=CC=C(Cl)C(Cl)=C2)C1	REAL000000009323	1	40	-1.0	-50.46	361.47	6.28	-44.19
O=C(CCCC1=NNN=N1)N1CCC(OC2=CC=C(Cl)C(Cl)=C2)C1	REAL000000009323	1	41	0.0	-18.06	364.90	6.28	-11.78
O=C(CCC1=NN=N[N-]1)N1CCC(OC2=CC=C(Cl)C(Cl)=C2)C1	REAL000000009324	0	37	-1.0	-39.88	341.04	5.52	-34.36
O=C(CCC1=N[N-]N=N1)N1CCC(OC2=CC=C(Cl)C(Cl)=C2)C1	REAL000000009324	1	37	-1.0	-39.87	340.98	5.51	-34.36
O=C(CCC1=NNN=N1)N1CCC(OC2=CC=C(Cl)C(Cl)=C2)C1	REAL000000009324	1	38	0.0	-11.16	344.42	5.53	-5.63
COC1=CC=C2CC(C3=CC=CC=C3)N(C(=O)CCCC3=NN=N[N-]3)CC2=C1	REAL000000009325	0	50	-1.0	-47.72	394.56	8.37	-39.34
COC1=CC=C2CC(C3=CC=CC=C3)N(C(=O)CCCC3=N[N-]N=N3)CC2=C1	REAL000000009325	1	50	-1.0	-47.70	394.50	8.36	-39.34
COC1=CC=C2CC(C3=CC=CC=C3)N(C(=O)CCCC3=NNN=N3)CC2=C1	REAL000000009325	1	51	0.0	-14.11	398.20	8.40	-5.71
COC1=CC=C2CC(C3=CC=CC=C3)N(C(=O)CCC3=NN=N[N-]3)CC2=C1	REAL000000009326	0	47	-1.0	-41.42	373.06	7.59	-33.83
COC1=CC=C2CC(C3=CC=CC=C3)N(C(=O)CCC3=N[N-]N=N3)CC2=C1	REAL000000009326	1	47	-1.0	-41.42	373.00	7.58	-33.84
COC1=CC=C2CC(C3=CC=CC=C3)N(C(=O)CCC3=NNN=N3)CC2=C1	REAL000000009326	1	48	0.0	-10.65	376.61	7.60	-3.05
CC(C1=CC=CC=C1)N1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL000000009327	0	42	-1.0	-49.27	350.61	6.25	-43.03
CC(C1=CC=CC=C1)N1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL000000009327	1	42	-1.0	-49.26	350.55	6.24	-43.02
CC(C1=CC=CC=C1)N1C=CC(NC(=O)CCCC2=NNN=N2)=N1	REAL000000009327	1	43	0.0	-16.42	353.99	6.26	-10.16
CC(C1=CC=CC=C1)N1C=CC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL000000009328	0	39	-1.0	-42.28	329.14	5.46	-36.82
CC(C1=CC=CC=C1)N1C=CC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL000000009328	1	39	-1.0	-42.28	329.09	5.46	-36.82
CC(C1=CC=CC=C1)N1C=CC(NC(=O)CCC2=NNN=N2)=N1	REAL000000009328	1	40	0.0	-12.69	332.49	5.48	-7.21
CC(C1=CC=CC=C1)N1C=CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000009329	0	46	0.0	-17.25	379.13	9.11	-8.14
CC(C1=CC=CC=C1)N1C=CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000009330	0	43	0.0	-12.04	364.56	6.04	-6.00
O=C(CCCC1=NN=N[N-]1)NC1CCN(S(=O)(=O)C2CC2)CC1	REAL000000009331	0	44	-1.0	-53.99	367.30	1.38	-52.61
O=C(CCCC1=N[N-]N=N1)NC1CCN(S(=O)(=O)C2CC2)CC1	REAL000000009331	1	44	-1.0	-53.97	367.24	1.37	-52.60
O=C(CCCC1=NNN=N1)NC1CCN(S(=O)(=O)C2CC2)CC1	REAL000000009331	1	45	0.0	-18.73	370.20	1.41	-17.32
O=C(CCC1=NN=N[N-]1)NC1CCN(S(=O)(=O)C2CC2)CC1	REAL000000009332	0	41	-1.0	-45.51	345.80	0.60	-44.91
O=C(CCC1=N[N-]N=N1)NC1CCN(S(=O)(=O)C2CC2)CC1	REAL000000009332	1	41	-1.0	-45.51	345.75	0.59	-44.92
O=C(CCC1=NNN=N1)NC1CCN(S(=O)(=O)C2CC2)CC1	REAL000000009332	1	42	0.0	-16.99	349.18	0.61	-16.38
O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009333	0	48	0.0	-22.77	395.83	4.23	-18.54
O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009334	0	45	0.0	-14.54	380.80	1.20	-13.35
CCOC(=O)C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)CCC1=NN=N[N-]1	REAL000000009335	0	41	-1.0	-44.57	386.65	6.64	-37.94
CCOC(=O)C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)CCC1=N[N-]N=N1	REAL000000009335	1	41	-1.0	-44.57	386.60	6.64	-37.94
CCOC(=O)C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)CCC1=NNN=N1	REAL000000009335	1	42	0.0	-13.94	389.98	6.65	-7.29
O=C(CCC1=NN=N[N-]1)N1CCC2(CC1)OCC1=CC=CC=C12	REAL000000009337	0	41	-1.0	-40.11	328.09	5.15	-34.96
O=C(CCC1=N[N-]N=N1)N1CCC2(CC1)OCC1=CC=CC=C12	REAL000000009337	1	41	-1.0	-40.11	328.03	5.15	-34.96
O=C(CCC1=NNN=N1)N1CCC2(CC1)OCC1=CC=CC=C12	REAL000000009337	1	42	0.0	-10.47	331.49	5.17	-5.30
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC2(CC1)OCC1=CC=CC=C12	REAL000000009338	0	48	0.0	-15.30	376.44	8.42	-6.88
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2(CC1)OCC1=CC=CC=C12	REAL000000009339	0	45	0.0	-10.02	361.01	6.18	-3.83
COC(=O)C1(C)CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000009340	0	42	0.0	-18.14	339.31	6.22	-11.92
COC(=O)C1(C)CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000009341	0	39	0.0	-10.57	325.75	4.24	-6.33
CCOC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL000000009342	0	37	-1.0	-50.16	325.73	3.15	-47.01
CCOC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL000000009342	1	37	-1.0	-50.14	325.67	3.15	-46.99
CCOC(=O)C1=CC=C(NC(=O)CCCC2=NNN=N2)C=N1	REAL000000009342	1	38	0.0	-18.78	329.10	3.16	-15.62
CCOC(=O)C1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=N1	REAL000000009343	0	41	0.0	-18.86	355.02	5.95	-12.90
CCOC(=O)C1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=N1	REAL000000009344	0	38	0.0	-12.06	339.70	2.94	-9.12
O=C(NC1CCC(=O)C2=CC=CC=C21)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009345	0	39	0.0	-11.72	329.04	4.09	-7.63
O=C(NC1=CNN=C1C1=CC=CC=N1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009346	0	39	0.0	-17.06	334.28	4.89	-12.17
O=C(NC1=CNN=C1C1=CC=CC=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009347	0	36	0.0	-12.40	319.73	1.83	-10.57
O=C(CCCC1=NN=N[N-]1)NC1CCC(O)(C(F)(F)F)CC1	REAL000000009348	0	39	-1.0	-46.95	322.37	1.37	-45.58
O=C(CCCC1=N[N-]N=N1)NC1CCC(O)(C(F)(F)F)CC1	REAL000000009348	1	39	-1.0	-46.94	322.31	1.38	-45.56
O=C(CCCC1=NNN=N1)NC1CCC(O)(C(F)(F)F)CC1	REAL000000009348	1	40	0.0	-14.03	325.74	1.38	-12.65
O=C(CCC1=NN=N[N-]1)NC1CCC(O)(C(F)(F)F)CC1	REAL000000009349	0	36	-1.0	-39.84	300.87	0.59	-39.24
O=C(CCC1=N[N-]N=N1)NC1CCC(O)(C(F)(F)F)CC1	REAL000000009349	1	36	-1.0	-39.83	300.81	0.60	-39.24
O=C(CCC1=NNN=N1)NC1CCC(O)(C(F)(F)F)CC1	REAL000000009349	1	37	0.0	-10.59	308.67	0.19	-10.40
O=C(NC1CCC(O)(C(F)(F)F)CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009350	0	43	0.0	-15.97	355.32	3.83	-12.14
O=C(NC1CCC(O)(C(F)(F)F)CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009351	0	40	0.0	-9.98	336.35	1.17	-8.80
N#CC1=CC=CC(C2=CNC(CNC(=O)CCCC3=NN=N[N-]3)=N2)=C1	REAL000000009352	0	40	-1.0	-55.90	358.95	4.15	-51.75
N#CC1=CC=CC(C2=CNC(CNC(=O)CCCC3=N[N-]N=N3)=N2)=C1	REAL000000009352	1	40	-1.0	-55.89	358.89	4.15	-51.75
N#CC1=CC=CC(C2=CNC(CNC(=O)CCCC3=NNN=N3)=N2)=C1	REAL000000009352	1	41	0.0	-22.44	362.33	4.15	-18.28
N#CC1=CC=CC(C2=CNC(CNC(=O)CCC3=NN=N[N-]3)=N2)=C1	REAL000000009353	0	37	-1.0	-49.42	337.45	3.36	-46.06
N#CC1=CC=CC(C2=CNC(CNC(=O)CCC3=N[N-]N=N3)=N2)=C1	REAL000000009353	1	37	-1.0	-49.42	337.39	3.35	-46.07
N#CC1=CC=CC(C2=CNC(CNC(=O)CCC3=NNN=N3)=N2)=C1	REAL000000009353	1	38	0.0	-18.54	340.83	3.38	-15.16
N#CC1=CC=CC(C2=CNC(CNC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=N2)=C1	REAL000000009354	0	44	0.0	-23.73	387.87	6.97	-16.76
N#CC1=CC=CC(C2=CNC(CNC(=O)C3=CC=C(C4=NNN=N4)C=N3)=N2)=C1	REAL000000009355	0	41	0.0	-18.25	372.92	3.94	-14.32
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC(C2=CSC=C2)O1	REAL000000009356	0	40	-1.0	-47.20	339.80	4.71	-42.50
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC(C2=CSC=C2)O1	REAL000000009356	1	40	-1.0	-47.19	339.74	4.71	-42.49
CC1CN(C(=O)CCCC2=NNN=N2)CC(C2=CSC=C2)O1	REAL000000009356	1	41	0.0	-14.88	343.17	4.71	-10.17
CC1CN(C(=O)CCC2=NN=N[N-]2)CC(C2=CSC=C2)O1	REAL000000009357	0	37	-1.0	-38.56	318.30	3.92	-34.63
CC1CN(C(=O)CCC2=N[N-]N=N2)CC(C2=CSC=C2)O1	REAL000000009357	1	37	-1.0	-38.55	318.25	3.93	-34.63
CC1CN(C(=O)CCC2=NNN=N2)CC(C2=CSC=C2)O1	REAL000000009357	1	38	0.0	-10.28	321.68	3.93	-6.35
CC1CN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC(C2=CSC=C2)O1	REAL000000009358	0	44	0.0	-10.43	368.39	7.11	-3.32
CC1CN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC(C2=CSC=C2)O1	REAL000000009359	0	41	0.0	-9.68	350.78	4.95	-4.73
O=C(CCCC1=NN=N[N-]1)N(CC1=CC=CC=C1)CC1(O)CCCC1	REAL000000009360	0	49	-1.0	-48.04	377.67	6.15	-41.89
O=C(CCCC1=N[N-]N=N1)N(CC1=CC=CC=C1)CC1(O)CCCC1	REAL000000009360	1	49	-1.0	-48.03	377.61	6.14	-41.89
O=C(CCCC1=NNN=N1)N(CC1=CC=CC=C1)CC1(O)CCCC1	REAL000000009360	1	50	0.0	-13.94	381.00	6.13	-7.81
O=C(CCC1=NN=N[N-]1)N(CC1=CC=CC=C1)CC1(O)CCCC1	REAL000000009361	0	46	-1.0	-39.57	357.03	5.26	-34.30
O=C(CCC1=N[N-]N=N1)N(CC1=CC=CC=C1)CC1(O)CCCC1	REAL000000009361	1	46	-1.0	-39.57	356.98	5.26	-34.30
O=C(CCC1=NNN=N1)N(CC1=CC=CC=C1)CC1(O)CCCC1	REAL000000009361	1	47	0.0	-9.60	360.41	5.27	-4.33
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N(CC1=CC=CC=C1)CC1(O)CCCC1	REAL000000009362	0	53	0.0	-13.64	403.08	8.37	-5.28
O=C(C1=CC=C(C2=NNN=N2)C=N1)N(CC1=CC=CC=C1)CC1(O)CCCC1	REAL000000009363	0	50	0.0	-9.06	389.96	7.29	-1.77
CCC(CCO)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009364	0	42	0.0	-17.74	332.20	2.70	-15.04
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1OCC(F)F	REAL000000009365	0	36	-1.0	-51.86	316.75	4.03	-47.83
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1OCC(F)F	REAL000000009365	1	36	-1.0	-51.85	316.69	4.02	-47.83
O=C(CCCC1=NNN=N1)NC1=CC=CC=C1OCC(F)F	REAL000000009365	1	37	0.0	-17.14	320.12	4.04	-13.10
O=C(NC1=CC=CC=C1OCC(F)F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009366	0	40	0.0	-18.89	345.72	6.91	-11.98
O=C(NC1=CC=CC=C1OCC(F)F)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009367	0	37	0.0	-14.04	329.90	3.82	-10.22
CN1C=C(NC(=O)CCCC2=NN=N[N-]2)C(C2=CC=CC=N2)=N1	REAL000000009368	0	38	-1.0	-49.51	328.74	3.34	-46.17
CN1C=C(NC(=O)CCCC2=N[N-]N=N2)C(C2=CC=CC=N2)=N1	REAL000000009368	1	38	-1.0	-49.51	328.69	3.35	-46.16
CN1C=C(NC(=O)CCCC2=NNN=N2)C(C2=CC=CC=N2)=N1	REAL000000009368	1	39	0.0	-16.77	332.11	3.36	-13.42
CN1C=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(C2=CC=CC=N2)=N1	REAL000000009369	0	42	0.0	-18.42	357.64	6.17	-12.25
CN1C=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(C2=CC=CC=N2)=N1	REAL000000009370	0	39	0.0	-13.70	342.68	3.14	-10.56
O=C(CCCC1=NN=N[N-]1)NCCOC1=NC=C(Cl)C=C1Cl	REAL000000009371	0	35	-1.0	-47.11	339.37	1.60	-45.51
O=C(CCCC1=N[N-]N=N1)NCCOC1=NC=C(Cl)C=C1Cl	REAL000000009371	1	35	-1.0	-47.10	339.31	1.59	-45.51
O=C(CCCC1=NNN=N1)NCCOC1=NC=C(Cl)C=C1Cl	REAL000000009371	1	36	0.0	-13.61	342.74	1.61	-12.01
O=C(CCC1=NN=N[N-]1)NCCOC1=NC=C(Cl)C=C1Cl	REAL000000009372	0	32	-1.0	-40.53	317.87	0.81	-39.73
O=C(CCC1=N[N-]N=N1)NCCOC1=NC=C(Cl)C=C1Cl	REAL000000009372	1	32	-1.0	-40.53	317.81	0.81	-39.72
O=C(CCC1=NNN=N1)NCCOC1=NC=C(Cl)C=C1Cl	REAL000000009372	1	33	0.0	-10.24	321.25	0.82	-9.43
O=C(NCCOC1=NC=C(Cl)C=C1Cl)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009373	0	39	0.0	-15.37	367.90	4.45	-10.92
O=C(NCCOC1=NC=C(Cl)C=C1Cl)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009374	0	36	0.0	-9.72	353.34	1.39	-8.33
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CCOCC1	REAL000000009375	0	43	0.0	-15.97	332.66	4.87	-11.10
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCOCC1	REAL000000009376	0	40	0.0	-9.69	323.97	2.06	-7.63
CC1(C2=CC=CC=C2)CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL000000009377	0	43	-1.0	-47.79	340.07	5.68	-42.11
CC1(C2=CC=CC=C2)CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL000000009377	1	43	-1.0	-47.78	340.01	5.68	-42.10
CC1(C2=CC=CC=C2)CN(C(=O)CCCC2=NNN=N2)CCO1	REAL000000009377	1	44	0.0	-15.08	343.40	5.69	-9.39
CC1(C2=CC=CC=C2)CN(C(=O)CCC2=NN=N[N-]2)CCO1	REAL000000009378	0	40	-1.0	-39.26	318.53	4.90	-34.36
CC1(C2=CC=CC=C2)CN(C(=O)CCC2=N[N-]N=N2)CCO1	REAL000000009378	1	40	-1.0	-39.25	318.47	4.89	-34.36
CC1(C2=CC=CC=C2)CN(C(=O)CCC2=NNN=N2)CCO1	REAL000000009378	1	41	0.0	-10.60	321.90	4.90	-5.70
CC1(C2=CC=CC=C2)CN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCO1	REAL000000009379	0	47	0.0	-16.62	366.38	8.09	-8.53
CC1(C2=CC=CC=C2)CN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CCO1	REAL000000009380	0	44	0.0	-9.68	351.07	5.94	-3.74
CC1(O)CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000009381	0	40	0.0	-15.71	312.74	3.52	-12.18
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(OCC[NH+]2CCCCC2)C=C1	REAL000000009382	0	52	0.0	-72.52	402.79	6.91	-65.61
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(OCC[NH+]2CCCCC2)C=C1	REAL000000009382	1	52	0.0	-72.51	402.73	6.90	-65.61
O=C(CCCC1=NNN=N1)NC1=CC=C(OCC[NH+]2CCCCC2)C=C1	REAL000000009382	1	53	1.0	-46.78	406.17	6.92	-39.86
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OCC[NH+]2CCCCC2)C=C1	REAL000000009383	0	49	0.0	-64.90	381.29	6.12	-58.79
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OCC[NH+]2CCCCC2)C=C1	REAL000000009383	1	49	0.0	-64.90	381.23	6.12	-58.78
O=C(CCC1=NNN=N1)NC1=CC=C(OCC[NH+]2CCCCC2)C=C1	REAL000000009383	1	50	1.0	-42.90	384.67	6.13	-36.77
O=C(NC1=CC=C(OCC[NH+]2CCCCC2)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009384	0	53	1.0	-40.41	416.76	6.70	-33.70
CC(C)CCC1CCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009385	0	48	0.0	-14.94	359.54	8.51	-6.43
CC(C)CCC1CCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009386	0	45	0.0	-9.34	351.71	6.63	-2.71
CCCC(C)C1CCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009387	0	48	0.0	-16.71	354.83	8.58	-8.13
CCCC(C)C1CCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009388	0	45	0.0	-9.38	345.89	7.04	-2.34
O=C(CCCC1=NN=N[N-]1)NC1=NN(C2=NC=CC=C2C(F)(F)F)C=C1	REAL000000009389	0	38	-1.0	-52.51	338.86	6.19	-46.32
O=C(CCCC1=N[N-]N=N1)NC1=NN(C2=NC=CC=C2C(F)(F)F)C=C1	REAL000000009389	1	38	-1.0	-52.50	338.81	6.19	-46.31
O=C(CCCC1=NNN=N1)NC1=NN(C2=NC=CC=C2C(F)(F)F)C=C1	REAL000000009389	1	39	0.0	-19.41	342.22	6.20	-13.22
O=C(CCC1=NN=N[N-]1)NC1=NN(C2=NC=CC=C2C(F)(F)F)C=C1	REAL000000009390	0	35	-1.0	-45.71	317.35	5.41	-40.30
O=C(CCC1=N[N-]N=N1)NC1=NN(C2=NC=CC=C2C(F)(F)F)C=C1	REAL000000009390	1	35	-1.0	-45.70	317.29	5.40	-40.30
O=C(CCC1=NNN=N1)NC1=NN(C2=NC=CC=C2C(F)(F)F)C=C1	REAL000000009390	1	36	0.0	-15.75	320.76	5.42	-10.33
O=C(CCCC1=NN=N[N-]1)N[C@@H](CC1=CC=CC=C1)C(=O)OC1CCCC1	REAL000000009391	0	51	-1.0	-45.78	411.73	7.83	-37.95
O=C(CCCC1=N[N-]N=N1)N[C@@H](CC1=CC=CC=C1)C(=O)OC1CCCC1	REAL000000009391	1	51	-1.0	-45.76	411.67	7.82	-37.94
O=C(CCCC1=NNN=N1)N[C@@H](CC1=CC=CC=C1)C(=O)OC1CCCC1	REAL000000009391	1	52	0.0	-12.20	414.90	7.84	-4.36
O=C(CCC1=NN=N[N-]1)N[C@@H](CC1=CC=CC=C1)C(=O)OC1CCCC1	REAL000000009392	0	48	-1.0	-40.28	390.03	7.05	-33.23
O=C(CCC1=N[N-]N=N1)N[C@@H](CC1=CC=CC=C1)C(=O)OC1CCCC1	REAL000000009392	1	48	-1.0	-40.27	389.98	7.04	-33.23
O=C(CCC1=NNN=N1)N[C@@H](CC1=CC=CC=C1)C(=O)OC1CCCC1	REAL000000009392	1	49	0.0	-9.43	393.46	7.06	-2.37
CC1=CNC(C2=CC=CC=C2NC(=O)CCCC2=NN=N[N-]2)=N1	REAL000000009393	0	39	-1.0	-51.04	329.10	5.31	-45.72
CC1=CNC(C2=CC=CC=C2NC(=O)CCCC2=N[N-]N=N2)=N1	REAL000000009393	1	39	-1.0	-51.03	329.04	5.31	-45.73
CC1=CNC(C2=CC=CC=C2NC(=O)CCCC2=NNN=N2)=N1	REAL000000009393	1	40	0.0	-15.80	332.48	5.33	-10.48
CC1=CNC(C2=CC=CC=C2NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000009394	0	43	0.0	-18.50	357.22	8.17	-10.33
CC1=CNC(C2=CC=CC=C2NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000009395	0	40	0.0	-14.04	343.05	5.11	-8.93
O=C(NC1=CC=C(OCCO)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009396	0	41	0.0	-19.27	345.06	3.32	-15.94
O=C(NC1=CC=C(OCCO)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009397	0	38	0.0	-12.49	329.76	0.32	-12.18
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCOC(CO)C1	REAL000000009400	0	38	0.0	-13.14	308.14	1.26	-11.88
COC1=CC=C(O)C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009401	0	41	0.0	-18.00	347.63	2.77	-15.23
COC1=CC=C(O)C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000009402	0	38	0.0	-11.16	332.67	-0.26	-11.42
CN(C(=O)CCCC1=NN=N[N-]1)C(CCO)C1=CC=CC=C1	REAL000000009403	0	42	-1.0	-47.73	340.20	4.28	-43.44
CN(C(=O)CCCC1=N[N-]N=N1)C(CCO)C1=CC=CC=C1	REAL000000009403	1	42	-1.0	-47.72	340.14	4.28	-43.45
CN(C(=O)CCCC1=NNN=N1)C(CCO)C1=CC=CC=C1	REAL000000009403	1	43	0.0	-14.52	343.69	4.32	-10.21
CN(C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(CCO)C1=CC=CC=C1	REAL000000009404	0	46	0.0	-17.83	365.93	5.82	-12.01
CN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C(CCO)C1=CC=CC=C1	REAL000000009405	0	43	0.0	-9.83	350.88	4.57	-5.26
CCC(CO)NC(=O)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL000000009406	0	49	-1.0	-54.29	407.11	1.71	-52.58
CCC(CO)NC(=O)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL000000009406	1	49	-1.0	-54.28	407.05	1.71	-52.56
CCC(CO)NC(=O)CC1=CC=C(NC(=O)CCCC2=NNN=N2)C=C1	REAL000000009406	1	50	0.0	-20.45	410.76	1.71	-18.74
CCC(CO)NC(=O)CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL000000009407	0	46	-1.0	-47.02	378.47	0.63	-46.39
CCC(CO)NC(=O)CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL000000009407	1	46	-1.0	-47.01	378.41	0.62	-46.39
CCC(CO)NC(=O)CC1=CC=C(NC(=O)CCC2=NNN=N2)C=C1	REAL000000009407	1	47	0.0	-16.26	389.26	0.93	-15.33
CCC(CO)NC(=O)CC1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000009408	0	50	0.0	-16.41	421.35	1.49	-14.92
O=C(NCC1=CC=C(O)C(F)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009409	0	37	0.0	-16.78	324.92	3.54	-13.24
O=C(NCC1=CC=C(O)C(F)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009410	0	34	0.0	-11.21	310.36	0.48	-10.73
O=C(CCCC1=NN=N[N-]1)NC1C[N@@H+](CC2=CC=CC=C2)CCC1CO	REAL000000009411	0	52	0.0	-63.62	396.26	3.51	-60.10
O=C(CCCC1=NN=N[N-]1)NC1C[N@H+](CC2=CC=CC=C2)CCC1CO	REAL000000009411	1	52	0.0	-65.22	407.31	4.11	-61.11
O=C(CCCC1=N[N-]N=N1)NC1C[N@@H+](CC2=CC=CC=C2)CCC1CO	REAL000000009411	1	52	0.0	-63.59	396.20	3.50	-60.09
O=C(CCCC1=N[N-]N=N1)NC1C[N@H+](CC2=CC=CC=C2)CCC1CO	REAL000000009411	1	52	0.0	-65.19	407.25	4.11	-61.09
O=C(CCC1=NN=N[N-]1)NC1C[N@@H+](CC2=CC=CC=C2)CCC1CO	REAL000000009412	0	49	0.0	-58.61	385.86	3.33	-55.28
O=C(CCC1=NN=N[N-]1)NC1C[N@H+](CC2=CC=CC=C2)CCC1CO	REAL000000009412	1	49	0.0	-58.87	381.13	3.82	-55.04
O=C(CCC1=N[N-]N=N1)NC1C[N@@H+](CC2=CC=CC=C2)CCC1CO	REAL000000009412	1	49	0.0	-58.60	385.81	3.33	-55.27
O=C(CCC1=N[N-]N=N1)NC1C[N@H+](CC2=CC=CC=C2)CCC1CO	REAL000000009412	1	49	0.0	-58.85	381.07	3.82	-55.03
O=C(NC1C[N@@H+](CC2=CC=CC=C2)CCC1CO)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009413	0	53	1.0	-41.90	412.00	3.56	-38.34
O=C(NC1C[N@H+](CC2=CC=CC=C2)CCC1CO)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009413	1	53	1.0	-40.42	410.31	3.30	-37.12
O=C(NC1CN(CC2=CC=CC=C2)CCC1CO)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009413	1	52	0.0	-9.90	418.06	1.50	-8.40
CCOC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(O)=C1	REAL000000009414	0	42	-1.0	-47.66	364.90	2.75	-44.90
CCOC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(O)=C1	REAL000000009414	1	42	-1.0	-47.64	364.85	2.75	-44.89
CCOC(=O)C(NC(=O)CCCC1=NNN=N1)C1=CC=CC(O)=C1	REAL000000009414	1	43	0.0	-18.24	367.05	2.63	-15.61
CCOC(=O)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(O)=C1	REAL000000009415	0	39	-1.0	-44.34	342.16	1.84	-42.50
CCOC(=O)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(O)=C1	REAL000000009415	1	39	-1.0	-44.34	342.10	1.83	-42.51
CCOC(=O)C(NC(=O)CCC1=NNN=N1)C1=CC=CC(O)=C1	REAL000000009415	1	40	0.0	-12.24	346.79	1.97	-10.27
CCOC(=O)C(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC(O)=C1	REAL000000009416	0	46	0.0	-16.17	393.43	5.61	-10.56
CCOC(=O)C(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC(O)=C1	REAL000000009417	0	43	0.0	-13.57	377.63	2.41	-11.16
O=C(NCC1=CC=C(O)C(O)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009418	0	35	0.0	-12.29	314.89	-1.67	-13.95
O=C(CCCC1=NN=N[N-]1)NCC1=C(O)C=CC2=C1CCCC2	REAL000000009419	0	43	-1.0	-48.48	347.07	3.01	-45.47
O=C(CCCC1=N[N-]N=N1)NCC1=C(O)C=CC2=C1CCCC2	REAL000000009419	1	43	-1.0	-48.47	347.01	3.00	-45.48
O=C(CCCC1=NNN=N1)NCC1=C(O)C=CC2=C1CCCC2	REAL000000009419	1	44	0.0	-15.08	350.44	3.02	-12.06
O=C(CCC1=NN=N[N-]1)NCC1=C(O)C=CC2=C1CCCC2	REAL000000009420	0	40	-1.0	-40.61	325.57	2.23	-38.39
O=C(CCC1=N[N-]N=N1)NCC1=C(O)C=CC2=C1CCCC2	REAL000000009420	1	40	-1.0	-40.62	325.51	2.22	-38.40
O=C(CCC1=NNN=N1)NCC1=C(O)C=CC2=C1CCCC2	REAL000000009420	1	41	0.0	-10.98	328.95	2.24	-8.74
O=C(NCC1=C(O)C=CC2=C1CCCC2)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009421	0	47	0.0	-16.46	375.58	5.86	-10.60
O=C(NCC1=C(O)C=CC2=C1CCCC2)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009422	0	44	0.0	-9.95	361.04	2.80	-7.15
O=C(CCCC1=NN=N[N-]1)N1CCCC(NC2=CC=CC=C2)C1	REAL000000009423	0	44	-1.0	-48.41	349.82	5.46	-42.95
O=C(CCCC1=N[N-]N=N1)N1CCCC(NC2=CC=CC=C2)C1	REAL000000009423	1	44	-1.0	-48.40	349.77	5.47	-42.93
O=C(CCCC1=NNN=N1)N1CCCC(NC2=CC=CC=C2)C1	REAL000000009423	1	45	0.0	-15.38	353.19	5.49	-9.90
O=C(CCC1=NN=N[N-]1)N1CCCC(NC2=CC=CC=C2)C1	REAL000000009424	0	41	-1.0	-41.85	327.97	4.67	-37.17
O=C(CCC1=N[N-]N=N1)N1CCCC(NC2=CC=CC=C2)C1	REAL000000009424	1	41	-1.0	-41.85	327.91	4.67	-37.18
O=C(CCC1=NNN=N1)N1CCCC(NC2=CC=CC=C2)C1	REAL000000009424	1	42	0.0	-11.74	331.43	4.69	-7.05
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCCC(NC2=CC=CC=C2)C1	REAL000000009425	0	48	0.0	-18.56	375.76	7.95	-10.61
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCCC(NC2=CC=CC=C2)C1	REAL000000009426	0	45	0.0	-10.93	360.61	5.69	-5.24
NC1=NC=NC=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009427	0	36	0.0	-15.24	309.94	3.14	-12.11
O=C(CCCC1=NN=N[N-]1)N1CCN(C2=CC=CC=C2O)CC1	REAL000000009428	0	42	-1.0	-48.05	340.59	2.04	-46.00
O=C(CCCC1=N[N-]N=N1)N1CCN(C2=CC=CC=C2O)CC1	REAL000000009428	1	42	-1.0	-48.03	340.53	2.04	-45.99
O=C(CCCC1=NNN=N1)N1CCN(C2=CC=CC=C2O)CC1	REAL000000009428	1	43	0.0	-14.75	338.92	2.01	-12.74
O=C(CCC1=NN=N[N-]1)N1CCN(C2=CC=CC=C2O)CC1	REAL000000009429	0	39	-1.0	-40.61	319.09	1.26	-39.35
O=C(CCC1=N[N-]N=N1)N1CCN(C2=CC=CC=C2O)CC1	REAL000000009429	1	39	-1.0	-40.61	319.03	1.26	-39.35
O=C(CCC1=NNN=N1)N1CCN(C2=CC=CC=C2O)CC1	REAL000000009429	1	40	0.0	-10.89	322.47	1.27	-9.62
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCN(C2=CC=CC=C2O)CC1	REAL000000009430	0	46	0.0	-17.41	367.20	4.53	-12.88
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCN(C2=CC=CC=C2O)CC1	REAL000000009431	0	43	0.0	-10.57	351.99	2.26	-8.32
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(O)C(Br)=C1	REAL000000009432	0	33	-1.0	-47.25	310.58	1.28	-45.97
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(O)C(Br)=C1	REAL000000009432	1	33	-1.0	-47.24	310.52	1.28	-45.96
O=C(CCCC1=NNN=N1)NCC1=CC=C(O)C(Br)=C1	REAL000000009432	1	34	0.0	-14.45	313.96	1.29	-13.16
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(O)C(Br)=C1	REAL000000009433	0	30	-1.0	-40.41	289.08	0.50	-39.92
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(O)C(Br)=C1	REAL000000009433	1	30	-1.0	-40.41	289.02	0.50	-39.91
O=C(CCC1=NNN=N1)NCC1=CC=C(O)C(Br)=C1	REAL000000009433	1	31	0.0	-11.08	292.46	0.51	-10.57
O=C(NCC1=CC=C(O)C(Br)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009434	0	37	0.0	-15.78	339.11	4.14	-11.64
O=C(NCC1=CC=C(O)C(Br)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009435	0	34	0.0	-10.21	324.55	1.08	-9.13
CN(CC1=CC=CC(OC(F)(F)F)=C1)C(=O)CCCC1=NN=N[N-]1	REAL000000009436	0	39	-1.0	-51.59	342.29	5.39	-46.20
CN(CC1=CC=CC(OC(F)(F)F)=C1)C(=O)CCCC1=N[N-]N=N1	REAL000000009436	1	39	-1.0	-51.58	342.23	5.38	-46.20
CN(CC1=CC=CC(OC(F)(F)F)=C1)C(=O)CCCC1=NNN=N1	REAL000000009436	1	40	0.0	-13.45	345.39	5.39	-8.05
CN(CC1=CC=CC(OC(F)(F)F)=C1)C(=O)CCC1=NN=N[N-]1	REAL000000009437	0	36	-1.0	-42.98	320.79	4.60	-38.38
CN(CC1=CC=CC(OC(F)(F)F)=C1)C(=O)CCC1=N[N-]N=N1	REAL000000009437	1	36	-1.0	-42.98	320.74	4.60	-38.38
CN(CC1=CC=CC(OC(F)(F)F)=C1)C(=O)CCC1=NNN=N1	REAL000000009437	1	37	0.0	-12.30	324.17	4.61	-7.69
CN(CC1=CC=CC(OC(F)(F)F)=C1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009438	0	43	0.0	-15.30	369.73	7.87	-7.43
CN(CC1=CC=CC(OC(F)(F)F)=C1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009439	0	40	0.0	-11.58	352.98	5.74	-5.84
CCNC1=CC=C(S(=O)(=O)C(F)(F)F)C=C1NC(=O)CCC1=NN=N[N-]1	REAL000000009440	0	40	-1.0	-44.65	365.95	0.63	-44.02
CCNC1=CC=C(S(=O)(=O)C(F)(F)F)C=C1NC(=O)CCC1=N[N-]N=N1	REAL000000009440	1	40	-1.0	-44.65	365.89	0.63	-44.01
CCNC1=CC=C(S(=O)(=O)C(F)(F)F)C=C1NC(=O)CCC1=NNN=N1	REAL000000009440	1	41	0.0	-15.49	369.33	0.64	-14.85
CCNC1=CC=C(C(=O)OCC)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000009441	0	46	-1.0	-57.63	383.42	4.87	-52.76
CCNC1=CC=C(C(=O)OCC)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000009441	1	46	-1.0	-57.61	383.36	4.87	-52.73
CCNC1=CC=C(C(=O)OCC)C=C1NC(=O)CCCC1=NNN=N1	REAL000000009441	1	47	0.0	-22.09	386.80	4.88	-17.20
CCNC1=CC=C(C(=O)OCC)C=C1NC(=O)CCC1=NN=N[N-]1	REAL000000009442	0	43	-1.0	-47.58	361.94	4.09	-43.48
CCNC1=CC=C(C(=O)OCC)C=C1NC(=O)CCC1=N[N-]N=N1	REAL000000009442	1	43	-1.0	-47.57	361.88	4.09	-43.48
CCNC1=CC=C(C(=O)OCC)C=C1NC(=O)CCC1=NNN=N1	REAL000000009442	1	44	0.0	-17.26	365.31	4.10	-13.16
CCNC1=CC=C(C(=O)OCC)C=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009443	0	50	0.0	-23.97	412.45	7.75	-16.22
CCNC1=CC=C(C(=O)OCC)C=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009444	0	47	0.0	-15.52	397.42	4.66	-10.85
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=CC=C1NCC1=CC=CC=C1	REAL000000009445	0	44	-1.0	-49.43	383.64	6.78	-42.65
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=CC=C1NCC1=CC=CC=C1	REAL000000009445	1	44	-1.0	-49.42	383.59	6.78	-42.63
O=C(CCCC1=NNN=N1)NC1=CC(Cl)=CC=C1NCC1=CC=CC=C1	REAL000000009445	1	45	0.0	-15.74	387.02	6.79	-8.94
O=C(CCC1=NN=N[N-]1)NC1=CC(Cl)=CC=C1NCC1=CC=CC=C1	REAL000000009446	0	41	-1.0	-41.07	362.15	6.00	-35.07
O=C(CCC1=N[N-]N=N1)NC1=CC(Cl)=CC=C1NCC1=CC=CC=C1	REAL000000009446	1	41	-1.0	-41.07	362.09	5.99	-35.07
O=C(CCC1=NNN=N1)NC1=CC(Cl)=CC=C1NCC1=CC=CC=C1	REAL000000009446	1	42	0.0	-11.50	365.52	6.01	-5.49
O=C(CCC1=NN=N[N-]1)NC1=CC(C(F)(F)F)=CC=C1NCC1=CC=CC=C1	REAL000000009447	0	44	-1.0	-42.08	384.45	6.50	-35.58
O=C(CCC1=N[N-]N=N1)NC1=CC(C(F)(F)F)=CC=C1NCC1=CC=CC=C1	REAL000000009447	1	44	-1.0	-42.08	384.39	6.49	-35.59
O=C(CCC1=NNN=N1)NC1=CC(C(F)(F)F)=CC=C1NCC1=CC=CC=C1	REAL000000009447	1	45	0.0	-12.55	387.83	6.51	-6.04
CCNC1=CC=C(S(=O)(=O)N(CC)CC)C=C1NC(=O)CCC1=NN=N[N-]1	REAL000000009448	0	51	-1.0	-46.25	422.23	2.26	-43.99
CCNC1=CC=C(S(=O)(=O)N(CC)CC)C=C1NC(=O)CCC1=N[N-]N=N1	REAL000000009448	1	51	-1.0	-46.25	422.17	2.25	-44.01
CCNC1=CC=C(S(=O)(=O)N(CC)CC)C=C1NC(=O)CCC1=NNN=N1	REAL000000009448	1	52	0.0	-18.92	424.63	2.25	-16.67
CC1=CC=CC(C(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009449	0	43	0.0	-16.30	358.53	4.62	-11.68
CC1=CC=CC(C(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000009450	0	40	0.0	-10.14	343.49	1.63	-8.51
O=C(CCCC1=NN=N[N-]1)NCC(CO)CC1=CC=C(OC(F)(F)F)C=C1	REAL000000009451	0	46	-1.0	-47.91	391.05	2.63	-45.27
O=C(CCCC1=N[N-]N=N1)NCC(CO)CC1=CC=C(OC(F)(F)F)C=C1	REAL000000009451	1	46	-1.0	-47.89	391.00	2.62	-45.27
O=C(CCCC1=NNN=N1)NCC(CO)CC1=CC=C(OC(F)(F)F)C=C1	REAL000000009451	1	47	0.0	-14.92	394.44	2.64	-12.28
O=C(CCC1=NN=N[N-]1)NCC(CO)CC1=CC=C(OC(F)(F)F)C=C1	REAL000000009452	0	43	-1.0	-41.53	369.56	1.84	-39.69
O=C(CCC1=N[N-]N=N1)NCC(CO)CC1=CC=C(OC(F)(F)F)C=C1	REAL000000009452	1	43	-1.0	-41.53	369.50	1.84	-39.69
O=C(CCC1=NNN=N1)NCC(CO)CC1=CC=C(OC(F)(F)F)C=C1	REAL000000009452	1	44	0.0	-12.20	371.96	1.84	-10.35
COC1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(C)=N1	REAL000000009453	0	39	0.0	-16.92	328.00	3.82	-13.10
COC1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(C)=N1	REAL000000009454	0	36	0.0	-10.12	312.13	0.69	-9.43
CC1=CC=CC(C(O)CN(CC2=CC=CC=C2)C(=O)CCCC2=NN=N[N-]2)=C1	REAL000000009455	0	52	-1.0	-48.78	420.28	7.92	-40.86
CC1=CC=CC(C(O)CN(CC2=CC=CC=C2)C(=O)CCCC2=N[N-]N=N2)=C1	REAL000000009455	1	52	-1.0	-48.77	420.22	7.91	-40.86
CC1=CC=CC(C(O)CN(CC2=CC=CC=C2)C(=O)CCCC2=NNN=N2)=C1	REAL000000009455	1	53	0.0	-16.45	422.17	7.75	-8.71
CC1=CC=CC(C(O)CN(CC2=CC=CC=C2)C(=O)CCC2=NN=N[N-]2)=C1	REAL000000009456	0	49	-1.0	-42.93	396.38	7.79	-35.14
CC1=CC=CC(C(O)CN(CC2=CC=CC=C2)C(=O)CCC2=N[N-]N=N2)=C1	REAL000000009456	1	49	-1.0	-42.92	396.32	7.79	-35.14
CC1=CC=CC(C(O)CN(CC2=CC=CC=C2)C(=O)CCC2=NNN=N2)=C1	REAL000000009456	1	50	0.0	-12.27	400.66	6.97	-5.30
COC(=O)CCC1=CSC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL000000009457	0	37	-1.0	-47.21	335.94	3.69	-43.52
COC(=O)CCC1=CSC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL000000009457	1	37	-1.0	-47.19	335.88	3.69	-43.50
COC(=O)CCC1=CSC(NC(=O)CCCC2=NNN=N2)=N1	REAL000000009457	1	38	0.0	-16.13	339.31	3.70	-12.43
COC(=O)CCC1=CSC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL000000009458	0	34	-1.0	-39.76	314.43	2.91	-36.85
COC(=O)CCC1=CSC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL000000009458	1	34	-1.0	-39.75	314.37	2.90	-36.84
COC(=O)CCC1=CSC(NC(=O)CCC2=NNN=N2)=N1	REAL000000009458	1	35	0.0	-12.53	317.80	2.92	-9.61
COC(=O)CCC1=CSC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000009459	0	41	0.0	-16.00	364.44	6.55	-9.44
COC(=O)CCC1=CSC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000009460	0	38	0.0	-11.11	349.88	3.48	-7.62
CC(C)COC1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000009461	0	46	0.0	-12.45	364.67	6.67	-5.78
CC(C)COC1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000009462	0	43	0.0	-10.22	349.72	4.58	-5.64
CCOC1=CC(Cl)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000009463	0	36	-1.0	-45.61	320.46	4.24	-41.37
CCOC1=CC(Cl)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000009463	1	36	-1.0	-45.60	320.40	4.24	-41.36
CCOC1=CC(Cl)=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000009463	1	37	0.0	-12.68	323.02	4.25	-8.43
CCOC1=CC(Cl)=CC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009464	0	40	0.0	-13.58	348.80	7.11	-6.46
CCOC1=CC(Cl)=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009465	0	37	0.0	-8.40	334.45	4.03	-4.36
CCOC1=CC=NC(N2CCCN(C(=O)CCCC3=NN=N[N-]3)CC2)=N1	REAL000000009466	0	49	-1.0	-49.73	387.26	5.29	-44.44
CCOC1=CC=NC(N2CCCN(C(=O)CCCC3=N[N-]N=N3)CC2)=N1	REAL000000009466	1	49	-1.0	-49.72	387.20	5.29	-44.43
CCOC1=CC=NC(N2CCCN(C(=O)CCCC3=NNN=N3)CC2)=N1	REAL000000009466	1	50	0.0	-16.33	390.63	5.30	-11.04
CCOC1=CC=NC(N2CCCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL000000009467	0	46	-1.0	-43.02	365.76	4.51	-38.52
CCOC1=CC=NC(N2CCCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL000000009467	1	46	-1.0	-43.02	365.70	4.51	-38.51
CCOC1=CC=NC(N2CCCN(C(=O)CCC3=NNN=N3)CC2)=N1	REAL000000009467	1	47	0.0	-12.18	369.14	4.52	-7.66
CCOC1=CC=NC(N2CCCN(C(=O)C3=CC=C(C4=NNN=N4)C=N3)CC2)=N1	REAL000000009468	0	50	0.0	-12.03	398.15	5.85	-6.18
CC1=CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CN(C)C1=O	REAL000000009469	0	39	0.0	-23.51	330.40	5.68	-17.83
CC1=CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=CN(C)C1=O	REAL000000009470	0	36	0.0	-16.12	315.91	2.61	-13.50
COC(=O)CN(C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CCCC1	REAL000000009471	0	45	0.0	-15.65	355.15	8.23	-7.42
COC(=O)CN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCCC1	REAL000000009472	0	42	0.0	-12.54	339.84	6.30	-6.23
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=CC=CC=C2C(F)(F)F)CC1	REAL000000009473	0	45	-1.0	-47.53	367.12	7.90	-39.63
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=CC=CC=C2C(F)(F)F)CC1	REAL000000009473	1	45	-1.0	-47.53	367.06	7.90	-39.63
O=C(CCCC1=NNN=N1)N1CCC(C2=CC=CC=C2C(F)(F)F)CC1	REAL000000009473	1	46	0.0	-14.99	370.50	7.91	-7.08
O=C(CCC1=NN=N[N-]1)N1CCC(C2=CC=CC=C2C(F)(F)F)CC1	REAL000000009474	0	42	-1.0	-39.71	345.62	7.12	-32.59
O=C(CCC1=N[N-]N=N1)N1CCC(C2=CC=CC=C2C(F)(F)F)CC1	REAL000000009474	1	42	-1.0	-39.71	345.56	7.12	-32.59
O=C(CCC1=NNN=N1)N1CCC(C2=CC=CC=C2C(F)(F)F)CC1	REAL000000009474	1	43	0.0	-10.45	349.00	7.13	-3.32
CC(C)CN(C(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL000000009475	0	41	-1.0	-46.34	345.83	7.54	-38.80
CC(C)CN(C(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL000000009475	1	41	-1.0	-46.32	345.77	7.53	-38.79
CC(C)CN(C(=O)CCCC1=NNN=N1)C1=CC=C(Cl)C=C1	REAL000000009475	1	42	0.0	-13.84	339.86	7.32	-6.52
CC(C)CN(C(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL000000009476	0	38	-1.0	-38.39	324.31	6.76	-31.64
CC(C)CN(C(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL000000009476	1	38	-1.0	-38.39	324.26	6.75	-31.64
CC(C)CN(C(=O)CCC1=NNN=N1)C1=CC=C(Cl)C=C1	REAL000000009476	1	39	0.0	-9.58	327.69	6.77	-2.81
CC(C)CN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=C(Cl)C=C1	REAL000000009477	0	42	0.0	-8.55	344.86	7.94	-0.61
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2=NC3=CC(F)=C(F)C=C3N2)C=C1	REAL000000009478	0	42	-1.0	-49.23	371.39	6.06	-43.17
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2=NC3=CC(F)=C(F)C=C3N2)C=C1	REAL000000009478	1	42	-1.0	-49.22	371.33	6.06	-43.16
O=C(CCCC1=NNN=N1)NC1=CC=C(C2=NC3=CC(F)=C(F)C=C3N2)C=C1	REAL000000009478	1	43	0.0	-17.98	374.76	6.07	-11.90
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C2=NC3=CC(F)=C(F)C=C3N2)C=C1	REAL000000009479	0	39	-1.0	-41.62	349.89	5.28	-36.34
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C2=NC3=CC(F)=C(F)C=C3N2)C=C1	REAL000000009479	1	39	-1.0	-41.61	349.83	5.28	-36.33
O=C(CCC1=NNN=N1)NC1=CC=C(C2=NC3=CC(F)=C(F)C=C3N2)C=C1	REAL000000009479	1	40	0.0	-14.26	353.26	5.29	-8.97
O=C(CCCC1=NN=N[N-]1)NC1COC2=CC=C(Cl)C=C21	REAL000000009480	0	34	-1.0	-44.88	309.64	3.19	-41.69
O=C(CCCC1=N[N-]N=N1)NC1COC2=CC=C(Cl)C=C21	REAL000000009480	1	34	-1.0	-44.86	309.58	3.19	-41.67
O=C(CCCC1=NNN=N1)NC1COC2=CC=C(Cl)C=C21	REAL000000009480	1	35	0.0	-12.25	313.01	3.20	-9.05
O=C(NC1COC2=CC=C(Cl)C=C21)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009481	0	38	0.0	-13.25	338.17	6.06	-7.19
O=C(NC1COC2=CC=C(Cl)C=C21)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009482	0	35	0.0	-8.30	323.62	2.98	-5.32
CC1=CC=C(Cl)C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009483	0	36	0.0	-13.74	318.46	7.57	-6.18
CC1=CC=C(Cl)C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000009484	0	33	0.0	-8.52	303.41	4.48	-4.04
C=C(C)COCCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009485	0	40	0.0	-15.73	335.53	4.86	-10.87
CCCOC1=CC(F)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000009486	0	39	-1.0	-45.28	330.83	4.60	-40.68
CCCOC1=CC(F)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000009486	1	39	-1.0	-45.27	330.77	4.60	-40.67
CCCOC1=CC(F)=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000009486	1	40	0.0	-12.74	334.20	4.61	-8.13
CCCOC1=CC(F)=CC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009487	0	43	0.0	-13.57	359.95	7.48	-6.09
CCCOC1=CC(F)=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009488	0	40	0.0	-8.24	344.80	4.39	-3.84
CC(C)C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL000000009489	0	49	-1.0	-44.19	376.78	5.34	-38.85
CC(C)C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL000000009489	1	49	-1.0	-44.17	376.72	5.33	-38.84
CC(C)C[C@@H](NC(=O)CCCC1=NNN=N1)C(=O)OC(C)(C)C	REAL000000009489	1	50	0.0	-10.76	380.16	5.35	-5.41
CC(C)C[C@@H](NC(=O)CCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL000000009490	0	46	-1.0	-38.65	355.28	4.56	-34.09
CC(C)C[C@@H](NC(=O)CCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL000000009490	1	46	-1.0	-38.64	355.22	4.55	-34.09
CC(C)C[C@@H](NC(=O)CCC1=NNN=N1)C(=O)OC(C)(C)C	REAL000000009490	1	47	0.0	-8.41	364.96	4.72	-3.68
CC(C)C[C@@H](NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(=O)OC(C)(C)C	REAL000000009491	0	53	0.0	-11.71	405.29	8.20	-3.50
CC(C)C[C@@H](NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(=O)OC(C)(C)C	REAL000000009492	0	50	0.0	-8.33	397.37	5.30	-3.03
CN1C=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1C(N)=O	REAL000000009493	0	38	0.0	-19.94	321.07	2.46	-17.49
CN1C=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1C(N)=O	REAL000000009494	0	35	0.0	-13.70	306.82	-0.61	-14.30
NC(=O)C1=CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CN1	REAL000000009495	0	35	0.0	-18.46	303.00	0.78	-17.68
O=C(NCC(O)CN1CCCC1=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009496	0	41	0.0	-16.04	349.88	-1.04	-17.08
O=C(CCCC1=NN=N[N-]1)N1CC(C2=NC3=CC=CC=C3N2)C1	REAL000000009497	0	39	-1.0	-53.41	331.50	4.51	-48.90
O=C(CCCC1=N[N-]N=N1)N1CC(C2=NC3=CC=CC=C3N2)C1	REAL000000009497	1	39	-1.0	-53.39	331.45	4.51	-48.88
O=C(CCCC1=NNN=N1)N1CC(C2=NC3=CC=CC=C3N2)C1	REAL000000009497	1	40	0.0	-21.00	334.77	4.60	-16.41
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CC(C2=NC3=CC=CC=C3N2)C1	REAL000000009498	0	43	0.0	-23.03	356.41	6.89	-16.14
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CC(C2=NC3=CC=CC=C3N2)C1	REAL000000009499	0	40	0.0	-14.85	342.68	4.55	-10.30
CC(CC1=NC2=CC=CC=C2S1)NC(=O)CCCC1=NN=N[N-]1	REAL000000009500	0	40	-1.0	-50.19	352.57	4.57	-45.62
CC(CC1=NC2=CC=CC=C2S1)NC(=O)CCCC1=N[N-]N=N1	REAL000000009500	1	40	-1.0	-50.18	352.51	4.56	-45.62
CC(CC1=NC2=CC=CC=C2S1)NC(=O)CCCC1=NNN=N1	REAL000000009500	1	41	0.0	-15.96	355.95	4.58	-11.38
CC(CC1=NC2=CC=CC=C2S1)NC(=O)CCC1=NN=N[N-]1	REAL000000009501	0	37	-1.0	-44.98	330.53	3.81	-41.17
CC(CC1=NC2=CC=CC=C2S1)NC(=O)CCC1=N[N-]N=N1	REAL000000009501	1	37	-1.0	-44.98	330.47	3.81	-41.16
CC(CC1=NC2=CC=CC=C2S1)NC(=O)CCC1=NNN=N1	REAL000000009501	1	38	0.0	-12.40	334.45	3.80	-8.60
CC(CC1=NC2=CC=CC=C2S1)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009502	0	44	0.0	-21.52	380.56	7.46	-14.06
CC(CC1=NC2=CC=CC=C2S1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009503	0	41	0.0	-14.04	366.00	4.39	-9.66
O=C(NCCN1C=CC=CC1=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009504	0	39	0.0	-26.85	332.97	5.41	-21.44
O=C(NCCN1C=CC=CC1=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009505	0	36	0.0	-19.33	318.42	2.34	-16.99
NC(=O)C1=CC=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=N1	REAL000000009506	0	39	0.0	-18.44	339.48	1.38	-17.06
NC(=O)C1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=N1	REAL000000009507	0	36	0.0	-13.07	324.92	-1.68	-14.75
CC(C)(C)OC1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000009510	0	49	0.0	-16.38	370.37	7.16	-9.22
CC(C)(C)OC1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000009511	0	46	0.0	-9.70	354.49	4.93	-4.77
O=C(NCC1=CC2=NC=CN2C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009512	0	39	0.0	-20.22	334.14	6.89	-13.33
O=C(NCC1=CC2=NC=CN2C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009513	0	36	0.0	-14.49	319.60	3.82	-10.67
CC(CCC1=CC=C(O)C=C1)NC(=O)CCCC1=NN=N[N-]1	REAL000000009514	0	42	-1.0	-49.17	352.92	3.17	-46.00
CC(CCC1=CC=C(O)C=C1)NC(=O)CCCC1=N[N-]N=N1	REAL000000009514	1	42	-1.0	-49.16	352.86	3.18	-45.98
CC(CCC1=CC=C(O)C=C1)NC(=O)CCCC1=NNN=N1	REAL000000009514	1	43	0.0	-16.18	356.30	3.18	-12.99
CC(CCC1=CC=C(O)C=C1)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009515	0	46	0.0	-17.90	381.45	6.04	-11.86
CC(CCC1=CC=C(O)C=C1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009516	0	43	0.0	-11.04	366.89	2.98	-8.06
COC1=CC(CCNC(=O)CCCC2=NN=N[N-]2)=CC=C1O	REAL000000009517	0	40	-1.0	-52.20	340.90	1.40	-50.80
COC1=CC(CCNC(=O)CCCC2=N[N-]N=N2)=CC=C1O	REAL000000009517	1	40	-1.0	-52.19	340.85	1.40	-50.79
COC1=CC(CCNC(=O)CCCC2=NNN=N2)=CC=C1O	REAL000000009517	1	41	0.0	-18.92	344.29	1.41	-17.51
COC1=CC(CCNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CC=C1O	REAL000000009518	0	44	0.0	-21.16	369.83	4.22	-16.94
COC1=CC(CCNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC=C1O	REAL000000009519	0	41	0.0	-13.44	354.88	1.19	-12.25
COC1=CC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CC=C1O	REAL000000009520	0	41	0.0	-16.96	347.94	3.48	-13.48
COC1=CC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC=C1O	REAL000000009521	0	38	0.0	-11.49	333.38	0.41	-11.09
CC1=CC=C(CO)C=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009522	0	40	0.0	-19.52	332.84	4.43	-15.10
CC1=CC=C(CO)C=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009523	0	37	0.0	-11.89	317.63	1.35	-10.54
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2N=C(N3CCOCC3)OC2=C1	REAL000000009524	0	44	-1.0	-54.40	364.69	0.13	-54.26
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2N=C(N3CCOCC3)OC2=C1	REAL000000009524	1	44	-1.0	-54.38	364.63	0.12	-54.26
O=C(CCCC1=NNN=N1)NC1=CC=C2N=C(N3CCOCC3)OC2=C1	REAL000000009524	1	45	0.0	-21.28	368.07	0.14	-21.14
O=C(CCC1=NN=N[N-]1)NC1=CC=C2N=C(N3CCOCC3)OC2=C1	REAL000000009525	0	41	-1.0	-44.84	343.19	-0.66	-45.50
O=C(CCC1=N[N-]N=N1)NC1=CC=C2N=C(N3CCOCC3)OC2=C1	REAL000000009525	1	41	-1.0	-44.84	343.13	-0.66	-45.49
O=C(CCC1=NNN=N1)NC1=CC=C2N=C(N3CCOCC3)OC2=C1	REAL000000009525	1	42	0.0	-16.72	346.57	-0.65	-17.37
O=C(NC1=CC=C2N=C(N3CCOCC3)OC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009526	0	45	0.0	-14.39	378.97	-0.09	-14.48
O=C(CCCC1=NN=N[N-]1)N1CCC(C(=O)NCCCO)CC1	REAL000000009527	0	46	-1.0	-56.32	368.89	0.08	-56.24
O=C(CCCC1=N[N-]N=N1)N1CCC(C(=O)NCCCO)CC1	REAL000000009527	1	46	-1.0	-56.32	368.83	0.07	-56.24
O=C(CCCC1=NNN=N1)N1CCC(C(=O)NCCCO)CC1	REAL000000009527	1	47	0.0	-23.24	372.32	0.10	-23.15
O=C(CCC1=NN=N[N-]1)N1CCC(C(=O)NCCCO)CC1	REAL000000009528	0	43	-1.0	-47.10	347.39	-0.70	-47.80
O=C(CCC1=N[N-]N=N1)N1CCC(C(=O)NCCCO)CC1	REAL000000009528	1	43	-1.0	-47.10	347.33	-0.71	-47.81
O=C(CCC1=NNN=N1)N1CCC(C(=O)NCCCO)CC1	REAL000000009528	1	44	0.0	-18.35	350.84	-0.67	-19.02
O=C(NCCCO)C1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000009529	0	47	0.0	-17.02	380.02	0.33	-16.69
O=C(CCCC1=NN=N[N-]1)NCCNC(=O)C1=CC=C(O)C=C1	REAL000000009530	0	40	-1.0	-51.91	346.69	-0.90	-52.81
O=C(CCCC1=N[N-]N=N1)NCCNC(=O)C1=CC=C(O)C=C1	REAL000000009530	1	40	-1.0	-51.89	346.63	-0.90	-52.79
O=C(CCCC1=NNN=N1)NCCNC(=O)C1=CC=C(O)C=C1	REAL000000009530	1	41	0.0	-19.63	350.07	-0.88	-20.52
O=C(CCC1=NN=N[N-]1)NCCNC(=O)C1=CC=C(O)C=C1	REAL000000009531	0	37	-1.0	-45.38	325.19	-1.68	-47.06
O=C(CCC1=N[N-]N=N1)NCCNC(=O)C1=CC=C(O)C=C1	REAL000000009531	1	37	-1.0	-45.38	325.13	-1.68	-47.06
O=C(CCC1=NNN=N1)NCCNC(=O)C1=CC=C(O)C=C1	REAL000000009531	1	38	0.0	-16.27	328.57	-1.67	-17.94
O=C(NCCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=C(O)C=C1	REAL000000009532	0	44	0.0	-20.77	375.22	1.97	-18.80
O=C(NCCNC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=C(O)C=C1	REAL000000009533	0	41	0.0	-15.38	360.66	-1.10	-16.48
COC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC(OC)=C1O	REAL000000009534	0	41	-1.0	-49.30	348.62	0.52	-48.79
COC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC(OC)=C1O	REAL000000009534	1	41	-1.0	-49.29	348.56	0.52	-48.77
COC1=CC(CNC(=O)CCCC2=NNN=N2)=CC(OC)=C1O	REAL000000009534	1	42	0.0	-17.31	352.00	0.52	-16.79
COC1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC(OC)=C1O	REAL000000009535	0	38	-1.0	-42.56	327.12	-0.27	-42.82
COC1=CC(CNC(=O)CCC2=N[N-]N=N2)=CC(OC)=C1O	REAL000000009535	1	38	-1.0	-42.55	327.06	-0.28	-42.82
COC1=CC(CNC(=O)CCC2=NNN=N2)=CC(OC)=C1O	REAL000000009535	1	39	0.0	-13.90	330.50	-0.25	-14.15
COC1=CC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CC(OC)=C1O	REAL000000009536	0	45	0.0	-18.68	377.13	3.38	-15.30
COC1=CC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC(OC)=C1O	REAL000000009537	0	42	0.0	-13.08	362.59	0.30	-12.78
O=C(NCCC1=CC=C(O)C(O)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009538	0	41	0.0	-22.10	351.34	2.14	-19.96
O=C(NCCC1=CC=C(O)C(O)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009539	0	38	0.0	-12.99	336.40	-0.89	-13.87
O=C(NCC1=CC=C(O)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009540	0	37	0.0	-15.70	318.70	3.47	-12.24
O=C(NCCC1=CC=C(O)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009541	0	40	0.0	-19.17	340.20	4.25	-14.92
O=C(NCCC1=CC=C(O)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009542	0	37	0.0	-11.83	325.64	1.19	-10.65
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2=CC=C(O)C=C2C1	REAL000000009543	0	38	0.0	-10.83	317.63	3.22	-7.61
CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1CO	REAL000000009544	0	40	-1.0	-48.75	333.63	1.20	-47.55
CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1CO	REAL000000009544	1	40	-1.0	-48.74	333.57	1.19	-47.54
CCOC1=CC=C(NC(=O)CCCC2=NNN=N2)C=C1CO	REAL000000009544	1	41	0.0	-16.47	337.03	1.20	-15.26
CCOC1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1CO	REAL000000009545	0	44	0.0	-17.04	362.67	4.02	-13.03
CCOC1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1CO	REAL000000009546	0	41	0.0	-10.58	347.60	1.00	-9.58
O=C(CCCC1=NN=N[N-]1)N1CCS(=O)(=O)C2CCCCC21	REAL000000009547	0	42	-1.0	-51.15	331.32	2.15	-49.00
O=C(CCCC1=N[N-]N=N1)N1CCS(=O)(=O)C2CCCCC21	REAL000000009547	1	42	-1.0	-51.13	331.26	2.15	-48.98
O=C(CCCC1=NNN=N1)N1CCS(=O)(=O)C2CCCCC21	REAL000000009547	1	43	0.0	-20.27	334.69	2.16	-18.11
O=C(CCC1=NN=N[N-]1)N1CCS(=O)(=O)C2CCCCC21	REAL000000009548	0	39	-1.0	-42.16	309.79	1.35	-40.80
O=C(CCC1=N[N-]N=N1)N1CCS(=O)(=O)C2CCCCC21	REAL000000009548	1	39	-1.0	-42.15	309.73	1.36	-40.80
O=C(CCC1=NNN=N1)N1CCS(=O)(=O)C2CCCCC21	REAL000000009548	1	40	0.0	-15.67	313.15	1.37	-14.30
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCS(=O)(=O)C2CCCCC21	REAL000000009549	0	43	0.0	-13.59	343.08	2.32	-11.27
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(CCC(F)(F)F)=C1	REAL000000009550	0	38	-1.0	-48.78	335.87	5.95	-42.83
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(CCC(F)(F)F)=C1	REAL000000009550	1	38	-1.0	-48.76	335.81	5.94	-42.82
O=C(CCCC1=NNN=N1)NC1=CC=CC(CCC(F)(F)F)=C1	REAL000000009550	1	39	0.0	-15.67	339.24	5.96	-9.71
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(CCC(F)(F)F)=C1	REAL000000009551	0	35	-1.0	-40.83	314.37	5.17	-35.66
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(CCC(F)(F)F)=C1	REAL000000009551	1	35	-1.0	-40.83	314.31	5.16	-35.67
O=C(CCC1=NNN=N1)NC1=CC=CC(CCC(F)(F)F)=C1	REAL000000009551	1	36	0.0	-11.64	317.74	5.18	-6.46
O=C(NC1=CC=CC(CCC(F)(F)F)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009552	0	42	0.0	-17.09	364.13	8.83	-8.27
O=C(NC1=CC=CC(CCC(F)(F)F)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009553	0	39	0.0	-10.26	349.55	5.76	-4.50
COC(=O)CCN(CC1=CC=NC=C1)C(=O)CCCC1=NN=N[N-]1	REAL000000009554	0	43	-1.0	-53.55	363.17	5.37	-48.18
COC(=O)CCN(CC1=CC=NC=C1)C(=O)CCCC1=N[N-]N=N1	REAL000000009554	1	43	-1.0	-53.54	363.12	5.36	-48.18
COC(=O)CCN(CC1=CC=NC=C1)C(=O)CCCC1=NNN=N1	REAL000000009554	1	44	0.0	-21.68	365.18	5.31	-16.38
COC(=O)CCN(CC1=CC=NC=C1)C(=O)CCC1=NN=N[N-]1	REAL000000009555	0	40	-1.0	-44.48	341.68	4.59	-39.89
COC(=O)CCN(CC1=CC=NC=C1)C(=O)CCC1=N[N-]N=N1	REAL000000009555	1	40	-1.0	-44.47	341.62	4.58	-39.89
COC(=O)CCN(CC1=CC=NC=C1)C(=O)CCC1=NNN=N1	REAL000000009555	1	41	0.0	-16.12	343.62	4.53	-11.60
COC(=O)CCN(CC1=CC=NC=C1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009556	0	47	0.0	-18.03	389.89	7.86	-10.17
COC(=O)CCN(CC1=CC=NC=C1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009557	0	44	0.0	-14.47	371.72	6.12	-8.35
COC1=CC(OCCCNC(=O)CCCC2=NN=N[N-]2)=CC(OC)=C1	REAL000000009558	0	47	-1.0	-50.86	389.58	2.48	-48.38
COC1=CC(OCCCNC(=O)CCCC2=N[N-]N=N2)=CC(OC)=C1	REAL000000009558	1	47	-1.0	-50.85	389.53	2.48	-48.37
COC1=CC(OCCCNC(=O)CCCC2=NNN=N2)=CC(OC)=C1	REAL000000009558	1	48	0.0	-17.63	392.96	2.50	-15.13
COC1=CC(OCCCNC(=O)CCC2=NN=N[N-]2)=CC(OC)=C1	REAL000000009559	0	44	-1.0	-43.53	368.09	1.70	-41.83
COC1=CC(OCCCNC(=O)CCC2=N[N-]N=N2)=CC(OC)=C1	REAL000000009559	1	44	-1.0	-43.52	368.03	1.70	-41.82
COC1=CC(OCCCNC(=O)CCC2=NNN=N2)=CC(OC)=C1	REAL000000009559	1	45	0.0	-13.84	371.46	1.71	-12.13
COC1=CC(OC)=CC(OCCCNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009560	0	51	0.0	-19.25	418.11	5.34	-13.91
COC1=CC(OC)=CC(OCCCNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000009561	0	48	0.0	-12.83	403.56	2.28	-10.55
CC(C)C(=O)NC1=CC=C(OC(=O)CCCC2=NN=N[N-]2)C=C1	REAL000000009562	0	41	-1.0	-50.61	348.87	6.05	-44.56
CC(C)C(=O)NC1=CC=C(OC(=O)CCCC2=N[N-]N=N2)C=C1	REAL000000009562	1	41	-1.0	-50.60	348.81	6.05	-44.55
CC(C)C(=O)NC1=CC=C(OC(=O)CCCC2=NNN=N2)C=C1	REAL000000009562	1	42	0.0	-18.57	351.83	6.06	-12.52
CC(C)C(=O)NC1=CC=C(OC(=O)CCC2=NN=N[N-]2)C=C1	REAL000000009563	0	38	-1.0	-43.90	326.96	5.26	-38.63
CC(C)C(=O)NC1=CC=C(OC(=O)CCC2=N[N-]N=N2)C=C1	REAL000000009563	1	38	-1.0	-43.89	326.90	5.26	-38.64
CC(C)C(=O)NC1=CC=C(OC(=O)CCC2=NNN=N2)C=C1	REAL000000009563	1	39	0.0	-14.66	330.34	5.28	-9.39
CC(C)C(=O)NC1=CC=C(OC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000009564	0	42	0.0	-14.87	363.51	5.65	-9.22
COC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1NC(N)=O	REAL000000009565	0	39	-1.0	-56.43	330.09	-1.10	-57.53
COC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1NC(N)=O	REAL000000009565	1	39	-1.0	-56.42	330.03	-1.10	-57.52
COC1=CC(NC(=O)CCCC2=NNN=N2)=CC=C1NC(N)=O	REAL000000009565	1	40	0.0	-22.76	333.47	-1.09	-23.85
COC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1NC(N)=O	REAL000000009566	0	36	-1.0	-47.21	308.59	-1.89	-49.09
COC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1NC(N)=O	REAL000000009566	1	36	-1.0	-47.20	308.53	-1.88	-49.09
COC1=CC(NC(=O)CCC2=NNN=N2)=CC=C1NC(N)=O	REAL000000009566	1	37	0.0	-18.07	312.80	-1.86	-19.93
COC1=CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CC=C1NC(N)=O	REAL000000009567	0	43	0.0	-20.08	359.90	1.73	-18.36
COC1=CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC=C1NC(N)=O	REAL000000009568	0	40	0.0	-14.04	344.88	-1.30	-15.34
O=C(CCCC1=NN=N[N-]1)N(CC1=CC=CC=C1Br)C1CCCC1	REAL000000009569	0	45	-1.0	-48.12	356.33	8.30	-39.82
O=C(CCCC1=N[N-]N=N1)N(CC1=CC=CC=C1Br)C1CCCC1	REAL000000009569	1	45	-1.0	-48.11	356.28	8.30	-39.81
O=C(CCCC1=NNN=N1)N(CC1=CC=CC=C1Br)C1CCCC1	REAL000000009569	1	46	0.0	-12.36	359.71	8.31	-4.05
O=C(CCC1=NN=N[N-]1)N(CC1=CC=CC=C1Br)C1CCCC1	REAL000000009570	0	42	-1.0	-38.98	338.02	7.38	-31.59
O=C(CCC1=N[N-]N=N1)N(CC1=CC=CC=C1Br)C1CCCC1	REAL000000009570	1	42	-1.0	-38.98	337.97	7.38	-31.61
O=C(CCC1=NNN=N1)N(CC1=CC=CC=C1Br)C1CCCC1	REAL000000009570	1	43	0.0	-7.48	341.40	7.39	-0.09
CN(CCCN1C=CN=C1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009571	0	42	0.0	-21.89	348.60	8.34	-13.55
CN(CCCN1C=CN=C1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009572	0	39	0.0	-15.11	331.50	6.35	-8.76
COC1=CC=C(NNC(=O)CCCC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL000000009573	0	37	-1.0	-56.36	324.93	3.09	-53.27
COC1=CC=C(NNC(=O)CCCC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL000000009573	1	37	-1.0	-56.35	324.88	3.10	-53.26
COC1=CC=C(NNC(=O)CCCC2=NNN=N2)C([N+](=O)[O-])=C1	REAL000000009573	1	38	0.0	-24.23	328.31	3.10	-21.12
COC1=CC=C(NNC(=O)CCC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL000000009574	0	34	-1.0	-45.06	303.43	2.32	-42.75
COC1=CC=C(NNC(=O)CCC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL000000009574	1	34	-1.0	-45.06	303.38	2.30	-42.75
COC1=CC=C(NNC(=O)CCC2=NNN=N2)C([N+](=O)[O-])=C1	REAL000000009574	1	35	0.0	-18.74	306.81	2.32	-16.42
COC1=CC=C(NNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C([N+](=O)[O-])=C1	REAL000000009575	0	38	0.0	-15.68	338.77	2.87	-12.81
CC(C)N(CC(F)F)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009576	0	38	0.0	-17.61	302.50	6.39	-11.22
CC(CC1=CC=C(O)C=C1)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009577	0	43	0.0	-19.90	358.46	5.26	-14.63
CC(CC1=CC=C(O)C=C1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009578	0	40	0.0	-12.24	343.85	2.20	-10.03
O=C(CCCC1=NN=N[N-]1)N(CCCO)CC1=CC=C(Cl)C(Cl)=C1	REAL000000009579	0	42	-1.0	-48.13	381.13	4.93	-43.20
O=C(CCCC1=N[N-]N=N1)N(CCCO)CC1=CC=C(Cl)C(Cl)=C1	REAL000000009579	1	42	-1.0	-48.12	381.07	4.93	-43.19
O=C(CCCC1=NNN=N1)N(CCCO)CC1=CC=C(Cl)C(Cl)=C1	REAL000000009579	1	43	0.0	-16.01	378.75	4.72	-11.30
O=C(CCC1=NN=N[N-]1)N(CCCO)CC1=CC=C(Cl)C(Cl)=C1	REAL000000009580	0	39	-1.0	-41.57	359.64	4.15	-37.43
O=C(CCC1=N[N-]N=N1)N(CCCO)CC1=CC=C(Cl)C(Cl)=C1	REAL000000009580	1	39	-1.0	-41.58	359.58	4.14	-37.44
O=C(CCC1=NNN=N1)N(CCCO)CC1=CC=C(Cl)C(Cl)=C1	REAL000000009580	1	40	0.0	-11.55	363.01	4.16	-7.39
C[NH+](C)CCN(CC1=CC=CC(O)=C1)C(=O)CCCC1=NN=N[N-]1	REAL000000009581	0	48	0.0	-78.28	379.51	4.75	-73.52
C[NH+](C)CCN(CC1=CC=CC(O)=C1)C(=O)CCCC1=N[N-]N=N1	REAL000000009581	1	48	0.0	-78.26	379.45	4.75	-73.50
C[NH+](C)CCN(CC1=CC=CC(O)=C1)C(=O)CCCC1=NNN=N1	REAL000000009581	1	49	1.0	-57.23	382.88	4.76	-52.47
C[NH+](C)CCN(CC1=CC=CC(O)=C1)C(=O)CCC1=NN=N[N-]1	REAL000000009582	0	45	0.0	-67.25	363.73	4.20	-63.06
C[NH+](C)CCN(CC1=CC=CC(O)=C1)C(=O)CCC1=N[N-]N=N1	REAL000000009582	1	45	0.0	-67.25	363.67	4.19	-63.06
C[NH+](C)CCN(CC1=CC=CC(O)=C1)C(=O)CCC1=NNN=N1	REAL000000009582	1	46	1.0	-55.96	367.10	4.20	-51.76
C[NH+](C)CCN(CC1=CC=CC(O)=C1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009583	0	52	1.0	-62.58	407.12	7.12	-55.46
C[NH+](C)CCN(CC1=CC=CC(O)=C1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009584	0	49	1.0	-46.97	390.75	5.50	-41.47
COC1=CC(CN(C(=O)CCCC2=NN=N[N-]2)C2CC2)=CC=C1O	REAL000000009585	0	44	-1.0	-51.97	358.35	4.19	-47.78
COC1=CC(CN(C(=O)CCCC2=N[N-]N=N2)C2CC2)=CC=C1O	REAL000000009585	1	44	-1.0	-51.96	358.29	4.18	-47.78
COC1=CC(CN(C(=O)CCCC2=NNN=N2)C2CC2)=CC=C1O	REAL000000009585	1	45	0.0	-18.90	361.28	4.16	-14.74
COC1=CC(CN(C(=O)CCC2=NN=N[N-]2)C2CC2)=CC=C1O	REAL000000009586	0	41	-1.0	-43.96	337.28	3.23	-40.73
COC1=CC(CN(C(=O)CCC2=N[N-]N=N2)C2CC2)=CC=C1O	REAL000000009586	1	41	-1.0	-43.96	337.22	3.23	-40.73
COC1=CC(CN(C(=O)CCC2=NNN=N2)C2CC2)=CC=C1O	REAL000000009586	1	42	0.0	-14.11	340.40	3.41	-10.69
COC1=CC(CN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C2CC2)=CC=C1O	REAL000000009587	0	48	0.0	-17.88	385.54	6.41	-11.48
COC1=CC(CN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C2CC2)=CC=C1O	REAL000000009588	0	45	0.0	-12.82	365.36	4.79	-8.03
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC(O)=C1	REAL000000009589	0	40	0.0	-17.41	336.18	4.35	-13.06
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC(O)=C1	REAL000000009590	0	37	0.0	-10.45	321.64	1.28	-9.17
O=C(NCCC1=CC=CC(O)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009591	0	40	0.0	-19.21	340.20	4.25	-14.96
O=C(NCCC1=CC=CC(O)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009592	0	37	0.0	-11.89	325.64	1.19	-10.70
O=C(CCCC1=NN=N[N-]1)N(CC1=CC=C(O)C=C1)CC1CC1	REAL000000009593	0	43	-1.0	-49.55	354.87	5.05	-44.51
O=C(CCCC1=N[N-]N=N1)N(CC1=CC=C(O)C=C1)CC1CC1	REAL000000009593	1	43	-1.0	-49.55	354.81	5.05	-44.50
O=C(CCCC1=NNN=N1)N(CC1=CC=C(O)C=C1)CC1CC1	REAL000000009593	1	44	0.0	-15.29	358.24	5.06	-10.23
O=C(CCC1=NN=N[N-]1)N(CC1=CC=C(O)C=C1)CC1CC1	REAL000000009594	0	40	-1.0	-41.89	339.13	4.51	-37.38
O=C(CCC1=N[N-]N=N1)N(CC1=CC=C(O)C=C1)CC1CC1	REAL000000009594	1	40	-1.0	-41.90	339.08	4.51	-37.39
O=C(CCC1=NNN=N1)N(CC1=CC=C(O)C=C1)CC1CC1	REAL000000009594	1	41	0.0	-11.02	342.51	4.52	-6.50
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N(CC1=CC=C(O)C=C1)CC1CC1	REAL000000009595	0	47	0.0	-17.21	382.62	7.59	-9.62
O=C(C1=CC=C(C2=NNN=N2)C=N1)N(CC1=CC=C(O)C=C1)CC1CC1	REAL000000009596	0	44	0.0	-10.95	368.76	5.88	-5.07
O=C(NCC1=CC=CC=C1O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009597	0	37	0.0	-15.54	318.03	3.48	-12.06
O=C(CCCC1=NN=N[N-]1)NCCCNC(=O)C1=CC=CC(O)=C1	REAL000000009598	0	43	-1.0	-58.25	368.24	-0.14	-58.38
O=C(CCCC1=N[N-]N=N1)NCCCNC(=O)C1=CC=CC(O)=C1	REAL000000009598	1	43	-1.0	-58.23	368.19	-0.15	-58.38
O=C(CCCC1=NNN=N1)NCCCNC(=O)C1=CC=CC(O)=C1	REAL000000009598	1	44	0.0	-25.33	371.62	-0.13	-25.46
O=C(CCC1=NN=N[N-]1)NCCCNC(=O)C1=CC=CC(O)=C1	REAL000000009599	0	40	-1.0	-49.34	346.75	-0.92	-50.26
O=C(CCC1=N[N-]N=N1)NCCCNC(=O)C1=CC=CC(O)=C1	REAL000000009599	1	40	-1.0	-49.33	346.69	-0.92	-50.26
O=C(CCC1=NNN=N1)NCCCNC(=O)C1=CC=CC(O)=C1	REAL000000009599	1	41	0.0	-20.97	350.12	-0.91	-21.87
O=C(NCCCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC(O)=C1	REAL000000009600	0	47	0.0	-27.24	396.77	2.72	-24.52
O=C(NCCCNC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC(O)=C1	REAL000000009601	0	44	0.0	-19.34	382.22	-0.35	-19.69
COC1=CC=CC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1O	REAL000000009602	0	41	0.0	-16.94	347.26	3.47	-13.48
COC1=CC=CC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1O	REAL000000009603	0	38	0.0	-12.00	332.30	0.44	-11.56
COC1=CC=C(O)C(C(C)NC(=O)CCCC2=NN=N[N-]2)=C1	REAL000000009604	0	40	-1.0	-49.97	334.96	0.89	-49.08
COC1=CC=C(O)C(C(C)NC(=O)CCCC2=N[N-]N=N2)=C1	REAL000000009604	1	40	-1.0	-49.96	334.91	0.88	-49.08
COC1=CC=C(O)C(C(C)NC(=O)CCCC2=NNN=N2)=C1	REAL000000009604	1	41	0.0	-16.00	338.34	0.90	-15.10
COC1=CC=C(O)C(C(C)NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009605	0	44	0.0	-17.74	364.02	3.70	-14.04
COC1=CC=C(O)C(C(C)NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000009606	0	41	0.0	-11.71	348.94	0.68	-11.03
O=C(NCC1C2CC3=CC=CC=C3C12)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009607	0	44	0.0	-18.38	357.88	8.73	-9.65
O=C(NCC1C2CC3=CC=CC=C3C12)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009608	0	41	0.0	-10.83	343.32	5.66	-5.17
O=C(CCCC1=NN=N[N-]1)NC1(C2=C(Cl)C=CC=C2Cl)CC1	REAL000000009609	0	36	-1.0	-46.21	326.81	5.38	-40.83
O=C(CCCC1=N[N-]N=N1)NC1(C2=C(Cl)C=CC=C2Cl)CC1	REAL000000009609	1	36	-1.0	-46.19	326.75	5.38	-40.81
O=C(CCCC1=NNN=N1)NC1(C2=C(Cl)C=CC=C2Cl)CC1	REAL000000009609	1	37	0.0	-12.34	330.18	5.39	-6.95
O=C(CCC1=NN=N[N-]1)NC1(C2=C(Cl)C=CC=C2Cl)CC1	REAL000000009610	0	33	-1.0	-39.99	307.04	4.58	-35.41
O=C(CCC1=N[N-]N=N1)NC1(C2=C(Cl)C=CC=C2Cl)CC1	REAL000000009610	1	33	-1.0	-39.99	306.98	4.57	-35.42
O=C(CCC1=NNN=N1)NC1(C2=C(Cl)C=CC=C2Cl)CC1	REAL000000009610	1	34	0.0	-9.27	310.42	4.59	-4.68
O=C(NC1(C2=C(Cl)C=CC=C2Cl)CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009611	0	40	0.0	-14.24	356.53	8.18	-6.07
O=C(NC1(C2=C(Cl)C=CC=C2Cl)CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009612	0	37	0.0	-8.70	340.78	5.17	-3.53
CC(CC1=CC=CC=C1Br)NC(=O)CCCC1=NN=N[N-]1	REAL000000009613	0	38	-1.0	-49.73	337.86	5.68	-44.05
CC(CC1=CC=CC=C1Br)NC(=O)CCCC1=N[N-]N=N1	REAL000000009613	1	38	-1.0	-49.72	337.81	5.67	-44.04
CC(CC1=CC=CC=C1Br)NC(=O)CCCC1=NNN=N1	REAL000000009613	1	39	0.0	-16.31	340.43	5.59	-10.72
CC(CC1=CC=CC=C1Br)NC(=O)CCC1=NN=N[N-]1	REAL000000009614	0	35	-1.0	-40.99	315.66	4.81	-36.18
CC(CC1=CC=CC=C1Br)NC(=O)CCC1=N[N-]N=N1	REAL000000009614	1	35	-1.0	-40.98	315.61	4.80	-36.18
CC(CC1=CC=CC=C1Br)NC(=O)CCC1=NNN=N1	REAL000000009614	1	36	0.0	-11.67	316.81	4.60	-7.07
CC(CC1=CC=CC=C1Br)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009615	0	39	0.0	-10.55	351.14	5.38	-5.17
CC(CC1CCOC1)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009616	0	43	0.0	-17.50	343.22	5.11	-12.39
CC(CC1CCOC1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009617	0	40	0.0	-9.46	329.32	2.13	-7.33
CCC(CC1=CC=CC=C1Br)NC(=O)CCCC1=NN=N[N-]1	REAL000000009618	0	41	-1.0	-49.67	355.29	6.39	-43.29
CCC(CC1=CC=CC=C1Br)NC(=O)CCCC1=N[N-]N=N1	REAL000000009618	1	41	-1.0	-49.66	355.23	6.39	-43.27
CCC(CC1=CC=CC=C1Br)NC(=O)CCCC1=NNN=N1	REAL000000009618	1	42	0.0	-15.50	354.38	6.21	-9.30
CCC(CC1=CC=CC=C1Br)NC(=O)CCC1=NN=N[N-]1	REAL000000009619	0	38	-1.0	-40.94	333.79	5.61	-35.33
CCC(CC1=CC=CC=C1Br)NC(=O)CCC1=N[N-]N=N1	REAL000000009619	1	38	-1.0	-40.93	333.73	5.61	-35.32
CCC(CC1=CC=CC=C1Br)NC(=O)CCC1=NNN=N1	REAL000000009619	1	39	0.0	-11.19	332.89	5.43	-5.76
O=C(CCCC1=NN=N[N-]1)NCC1=NN=C(C2=CC=CC=C2)S1	REAL000000009620	0	37	-1.0	-49.35	338.91	3.31	-46.04
O=C(CCCC1=N[N-]N=N1)NCC1=NN=C(C2=CC=CC=C2)S1	REAL000000009620	1	37	-1.0	-49.34	338.86	3.30	-46.04
O=C(CCCC1=NNN=N1)NCC1=NN=C(C2=CC=CC=C2)S1	REAL000000009620	1	38	0.0	-16.48	342.29	3.31	-13.17
O=C(CCC1=NN=N[N-]1)NCC1=NN=C(C2=CC=CC=C2)S1	REAL000000009621	0	34	-1.0	-42.71	317.42	2.52	-40.19
O=C(CCC1=N[N-]N=N1)NCC1=NN=C(C2=CC=CC=C2)S1	REAL000000009621	1	34	-1.0	-42.70	317.36	2.52	-40.18
O=C(CCC1=NNN=N1)NCC1=NN=C(C2=CC=CC=C2)S1	REAL000000009621	1	35	0.0	-13.32	320.80	2.53	-10.78
O=C(NCC1=NN=C(C2=CC=CC=C2)S1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009622	0	41	0.0	-17.28	367.84	6.13	-11.15
O=C(NCC1=NN=C(C2=CC=CC=C2)S1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009623	0	38	0.0	-12.41	352.89	3.10	-9.31
COC(=O)CS(=O)(=O)CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL000000009624	0	47	-1.0	-65.97	418.99	2.79	-63.17
COC(=O)CS(=O)(=O)CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL000000009624	1	47	-1.0	-65.95	418.93	2.79	-63.15
COC(=O)CS(=O)(=O)CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C=C1	REAL000000009624	1	48	0.0	-32.64	422.37	2.80	-29.85
COC(=O)CS(=O)(=O)CC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL000000009625	0	44	-1.0	-57.93	397.49	2.01	-55.92
COC(=O)CS(=O)(=O)CC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL000000009625	1	44	-1.0	-57.93	397.43	2.01	-55.92
COC(=O)CS(=O)(=O)CC1=CC=C(CNC(=O)CCC2=NNN=N2)C=C1	REAL000000009625	1	45	0.0	-28.62	400.87	2.02	-26.60
CCCC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000009626	0	42	0.0	-14.51	341.15	6.81	-7.70
NC(=O)C1CCC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)O1	REAL000000009627	0	41	0.0	-22.25	342.80	1.56	-20.69
NC(=O)C1CCC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)O1	REAL000000009628	0	38	0.0	-17.70	328.24	-1.52	-19.21
COCCC(=O)N1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL000000009629	0	46	-1.0	-52.51	370.84	1.87	-50.64
COCCC(=O)N1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL000000009629	1	46	-1.0	-52.49	370.79	1.87	-50.63
COCCC(=O)N1CCC(NC(=O)CCCC2=NNN=N2)CC1	REAL000000009629	1	47	0.0	-19.29	374.22	1.88	-17.41
COCCC(=O)N1CCC(NC(=O)CCC2=NN=N[N-]2)CC1	REAL000000009630	0	43	-1.0	-42.45	349.32	1.08	-41.37
COCCC(=O)N1CCC(NC(=O)CCC2=N[N-]N=N2)CC1	REAL000000009630	1	43	-1.0	-42.45	349.26	1.08	-41.37
COCCC(=O)N1CCC(NC(=O)CCC2=NNN=N2)CC1	REAL000000009630	1	44	0.0	-13.68	352.66	1.09	-12.59
COCCC(=O)N1CCC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000009631	0	50	0.0	-18.37	399.35	4.73	-13.63
COCCC(=O)N1CCC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000009632	0	47	0.0	-12.66	384.80	1.67	-10.99
O=C(CCCC1=NN=N[N-]1)NC1=NN(C2=CC=CC=C2Cl)C=C1	REAL000000009633	0	36	-1.0	-50.66	323.25	6.22	-44.44
O=C(CCCC1=N[N-]N=N1)NC1=NN(C2=CC=CC=C2Cl)C=C1	REAL000000009633	1	36	-1.0	-50.65	323.19	6.22	-44.44
O=C(CCCC1=NNN=N1)NC1=NN(C2=CC=CC=C2Cl)C=C1	REAL000000009633	1	37	0.0	-17.71	326.63	6.23	-11.47
O=C(CCC1=NN=N[N-]1)NC1=NN(C2=CC=CC=C2Cl)C=C1	REAL000000009634	0	33	-1.0	-44.27	301.75	5.43	-38.84
O=C(CCC1=N[N-]N=N1)NC1=NN(C2=CC=CC=C2Cl)C=C1	REAL000000009634	1	33	-1.0	-44.27	301.69	5.43	-38.84
O=C(CCC1=NNN=N1)NC1=NN(C2=CC=CC=C2Cl)C=C1	REAL000000009634	1	34	0.0	-14.24	305.13	5.44	-8.80
O=C(NC1=NN(C2=CC=CC=C2Cl)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009635	0	40	0.0	-18.32	351.76	9.08	-9.24
O=C(NC1=NN(C2=CC=CC=C2Cl)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009636	0	37	0.0	-13.74	337.19	6.02	-7.72
CC(C)C(CCO)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009637	0	42	0.0	-14.96	330.79	2.87	-12.09
NC(=O)C1=NOC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009638	0	36	0.0	-17.24	321.85	0.54	-16.70
NC(=O)C1=NOC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000009639	0	33	0.0	-12.22	306.90	-2.49	-14.71
CN1C=C(C2=C(NC(=O)CCCC3=NN=N[N-]3)N3C=CC=CC3=N2)C=N1	REAL000000009640	0	42	-1.0	-55.47	368.61	6.11	-49.36
CN1C=C(C2=C(NC(=O)CCCC3=N[N-]N=N3)N3C=CC=CC3=N2)C=N1	REAL000000009640	1	42	-1.0	-55.46	368.55	6.12	-49.34
CN1C=C(C2=C(NC(=O)CCCC3=NNN=N3)N3C=CC=CC3=N2)C=N1	REAL000000009640	1	43	0.0	-19.93	362.68	6.12	-13.80
CN1C=C(C2=C(NC(=O)CCC3=NN=N[N-]3)N3C=CC=CC3=N2)C=N1	REAL000000009641	0	39	-1.0	-45.51	337.80	5.33	-40.18
CN1C=C(C2=C(NC(=O)CCC3=N[N-]N=N3)N3C=CC=CC3=N2)C=N1	REAL000000009641	1	39	-1.0	-45.50	337.74	5.32	-40.18
CN1C=C(C2=C(NC(=O)CCC3=NNN=N3)N3C=CC=CC3=N2)C=N1	REAL000000009641	1	40	0.0	-18.09	350.48	5.34	-12.74
CN1C=C(C2=C(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)N3C=CC=CC3=N2)C=N1	REAL000000009642	0	43	0.0	-17.15	382.57	5.90	-11.25
O=C(CCCC1=NN=N[N-]1)NCCC1=NN=C(C2=CC=CC=C2)O1	REAL000000009643	0	40	-1.0	-55.14	352.18	0.22	-54.92
O=C(CCCC1=N[N-]N=N1)NCCC1=NN=C(C2=CC=CC=C2)O1	REAL000000009643	1	40	-1.0	-55.13	352.12	0.22	-54.91
O=C(CCCC1=NNN=N1)NCCC1=NN=C(C2=CC=CC=C2)O1	REAL000000009643	1	41	0.0	-22.04	355.56	0.23	-21.80
O=C(CCC1=NN=N[N-]1)NCCC1=NN=C(C2=CC=CC=C2)O1	REAL000000009644	0	37	-1.0	-46.42	330.68	-0.56	-46.98
O=C(CCC1=N[N-]N=N1)NCCC1=NN=C(C2=CC=CC=C2)O1	REAL000000009644	1	37	-1.0	-46.41	330.62	-0.56	-46.98
O=C(CCC1=NNN=N1)NCCC1=NN=C(C2=CC=CC=C2)O1	REAL000000009644	1	38	0.0	-17.54	334.06	-0.54	-18.09
O=C(NCCC1=NN=C(C2=CC=CC=C2)O1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009645	0	44	0.0	-23.38	380.69	3.08	-20.29
O=C(NCCC1=NN=C(C2=CC=CC=C2)O1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009646	0	41	0.0	-15.66	366.16	0.02	-15.64
CC1=NN(C)C2=C1N(C(=O)C1=CC=CC(NC3=NNN=N3)=C1)CCO2	REAL000000009647	0	41	0.0	-19.82	326.93	4.39	-15.43
CC1=NN(C)C2=C1N(C(=O)C1=CC=C(C3=NNN=N3)C=N1)CCO2	REAL000000009648	0	38	0.0	-12.99	312.81	2.32	-10.67
CC(C)C1=NN(C2=CC=CC=C2)C=C1CNC(=O)CCCC1=NN=N[N-]1	REAL000000009649	0	48	-1.0	-48.73	400.37	6.52	-42.21
CC(C)C1=NN(C2=CC=CC=C2)C=C1CNC(=O)CCCC1=N[N-]N=N1	REAL000000009649	1	48	-1.0	-48.72	400.31	6.52	-42.20
CC(C)C1=NN(C2=CC=CC=C2)C=C1CNC(=O)CCCC1=NNN=N1	REAL000000009649	1	49	0.0	-16.14	403.74	6.53	-9.61
CC(C)C1=NN(C2=CC=CC=C2)C=C1CNC(=O)CCC1=NN=N[N-]1	REAL000000009650	0	45	-1.0	-42.19	378.87	5.74	-36.45
CC(C)C1=NN(C2=CC=CC=C2)C=C1CNC(=O)CCC1=N[N-]N=N1	REAL000000009650	1	45	-1.0	-42.19	378.81	5.74	-36.45
CC(C)C1=NN(C2=CC=CC=C2)C=C1CNC(=O)CCC1=NNN=N1	REAL000000009650	1	46	0.0	-12.73	382.24	5.75	-6.98
CC(C)C1=NN(C2=CC=CC=C2)C=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009651	0	49	0.0	-11.93	414.34	6.32	-5.61
O=C(NC1=CC=CC(N2C=CN=N2)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009652	0	39	0.0	-29.03	334.86	6.07	-22.96
O=C(NC1=CC=CC(N2C=CN=N2)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009653	0	36	0.0	-20.48	319.73	3.07	-17.41
CC1(C2=CC=CC=C2)CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL000000009654	0	48	-1.0	-47.26	363.24	7.17	-40.09
CC1(C2=CC=CC=C2)CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL000000009654	1	48	-1.0	-47.24	363.18	7.17	-40.07
CC1(C2=CC=CC=C2)CCC(NC(=O)CCCC2=NNN=N2)CC1	REAL000000009654	1	49	0.0	-13.62	366.62	7.18	-6.45
CC1(C2=CC=CC=C2)CCC(NC(=O)CCC2=NN=N[N-]2)CC1	REAL000000009655	0	45	-1.0	-40.17	341.74	6.39	-33.78
CC1(C2=CC=CC=C2)CCC(NC(=O)CCC2=N[N-]N=N2)CC1	REAL000000009655	1	45	-1.0	-40.17	341.69	6.38	-33.79
CC1(C2=CC=CC=C2)CCC(NC(=O)CCC2=NNN=N2)CC1	REAL000000009655	1	46	0.0	-9.68	345.12	6.40	-3.28
CC1(C2=CC=CC=C2)CCC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000009656	0	52	0.0	-15.53	391.77	10.03	-5.50
CC1(C2=CC=CC=C2)CCC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000009657	0	49	0.0	-9.52	381.65	6.55	-2.97
O=C(NC1CCOC2(CCC2)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009658	0	44	0.0	-15.37	345.73	5.52	-9.85
O=C(NC1CCOC2(CCC2)C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009659	0	41	0.0	-8.64	331.15	2.46	-6.18
CC1=CC=C(C)C(C2CCCN2C(=O)CCCC2=NN=N[N-]2)=C1	REAL000000009660	0	45	-1.0	-49.73	356.88	8.12	-41.61
CC1=CC=C(C)C(C2CCCN2C(=O)CCCC2=N[N-]N=N2)=C1	REAL000000009660	1	45	-1.0	-49.73	356.82	8.12	-41.61
CC1=CC=C(C)C(C2CCCN2C(=O)CCCC2=NNN=N2)=C1	REAL000000009660	1	46	0.0	-15.46	360.26	8.13	-7.32
CC1=CC=C(C)C(C2CCCN2C(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009661	0	49	0.0	-18.36	382.05	10.49	-7.87
CC1=CC=C(C)C(C2CCCN2C(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000009662	0	46	0.0	-11.16	366.91	8.36	-2.80
O=C(CCCC1=NN=N[N-]1)NCCCOC1=CC=C2C=CC=CC2=C1	REAL000000009663	0	45	-1.0	-49.42	376.63	6.10	-43.32
O=C(CCCC1=N[N-]N=N1)NCCCOC1=CC=C2C=CC=CC2=C1	REAL000000009663	1	45	-1.0	-49.41	376.57	6.10	-43.31
O=C(CCCC1=NNN=N1)NCCCOC1=CC=C2C=CC=CC2=C1	REAL000000009663	1	46	0.0	-16.53	380.00	6.11	-10.42
O=C(NCCCOC1=CC=C2C=CC=CC2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009665	0	49	0.0	-18.12	405.16	8.96	-9.16
O=C(NCCCOC1=CC=C2C=CC=CC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009666	0	46	0.0	-11.93	390.60	5.90	-6.03
COC1=NC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C(N)=O	REAL000000009667	0	36	-1.0	-52.19	312.97	-1.83	-54.02
COC1=NC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C(N)=O	REAL000000009667	1	36	-1.0	-52.18	312.91	-1.84	-54.02
COC1=NC=C(NC(=O)CCCC2=NNN=N2)C=C1C(N)=O	REAL000000009667	1	37	0.0	-21.87	316.34	-1.82	-23.69
COC1=NC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1C(N)=O	REAL000000009668	0	40	0.0	-21.42	341.28	1.04	-20.38
COC1=NC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1C(N)=O	REAL000000009669	0	37	0.0	-15.66	326.93	-2.04	-17.69
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(C(=O)NC2=CC=C(F)C=C2)C=C1	REAL000000009670	0	46	-1.0	-52.09	397.34	5.56	-46.53
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(C(=O)NC2=CC=C(F)C=C2)C=C1	REAL000000009670	1	46	-1.0	-52.07	397.29	5.56	-46.52
O=C(CCCC1=NNN=N1)NCC1=CC=C(C(=O)NC2=CC=C(F)C=C2)C=C1	REAL000000009670	1	47	0.0	-19.89	400.76	5.57	-14.32
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(C(=O)NC2=CC=C(F)C=C2)C=C1	REAL000000009671	0	43	-1.0	-44.88	375.85	4.78	-40.10
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(C(=O)NC2=CC=C(F)C=C2)C=C1	REAL000000009671	1	43	-1.0	-44.88	375.79	4.77	-40.11
O=C(CCC1=NNN=N1)NCC1=CC=C(C(=O)NC2=CC=C(F)C=C2)C=C1	REAL000000009671	1	44	0.0	-16.62	379.23	4.79	-11.83
CC1(C)CC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2O1	REAL000000009672	0	40	-1.0	-49.22	330.51	4.61	-44.61
CC1(C)CC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2O1	REAL000000009672	1	40	-1.0	-49.21	330.46	4.61	-44.60
CC1(C)CC2=CC(NC(=O)CCCC3=NNN=N3)=CC=C2O1	REAL000000009672	1	41	0.0	-16.41	333.89	4.62	-11.78
CC1(C)CC2=CC(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=CC=C2O1	REAL000000009673	0	44	0.0	-17.71	359.69	7.42	-10.29
CC1(C)CC2=CC(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=CC=C2O1	REAL000000009674	0	41	0.0	-10.62	344.77	4.40	-6.23
CC1=NN(C)C=C1C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL000000009675	0	42	-1.0	-52.03	343.27	5.00	-47.03
CC1=NN(C)C=C1C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL000000009675	1	42	-1.0	-52.01	343.21	5.01	-47.01
CC1=NN(C)C=C1C1CCCN1C(=O)CCCC1=NNN=N1	REAL000000009675	1	43	0.0	-19.06	346.58	5.01	-14.04
CC1=NN(C)C=C1C1CCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009676	0	46	0.0	-21.41	368.31	7.38	-14.02
CC1=NN(C)C=C1C1CCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009677	0	43	0.0	-13.78	355.45	5.28	-8.49
CN(C(=O)CCCC1=NN=N[N-]1)C1CCN(S(C)(=O)=O)CC1	REAL000000009678	0	43	-1.0	-56.40	350.15	1.43	-54.97
CN(C(=O)CCCC1=N[N-]N=N1)C1CCN(S(C)(=O)=O)CC1	REAL000000009678	1	43	-1.0	-56.38	350.10	1.43	-54.95
CN(C(=O)CCCC1=NNN=N1)C1CCN(S(C)(=O)=O)CC1	REAL000000009678	1	44	0.0	-23.04	353.53	1.44	-21.60
CN(C(=O)CCC1=NN=N[N-]1)C1CCN(S(C)(=O)=O)CC1	REAL000000009679	0	40	-1.0	-47.53	328.66	0.65	-46.88
CN(C(=O)CCC1=N[N-]N=N1)C1CCN(S(C)(=O)=O)CC1	REAL000000009679	1	40	-1.0	-47.52	328.60	0.64	-46.89
CN(C(=O)CCC1=NNN=N1)C1CCN(S(C)(=O)=O)CC1	REAL000000009679	1	41	0.0	-18.57	332.03	0.66	-17.91
CN(C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CCN(S(C)(=O)=O)CC1	REAL000000009680	0	47	0.0	-20.00	376.40	3.99	-16.01
CN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCN(S(C)(=O)=O)CC1	REAL000000009681	0	44	0.0	-17.55	361.58	1.79	-15.76
O=C(CCCC1=NN=N[N-]1)N1CCCCCC1C=CC1=CC=CC=C1	REAL000000009682	0	49	-1.0	-48.65	379.04	9.50	-39.15
O=C(CCCC1=N[N-]N=N1)N1CCCCCC1C=CC1=CC=CC=C1	REAL000000009682	1	49	-1.0	-48.64	378.99	9.50	-39.14
O=C(CCCC1=NNN=N1)N1CCCCCC1C=CC1=CC=CC=C1	REAL000000009682	1	50	0.0	-13.54	382.42	9.51	-4.03
O=C(CCC1=NN=N[N-]1)N1CCCCCC1C=CC1=CC=CC=C1	REAL000000009683	0	46	-1.0	-40.91	357.55	8.71	-32.20
O=C(CCC1=N[N-]N=N1)N1CCCCCC1C=CC1=CC=CC=C1	REAL000000009683	1	46	-1.0	-40.91	357.49	8.71	-32.19
O=C(CCC1=NNN=N1)N1CCCCCC1C=CC1=CC=CC=C1	REAL000000009683	1	47	0.0	-9.49	360.93	8.73	-0.75
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCCCCC1C=CC1=CC=CC=C1	REAL000000009684	0	53	0.0	-15.26	403.61	11.92	-3.34
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCCCCC1C=CC1=CC=CC=C1	REAL000000009685	0	50	0.0	-9.83	388.65	9.40	-0.43
O=C(CCCC1=NN=N[N-]1)NCCC1=CSC(C2=CC=CC=C2)=N1	REAL000000009686	0	41	-1.0	-53.07	365.11	5.07	-48.00
O=C(CCCC1=N[N-]N=N1)NCCC1=CSC(C2=CC=CC=C2)=N1	REAL000000009686	1	41	-1.0	-53.05	365.05	5.06	-47.99
O=C(CCCC1=NNN=N1)NCCC1=CSC(C2=CC=CC=C2)=N1	REAL000000009686	1	42	0.0	-18.94	368.49	5.08	-13.87
O=C(CCC1=NN=N[N-]1)NCCC1=CSC(C2=CC=CC=C2)=N1	REAL000000009687	0	38	-1.0	-44.57	343.61	4.29	-40.28
O=C(CCC1=N[N-]N=N1)NCCC1=CSC(C2=CC=CC=C2)=N1	REAL000000009687	1	38	-1.0	-44.56	343.55	4.28	-40.28
O=C(CCC1=NNN=N1)NCCC1=CSC(C2=CC=CC=C2)=N1	REAL000000009687	1	39	0.0	-14.60	346.99	4.29	-10.30
O=C(NCCC1=CSC(C2=CC=CC=C2)=N1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009688	0	45	0.0	-20.91	394.03	7.89	-13.02
O=C(NCCC1=CSC(C2=CC=CC=C2)=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009689	0	42	0.0	-13.14	379.09	4.86	-8.28
O=C(CCCC1=NN=N[N-]1)N1CCCCC1C1=NC2=CC=CC=C2O1	REAL000000009690	0	44	-1.0	-56.06	353.81	5.10	-50.97
O=C(CCCC1=N[N-]N=N1)N1CCCCC1C1=NC2=CC=CC=C2O1	REAL000000009690	1	44	-1.0	-56.05	353.75	5.10	-50.95
O=C(CCCC1=NNN=N1)N1CCCCC1C1=NC2=CC=CC=C2O1	REAL000000009690	1	45	0.0	-21.83	356.81	5.12	-16.71
O=C(CCC1=NN=N[N-]1)N1CCCCC1C1=NC2=CC=CC=C2O1	REAL000000009691	0	41	-1.0	-47.39	332.31	4.32	-43.07
O=C(CCC1=N[N-]N=N1)N1CCCCC1C1=NC2=CC=CC=C2O1	REAL000000009691	1	41	-1.0	-47.39	332.25	4.32	-43.07
O=C(CCC1=NNN=N1)N1CCCCC1C1=NC2=CC=CC=C2O1	REAL000000009691	1	42	0.0	-16.81	335.69	4.33	-12.49
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCCCC1C1=NC2=CC=CC=C2O1	REAL000000009692	0	48	0.0	-24.74	379.07	7.71	-17.03
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCCCC1C1=NC2=CC=CC=C2O1	REAL000000009693	0	45	0.0	-16.36	365.19	5.23	-11.13
O=C(CCC1=NN=N[N-]1)NC1CCN(CC2=CC=C(Br)C=C2)CC1	REAL000000009694	0	44	-1.0	-40.36	374.31	4.18	-36.18
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1N1CCC(CO)CC1	REAL000000009695	0	48	-1.0	-48.10	381.16	2.51	-45.59
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1N1CCC(CO)CC1	REAL000000009695	1	48	-1.0	-48.09	381.11	2.50	-45.59
O=C(CCCC1=NNN=N1)NC1=CC=CC=C1N1CCC(CO)CC1	REAL000000009695	1	49	0.0	-14.64	384.54	2.52	-12.12
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1N1CCC(CO)CC1	REAL000000009696	0	45	-1.0	-40.54	358.83	1.80	-38.75
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1N1CCC(CO)CC1	REAL000000009696	1	45	-1.0	-40.54	358.77	1.79	-38.76
O=C(CCC1=NNN=N1)NC1=CC=CC=C1N1CCC(CO)CC1	REAL000000009696	1	46	0.0	-10.62	363.04	1.74	-8.88
O=C(NC1=CC=CC=C1N1CCC(CO)CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009697	0	52	0.0	-16.36	403.19	5.65	-10.71
O=C(NC1=CC=CC=C1N1CCC(CO)CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009698	0	49	0.0	-10.25	395.13	2.30	-7.95
CC(C)OC(=O)C(C)N(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009699	0	44	0.0	-15.13	355.53	7.27	-7.87
CC(C)OC(=O)C(C)N(C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009700	0	41	0.0	-10.70	340.72	5.29	-5.41
CCN(C(=O)CCCC1=NN=N[N-]1)C(C)C1=CC=C(C2=CC=CC(OC)=C2)C=C1	REAL000000009701	0	55	-1.0	-49.45	426.82	10.02	-39.43
CCN(C(=O)CCCC1=N[N-]N=N1)C(C)C1=CC=C(C2=CC=CC(OC)=C2)C=C1	REAL000000009701	1	55	-1.0	-49.43	426.76	10.02	-39.42
CCN(C(=O)CCCC1=NNN=N1)C(C)C1=CC=C(C2=CC=CC(OC)=C2)C=C1	REAL000000009701	1	56	0.0	-15.95	430.20	10.03	-5.92
CCN(C(=O)CCC1=NN=N[N-]1)C(C)C1=CC=C(C2=CC=CC(OC)=C2)C=C1	REAL000000009702	0	52	-1.0	-44.15	404.16	8.79	-35.35
CCN(C(=O)CCC1=N[N-]N=N1)C(C)C1=CC=C(C2=CC=CC(OC)=C2)C=C1	REAL000000009702	1	52	-1.0	-44.14	404.11	8.79	-35.36
CCN(C(=O)CCC1=NNN=N1)C(C)C1=CC=C(C2=CC=CC(OC)=C2)C=C1	REAL000000009702	1	53	0.0	-13.69	407.54	8.80	-4.89
CC(C)OC1=CC=C(C2=CC=CC(C(C)N(C)C(=O)CCC3=NN=N[N-]3)=C2)C=C1	REAL000000009703	0	55	-1.0	-43.67	427.67	9.31	-34.36
CC(C)OC1=CC=C(C2=CC=CC(C(C)N(C)C(=O)CCC3=N[N-]N=N3)=C2)C=C1	REAL000000009703	1	55	-1.0	-43.67	427.62	9.30	-34.37
CC(C)OC1=CC=C(C2=CC=CC(C(C)N(C)C(=O)CCC3=NNN=N3)=C2)C=C1	REAL000000009703	1	56	0.0	-13.34	431.14	9.33	-4.01
CCC(CC)(CC)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009704	0	47	0.0	-14.55	347.82	7.06	-7.50
CCC(CC)(CC)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009705	0	44	0.0	-7.73	333.26	3.98	-3.75
CC(C)CC1CCCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000009706	0	48	0.0	-15.22	360.74	8.62	-6.60
CC(C)CC1CCCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000009707	0	45	0.0	-8.58	346.41	6.36	-2.23
CC1=C(C(C)N(C)C(=O)CCCC2=NN=N[N-]2)SC(C2=CC=CC=C2)=N1	REAL000000009708	0	47	-1.0	-50.15	391.60	7.42	-42.73
CC1=C(C(C)N(C)C(=O)CCCC2=N[N-]N=N2)SC(C2=CC=CC=C2)=N1	REAL000000009708	1	47	-1.0	-50.14	391.54	7.41	-42.73
CC1=C(C(C)N(C)C(=O)CCCC2=NNN=N2)SC(C2=CC=CC=C2)=N1	REAL000000009708	1	48	0.0	-16.97	396.57	7.42	-9.55
CC1=C(C(C)N(C)C(=O)CCC2=NN=N[N-]2)SC(C2=CC=CC=C2)=N1	REAL000000009709	0	44	-1.0	-42.08	370.50	6.64	-35.44
CC1=C(C(C)N(C)C(=O)CCC2=N[N-]N=N2)SC(C2=CC=CC=C2)=N1	REAL000000009709	1	44	-1.0	-42.08	370.44	6.63	-35.45
CC1=C(C(C)N(C)C(=O)CCC2=NNN=N2)SC(C2=CC=CC=C2)=N1	REAL000000009709	1	45	0.0	-12.55	373.48	6.65	-5.90
CSCC1CCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009710	0	40	0.0	-16.45	323.99	7.13	-9.32
CSCC1CCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009711	0	37	0.0	-9.20	312.15	5.22	-3.98
CN(CCOC(C)(C)C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009712	0	45	0.0	-14.84	352.60	6.32	-8.52
CN(CCOC(C)(C)C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009713	0	42	0.0	-8.74	337.10	4.24	-4.50
CN(C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CC1C1=CC=CC=C1	REAL000000009714	0	43	0.0	-18.55	346.62	9.03	-9.53
CN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CC1C1=CC=CC=C1	REAL000000009715	0	40	0.0	-10.24	327.80	7.06	-3.17
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(OC(C)(C)C)=C1	REAL000000009716	0	48	-1.0	-48.39	379.88	5.32	-43.07
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(OC(C)(C)C)=C1	REAL000000009716	1	48	-1.0	-48.37	379.82	5.31	-43.07
CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(OC(C)(C)C)=C1	REAL000000009716	1	49	0.0	-14.07	383.26	5.33	-8.75
CC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C(OC(C)(C)C)=C1	REAL000000009717	0	45	-1.0	-41.38	358.38	4.54	-36.84
CC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C(OC(C)(C)C)=C1	REAL000000009717	1	45	-1.0	-41.37	358.32	4.53	-36.84
CC1=CC=C(CNC(=O)CCC2=NNN=N2)C(OC(C)(C)C)=C1	REAL000000009717	1	46	0.0	-10.28	361.76	4.55	-5.73
CC1=CC=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(OC(C)(C)C)=C1	REAL000000009718	0	52	0.0	-16.18	408.44	8.15	-8.03
CC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(OC(C)(C)C)=C1	REAL000000009719	0	49	0.0	-10.11	394.09	5.12	-4.99
CCOC(CC[NH+](C)C)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009720	0	48	1.0	-42.99	385.72	3.27	-39.72
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCOC2(CCOCC2)C1	REAL000000009721	0	45	0.0	-14.98	344.11	4.81	-10.17
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCOC2(CCOCC2)C1	REAL000000009722	0	42	0.0	-9.74	327.07	2.54	-7.20
O=C(CCCC1=NN=N[N-]1)N1CCCC1CCCC1=CC=CC=C1	REAL000000009723	0	48	-1.0	-49.34	383.10	8.83	-40.51
O=C(CCCC1=N[N-]N=N1)N1CCCC1CCCC1=CC=CC=C1	REAL000000009723	1	48	-1.0	-49.33	383.05	8.83	-40.50
O=C(CCCC1=NNN=N1)N1CCCC1CCCC1=CC=CC=C1	REAL000000009723	1	49	0.0	-14.97	387.28	8.84	-6.13
O=C(CCC1=NN=N[N-]1)N1CCCC1CCCC1=CC=CC=C1	REAL000000009724	0	45	-1.0	-41.64	362.40	8.04	-33.60
O=C(CCC1=N[N-]N=N1)N1CCCC1CCCC1=CC=CC=C1	REAL000000009724	1	45	-1.0	-41.64	362.34	8.04	-33.60
O=C(CCC1=NNN=N1)N1CCCC1CCCC1=CC=CC=C1	REAL000000009724	1	46	0.0	-10.73	365.78	8.05	-2.68
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCCC1CCCC1=CC=CC=C1	REAL000000009725	0	52	0.0	-16.55	400.97	10.89	-5.67
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCCC1CCCC1=CC=CC=C1	REAL000000009726	0	49	0.0	-10.56	394.78	9.04	-1.52
CCCCCC1CCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009727	0	48	0.0	-14.75	362.56	8.66	-6.08
CCCCCC1CCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009728	0	45	0.0	-9.34	355.06	6.87	-2.48
CC(COC1CCOC1)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009729	0	44	0.0	-15.85	357.59	3.83	-12.02
CC(COC1CCOC1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009730	0	41	0.0	-9.54	343.03	0.75	-8.79
COC1=CC(F)=CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009731	0	37	0.0	-17.13	318.26	5.56	-11.58
COC1=CC(F)=CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000009732	0	34	0.0	-9.95	302.92	2.55	-7.40
O=C(CCCC1=NN=N[N-]1)N1CCOCC1CC(O)C1=CC=CS1	REAL000000009733	0	44	-1.0	-47.05	361.10	2.13	-44.92
O=C(CCCC1=N[N-]N=N1)N1CCOCC1CC(O)C1=CC=CS1	REAL000000009733	1	44	-1.0	-47.03	361.05	2.13	-44.90
O=C(CCCC1=NNN=N1)N1CCOCC1CC(O)C1=CC=CS1	REAL000000009733	1	45	0.0	-14.44	364.64	2.13	-12.30
O=C(CCC1=NN=N[N-]1)N1CCOCC1CC(O)C1=CC=CS1	REAL000000009734	0	41	-1.0	-39.58	339.76	1.34	-38.24
O=C(CCC1=N[N-]N=N1)N1CCOCC1CC(O)C1=CC=CS1	REAL000000009734	1	41	-1.0	-39.58	339.71	1.33	-38.25
O=C(CCC1=NNN=N1)N1CCOCC1CC(O)C1=CC=CS1	REAL000000009734	1	42	0.0	-10.11	341.49	1.74	-8.37
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCOCC1CC(O)C1=CC=CS1	REAL000000009735	0	45	0.0	-9.97	372.05	2.36	-7.61
CC1CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C[N@@H+]1C1CC1	REAL000000009736	0	46	1.0	-47.30	356.82	6.81	-40.50
CC1CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C[N@H+]1C1CC1	REAL000000009736	1	46	1.0	-47.68	354.13	6.68	-41.00
CC1CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C[N@@H+]1C1CC1	REAL000000009737	0	43	1.0	-37.82	347.47	4.21	-33.61
CC1CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C[N@H+]1C1CC1	REAL000000009737	1	43	1.0	-39.19	339.19	3.68	-35.51
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCS(=O)(=O)C2(CCCCC2)C1	REAL000000009740	0	49	0.0	-18.95	370.64	5.38	-13.57
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCS(=O)(=O)C2(CCCCC2)C1	REAL000000009741	0	46	0.0	-13.34	356.23	3.18	-10.16
COC1=CC(OC)=C2C=C(CCCNC(=O)CCCC3=NN=N[N-]3)NC2=C1	REAL000000009742	0	50	-1.0	-52.20	413.07	3.57	-48.64
COC1=CC(OC)=C2C=C(CCCNC(=O)CCCC3=N[N-]N=N3)NC2=C1	REAL000000009742	1	50	-1.0	-52.19	413.01	3.57	-48.62
COC1=CC(OC)=C2C=C(CCCNC(=O)CCCC3=NNN=N3)NC2=C1	REAL000000009742	1	51	0.0	-19.19	416.45	3.58	-15.62
COC1=CC(OC)=C2C=C(CCCNC(=O)CCC3=NN=N[N-]3)NC2=C1	REAL000000009743	0	47	-1.0	-45.17	391.57	2.78	-42.39
COC1=CC(OC)=C2C=C(CCCNC(=O)CCC3=N[N-]N=N3)NC2=C1	REAL000000009743	1	47	-1.0	-45.17	391.52	2.78	-42.39
COC1=CC(OC)=C2C=C(CCCNC(=O)CCC3=NNN=N3)NC2=C1	REAL000000009743	1	48	0.0	-15.60	394.95	2.79	-12.80
O=C(NC1=CC=C(CCO)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009744	0	40	0.0	-17.74	336.69	4.27	-13.47
O=C(NC1=CC=C(CCO)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009745	0	37	0.0	-10.76	321.60	1.25	-9.52
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2CCC(O)CC2)C=C1	REAL000000009746	0	45	-1.0	-49.73	357.12	1.31	-48.41
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2CCC(O)CC2)C=C1	REAL000000009746	1	45	-1.0	-49.72	357.07	1.30	-48.42
O=C(CCCC1=NNN=N1)NC1=CC=C(N2CCC(O)CC2)C=C1	REAL000000009746	1	46	0.0	-16.54	360.49	1.32	-15.21
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2CCC(O)CC2)C=C1	REAL000000009747	0	42	-1.0	-41.55	335.61	0.53	-41.02
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2CCC(O)CC2)C=C1	REAL000000009747	1	42	-1.0	-41.55	335.56	0.52	-41.03
O=C(CCC1=NNN=N1)NC1=CC=C(N2CCC(O)CC2)C=C1	REAL000000009747	1	43	0.0	-12.36	338.99	0.54	-11.82
O=C(NC1=CC=C(N2CCC(O)CC2)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009748	0	49	0.0	-17.96	385.62	4.18	-13.78
O=C(NC1=CC=C(N2CCC(O)CC2)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009749	0	46	0.0	-11.40	371.36	1.09	-10.30
O=C(CCCC1=NN=N[N-]1)NCC(CO)CC1=CC=C(F)C=C1	REAL000000009750	0	42	-1.0	-48.23	351.47	2.91	-45.32
O=C(CCCC1=N[N-]N=N1)NCC(CO)CC1=CC=C(F)C=C1	REAL000000009750	1	42	-1.0	-48.21	351.41	2.91	-45.30
O=C(CCCC1=NNN=N1)NCC(CO)CC1=CC=C(F)C=C1	REAL000000009750	1	43	0.0	-16.06	353.88	2.91	-13.14
O=C(CCC1=NN=N[N-]1)NCC(CO)CC1=CC=C(F)C=C1	REAL000000009751	0	39	-1.0	-41.85	329.97	2.13	-39.72
O=C(CCC1=N[N-]N=N1)NCC(CO)CC1=CC=C(F)C=C1	REAL000000009751	1	39	-1.0	-41.85	329.92	2.12	-39.73
O=C(CCC1=NNN=N1)NCC(CO)CC1=CC=C(F)C=C1	REAL000000009751	1	40	0.0	-12.37	332.37	2.12	-10.25
O=C(NCC(CO)CC1=CC=C(F)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009752	0	46	0.0	-17.28	380.00	5.77	-11.51
O=C(NCC(CO)CC1=CC=C(F)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009753	0	43	0.0	-11.46	364.47	2.70	-8.76
O=C(NCC1=CC=CC=C1CO)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009754	0	40	0.0	-15.46	335.54	3.76	-11.70
O=C(NCC1=CC=CC=C1CO)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009755	0	37	0.0	-9.91	320.59	0.73	-9.18
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(CC(=O)NCCO)C=C1	REAL000000009756	0	43	-1.0	-56.89	366.99	-0.14	-57.03
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(CC(=O)NCCO)C=C1	REAL000000009756	1	43	-1.0	-56.87	366.93	-0.14	-57.01
O=C(CCCC1=NNN=N1)NC1=CC=C(CC(=O)NCCO)C=C1	REAL000000009756	1	44	0.0	-22.79	370.64	-0.14	-22.93
O=C(CCC1=NN=N[N-]1)NC1=CC=C(CC(=O)NCCO)C=C1	REAL000000009757	0	40	-1.0	-48.94	345.49	-0.92	-49.85
O=C(CCC1=N[N-]N=N1)NC1=CC=C(CC(=O)NCCO)C=C1	REAL000000009757	1	40	-1.0	-48.94	345.43	-0.92	-49.85
O=C(CCC1=NNN=N1)NC1=CC=C(CC(=O)NCCO)C=C1	REAL000000009757	1	41	0.0	-18.49	349.14	-0.92	-19.41
O=C(CC1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1)NCCO	REAL000000009758	0	44	0.0	-18.29	381.23	-0.36	-18.65
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C[NH+]2CCC(CO)CC2)=C1	REAL000000009759	0	52	0.0	-77.52	404.92	4.45	-73.08
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C[NH+]2CCC(CO)CC2)=C1	REAL000000009759	1	52	0.0	-77.50	404.86	4.45	-73.05
O=C(CCCC1=NNN=N1)NC1=CC=CC(C[NH+]2CCC(CO)CC2)=C1	REAL000000009759	1	53	1.0	-52.12	408.29	4.46	-47.66
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(C[NH+]2CCC(CO)CC2)=C1	REAL000000009760	0	49	0.0	-69.03	383.42	3.67	-65.36
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(C[NH+]2CCC(CO)CC2)=C1	REAL000000009760	1	49	0.0	-69.02	383.36	3.67	-65.35
O=C(CCC1=NNN=N1)NC1=CC=CC(C[NH+]2CCC(CO)CC2)=C1	REAL000000009760	1	50	1.0	-47.75	386.79	3.68	-44.07
O=C(NC1=CC=CC(C[NH+]2CCC(CO)CC2)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009761	0	53	1.0	-39.70	418.64	4.26	-35.44
O=C(CCCC1=NN=N[N-]1)N1CCN(C(=O)C2=CC=CC(O)=C2)CC1	REAL000000009762	0	44	-1.0	-54.88	359.17	2.43	-52.45
O=C(CCCC1=N[N-]N=N1)N1CCN(C(=O)C2=CC=CC(O)=C2)CC1	REAL000000009762	1	44	-1.0	-54.87	359.11	2.42	-52.45
O=C(CCCC1=NNN=N1)N1CCN(C(=O)C2=CC=CC(O)=C2)CC1	REAL000000009762	1	45	0.0	-23.94	362.54	2.44	-21.50
O=C(CCC1=NN=N[N-]1)N1CCN(C(=O)C2=CC=CC(O)=C2)CC1	REAL000000009763	0	41	-1.0	-44.46	337.67	1.65	-42.80
O=C(CCC1=N[N-]N=N1)N1CCN(C(=O)C2=CC=CC(O)=C2)CC1	REAL000000009763	1	41	-1.0	-44.45	337.62	1.64	-42.81
O=C(CCC1=NNN=N1)N1CCN(C(=O)C2=CC=CC(O)=C2)CC1	REAL000000009763	1	42	0.0	-18.41	341.05	1.66	-16.75
O=C(C1=CC=CC(O)=C1)N1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000009764	0	48	0.0	-20.49	391.28	5.10	-15.40
O=C(C1=CC=CC(O)=C1)N1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000009765	0	45	0.0	-16.68	371.17	2.69	-13.99
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(CCC(O)C2=CC=CC=C2)=C1	REAL000000009766	0	49	-1.0	-50.34	406.15	6.25	-44.09
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(CCC(O)C2=CC=CC=C2)=C1	REAL000000009766	1	49	-1.0	-50.32	406.09	6.25	-44.08
O=C(CCCC1=NNN=N1)NC1=CC=CC(CCC(O)C2=CC=CC=C2)=C1	REAL000000009766	1	50	0.0	-17.12	409.52	6.26	-10.87
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(CCC(O)C2=CC=CC=C2)=C1	REAL000000009767	0	46	-1.0	-42.21	384.65	5.47	-36.74
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(CCC(O)C2=CC=CC=C2)=C1	REAL000000009767	1	46	-1.0	-42.20	384.59	5.47	-36.73
O=C(CCC1=NNN=N1)NC1=CC=CC(CCC(O)C2=CC=CC=C2)=C1	REAL000000009767	1	47	0.0	-12.94	388.02	5.48	-7.46
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(CCC(O)C2=CC=CC=C2)C=C1	REAL000000009768	0	49	-1.0	-50.69	406.22	6.26	-44.43
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(CCC(O)C2=CC=CC=C2)C=C1	REAL000000009768	1	49	-1.0	-50.69	406.16	6.25	-44.43
O=C(CCCC1=NNN=N1)NC1=CC=C(CCC(O)C2=CC=CC=C2)C=C1	REAL000000009768	1	50	0.0	-17.17	409.59	6.27	-10.90
O=C(CCC1=NN=N[N-]1)NC1=CC=C(CCC(O)C2=CC=CC=C2)C=C1	REAL000000009769	0	46	-1.0	-42.53	384.72	5.48	-37.05
O=C(CCC1=N[N-]N=N1)NC1=CC=C(CCC(O)C2=CC=CC=C2)C=C1	REAL000000009769	1	46	-1.0	-42.53	384.66	5.47	-37.06
O=C(CCC1=NNN=N1)NC1=CC=C(CCC(O)C2=CC=CC=C2)C=C1	REAL000000009769	1	47	0.0	-12.98	388.10	5.49	-7.48
O=C(NCC1=CC=CC(CO)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009770	0	40	0.0	-16.99	340.48	3.65	-13.35
O=C(NCC1=CC=CC(CO)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009771	0	37	0.0	-10.85	325.93	0.58	-10.27
O=C(CCCC1=NN=N[N-]1)NCC(CCO)C1=CC=CC=C1	REAL000000009772	0	42	-1.0	-49.87	347.74	2.20	-47.67
O=C(CCCC1=N[N-]N=N1)NCC(CCO)C1=CC=CC=C1	REAL000000009772	1	42	-1.0	-49.86	347.69	2.19	-47.67
O=C(CCCC1=NNN=N1)NCC(CCO)C1=CC=CC=C1	REAL000000009772	1	43	0.0	-16.45	351.14	2.21	-14.23
O=C(NCC(CCO)C1=CC=CC=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009773	0	46	0.0	-18.11	375.82	5.04	-13.07
O=C(NCC(CCO)C1=CC=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009774	0	43	0.0	-11.18	361.49	2.01	-9.17
N#CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1N1CCC(O)CC1	REAL000000009775	0	46	-1.0	-57.13	381.71	2.17	-54.96
N#CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1N1CCC(O)CC1	REAL000000009775	1	46	-1.0	-57.11	381.65	2.17	-54.94
N#CC1=CC(NC(=O)CCCC2=NNN=N2)=CC=C1N1CCC(O)CC1	REAL000000009775	1	47	0.0	-23.63	385.09	2.18	-21.45
N#CC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1N1CCC(O)CC1	REAL000000009776	0	43	-1.0	-47.36	360.21	1.39	-45.97
N#CC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1N1CCC(O)CC1	REAL000000009776	1	43	-1.0	-47.35	360.15	1.38	-45.98
N#CC1=CC(NC(=O)CCC2=NNN=N2)=CC=C1N1CCC(O)CC1	REAL000000009776	1	44	0.0	-18.85	363.58	1.40	-17.45
N#CC1=CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC=C1N1CCC(O)CC1	REAL000000009777	0	47	0.0	-16.83	395.67	1.96	-14.87
O=C(CCCC1=NN=N[N-]1)NCC(CO)CC1=CC=CC=C1OC(F)(F)F	REAL000000009778	0	46	-1.0	-47.21	381.19	4.00	-43.21
O=C(CCCC1=N[N-]N=N1)NCC(CO)CC1=CC=CC=C1OC(F)(F)F	REAL000000009778	1	46	-1.0	-47.19	381.13	3.99	-43.20
O=C(CCCC1=NNN=N1)NCC(CO)CC1=CC=CC=C1OC(F)(F)F	REAL000000009778	1	47	0.0	-15.47	393.82	2.72	-12.75
O=C(CCC1=NN=N[N-]1)NCC(CO)CC1=CC=CC=C1OC(F)(F)F	REAL000000009779	0	43	-1.0	-39.96	359.82	3.20	-36.75
O=C(CCC1=N[N-]N=N1)NCC(CO)CC1=CC=CC=C1OC(F)(F)F	REAL000000009779	1	43	-1.0	-39.95	359.77	3.21	-36.74
O=C(CCC1=NNN=N1)NCC(CO)CC1=CC=CC=C1OC(F)(F)F	REAL000000009779	1	44	0.0	-10.76	363.20	3.21	-7.54
CN(CC1=CC=C(O)C=C1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009780	0	40	0.0	-18.88	334.44	5.13	-13.75
CN(CC1=CC=C(O)C=C1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009781	0	37	0.0	-11.72	317.69	3.13	-8.59
COC1=CC(OC)=CC(CC(CO)CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL000000009782	0	50	-1.0	-50.11	404.06	1.46	-48.64
COC1=CC(OC)=CC(CC(CO)CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL000000009782	1	50	-1.0	-50.09	404.00	1.46	-48.63
COC1=CC(OC)=CC(CC(CO)CNC(=O)CCCC2=NNN=N2)=C1	REAL000000009782	1	51	0.0	-17.43	406.47	1.46	-15.96
COC1=CC(OC)=CC(CC(CO)CNC(=O)CCC2=NN=N[N-]2)=C1	REAL000000009783	0	47	-1.0	-43.72	382.56	0.68	-43.04
COC1=CC(OC)=CC(CC(CO)CNC(=O)CCC2=N[N-]N=N2)=C1	REAL000000009783	1	47	-1.0	-43.72	382.50	0.67	-43.04
COC1=CC(OC)=CC(CC(CO)CNC(=O)CCC2=NNN=N2)=C1	REAL000000009783	1	48	0.0	-13.64	384.97	0.68	-12.95
COC1=CC(CC(CO)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC(OC)=C1	REAL000000009784	0	51	0.0	-13.02	418.03	1.25	-11.77
CC(C)CC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000009785	0	45	0.0	-14.51	354.01	7.84	-6.67
CC(C)CC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000009786	0	42	0.0	-7.77	338.42	4.24	-3.53
O=C(NCCCOC1CCOC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009787	0	44	0.0	-16.54	360.21	3.62	-12.92
O=C(NCCCOC1CCOC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009788	0	41	0.0	-10.17	345.66	0.56	-9.62
CCOC1=CC(C)=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL000000009789	0	42	-1.0	-48.17	350.83	4.42	-43.75
CCOC1=CC(C)=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL000000009789	1	42	-1.0	-48.15	350.78	4.42	-43.74
CCOC1=CC(C)=CC=C1CNC(=O)CCCC1=NNN=N1	REAL000000009789	1	43	0.0	-14.13	354.21	4.43	-9.71
CCOC1=CC(C)=CC=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009790	0	46	0.0	-16.10	379.76	7.24	-8.86
CCOC1=CC(C)=CC=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009791	0	43	0.0	-10.07	364.82	4.22	-5.85
O=C(CCCC1=NN=N[N-]1)NC1CCN(C(=O)C2CCCC2)C1	REAL000000009792	0	46	-1.0	-50.97	362.43	3.76	-47.22
O=C(CCCC1=N[N-]N=N1)NC1CCN(C(=O)C2CCCC2)C1	REAL000000009792	1	46	-1.0	-50.95	362.38	3.76	-47.19
O=C(CCCC1=NNN=N1)NC1CCN(C(=O)C2CCCC2)C1	REAL000000009792	1	47	0.0	-17.63	366.60	3.79	-13.84
O=C(CCC1=NN=N[N-]1)NC1CCN(C(=O)C2CCCC2)C1	REAL000000009793	0	43	-1.0	-43.75	340.94	2.98	-40.77
O=C(CCC1=N[N-]N=N1)NC1CCN(C(=O)C2CCCC2)C1	REAL000000009793	1	43	-1.0	-43.74	340.88	2.98	-40.76
O=C(CCC1=NNN=N1)NC1CCN(C(=O)C2CCCC2)C1	REAL000000009793	1	44	0.0	-14.88	344.36	2.99	-11.88
O=C(NC1CCN(C(=O)C2CCCC2)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009794	0	50	0.0	-19.37	390.97	6.62	-12.75
O=C(NC1CCN(C(=O)C2CCCC2)C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009795	0	47	0.0	-13.52	376.41	3.55	-9.97
CC(CCS(C)(=O)=O)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009796	0	41	0.0	-23.78	352.65	2.66	-21.12
CC(CCS(C)(=O)=O)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009797	0	38	0.0	-17.34	338.09	-0.40	-17.74
O=C(CCCC1=NN=N[N-]1)NCCOC1=CC=C(Cl)C=N1	REAL000000009798	0	35	-1.0	-47.06	323.29	1.03	-46.02
O=C(CCCC1=N[N-]N=N1)NCCOC1=CC=C(Cl)C=N1	REAL000000009798	1	35	-1.0	-47.05	323.24	1.03	-46.01
O=C(CCCC1=NNN=N1)NCCOC1=CC=C(Cl)C=N1	REAL000000009798	1	36	0.0	-14.05	326.67	1.04	-13.01
O=C(NCCOC1=CC=C(Cl)C=N1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009799	0	39	0.0	-15.58	351.83	3.90	-11.68
O=C(NCCOC1=CC=C(Cl)C=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009800	0	36	0.0	-9.77	337.27	0.83	-8.94
O=C(NCCC1=CSC=N1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009801	0	35	0.0	-19.40	313.87	4.10	-15.30
O=C(NCCC1=CSC=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009802	0	32	0.0	-11.78	298.92	1.07	-10.71
CC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCCS1	REAL000000009803	0	40	0.0	-14.52	330.49	6.57	-7.95
CC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCCS1	REAL000000009804	0	37	0.0	-9.30	315.96	3.50	-5.80
COC1=CC=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(F)=C1	REAL000000009805	0	40	0.0	-16.51	343.13	5.63	-10.89
COC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(F)=C1	REAL000000009806	0	37	0.0	-10.86	328.28	2.60	-8.26
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=CC=C1OC(F)(F)F	REAL000000009807	0	39	-1.0	-49.60	345.46	4.09	-45.51
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=CC=C1OC(F)(F)F	REAL000000009807	1	39	-1.0	-49.59	345.40	4.10	-45.49
O=C(CCCC1=NNN=N1)NCCC1=CC=CC=C1OC(F)(F)F	REAL000000009807	1	40	0.0	-16.23	348.84	4.11	-12.12
O=C(CCC1=NN=N[N-]1)NCCC1=CC=CC=C1OC(F)(F)F	REAL000000009808	0	36	-1.0	-41.66	323.96	3.31	-38.35
O=C(CCC1=N[N-]N=N1)NCCC1=CC=CC=C1OC(F)(F)F	REAL000000009808	1	36	-1.0	-41.66	323.91	3.32	-38.35
O=C(CCC1=NNN=N1)NCCC1=CC=CC=C1OC(F)(F)F	REAL000000009808	1	37	0.0	-11.93	327.33	3.33	-8.60
O=C(NCCC1=CC=CC=C1OC(F)(F)F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009809	0	43	0.0	-17.88	373.96	6.96	-10.92
O=C(NCCC1=CC=CC=C1OC(F)(F)F)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009810	0	40	0.0	-10.84	359.44	3.90	-6.94
CSC1=CC(C)=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL000000009811	0	39	-1.0	-47.91	338.21	5.04	-42.87
CSC1=CC(C)=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL000000009811	1	39	-1.0	-47.90	338.16	5.03	-42.87
CSC1=CC(C)=CC=C1CNC(=O)CCCC1=NNN=N1	REAL000000009811	1	40	0.0	-13.77	341.59	5.05	-8.72
CSC1=CC(C)=CC=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009812	0	43	0.0	-15.70	367.13	7.87	-7.84
CSC1=CC(C)=CC=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009813	0	40	0.0	-9.81	352.18	4.83	-4.98
O=C(CCCC1=NN=N[N-]1)NCCOC1=CC=C(C(F)(F)F)C=N1	REAL000000009814	0	38	-1.0	-47.37	345.67	1.52	-45.85
O=C(CCCC1=N[N-]N=N1)NCCOC1=CC=C(C(F)(F)F)C=N1	REAL000000009814	1	38	-1.0	-47.36	345.61	1.52	-45.84
O=C(CCCC1=NNN=N1)NCCOC1=CC=C(C(F)(F)F)C=N1	REAL000000009814	1	39	0.0	-14.58	349.04	1.53	-13.05
O=C(CCC1=NN=N[N-]1)NCCOC1=CC=C(C(F)(F)F)C=N1	REAL000000009815	0	35	-1.0	-40.34	324.17	0.74	-39.60
O=C(CCC1=N[N-]N=N1)NCCOC1=CC=C(C(F)(F)F)C=N1	REAL000000009815	1	35	-1.0	-40.34	324.11	0.73	-39.61
O=C(CCC1=NNN=N1)NCCOC1=CC=C(C(F)(F)F)C=N1	REAL000000009815	1	36	0.0	-10.92	327.55	0.75	-10.18
O=C(NCCOC1=CC=C(C(F)(F)F)C=N1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009816	0	42	0.0	-16.06	374.20	4.37	-11.69
O=C(NCCOC1=CC=C(C(F)(F)F)C=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009817	0	39	0.0	-10.20	359.64	1.31	-8.89
CC1=CC=C(C2=NOC(C(C)NC(=O)CCCC3=NN=N[N-]3)=N2)C=C1F	REAL000000009818	0	43	-1.0	-47.24	377.06	3.63	-43.61
CC1=CC=C(C2=NOC(C(C)NC(=O)CCCC3=N[N-]N=N3)=N2)C=C1F	REAL000000009818	1	43	-1.0	-47.23	377.01	3.62	-43.61
CC1=CC=C(C2=NOC(C(C)NC(=O)CCCC3=NNN=N3)=N2)C=C1F	REAL000000009818	1	44	0.0	-15.22	380.44	3.64	-11.59
CC1=CC=C(C2=NOC(C(C)NC(=O)CCC3=NN=N[N-]3)=N2)C=C1F	REAL000000009819	0	40	-1.0	-40.74	355.56	2.85	-37.90
CC1=CC=C(C2=NOC(C(C)NC(=O)CCC3=N[N-]N=N3)=N2)C=C1F	REAL000000009819	1	40	-1.0	-40.74	355.51	2.84	-37.90
CC1=CC=C(C2=NOC(C(C)NC(=O)CCC3=NNN=N3)=N2)C=C1F	REAL000000009819	1	41	0.0	-12.08	358.94	2.86	-9.22
CC1=CC=C(C2=NOC(C(C)NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=N2)C=C1F	REAL000000009820	0	44	0.0	-10.88	391.04	3.42	-7.46
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(C(=O)NC2=CC=C(F)C=C2)C=C1	REAL000000009821	0	46	-1.0	-52.09	397.34	5.56	-46.53
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(C(=O)NC2=CC=C(F)C=C2)C=C1	REAL000000009821	1	46	-1.0	-52.07	397.29	5.56	-46.52
O=C(CCCC1=NNN=N1)NCC1=CC=C(C(=O)NC2=CC=C(F)C=C2)C=C1	REAL000000009821	1	47	0.0	-19.89	400.76	5.57	-14.32
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(C(=O)NC2=CC=C(F)C=C2)C=C1	REAL000000009822	0	43	-1.0	-44.88	375.85	4.78	-40.10
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(C(=O)NC2=CC=C(F)C=C2)C=C1	REAL000000009822	1	43	-1.0	-44.88	375.79	4.77	-40.11
O=C(CCC1=NNN=N1)NCC1=CC=C(C(=O)NC2=CC=C(F)C=C2)C=C1	REAL000000009822	1	44	0.0	-16.62	379.23	4.79	-11.83
COC1=CC(N2CCCN(C(=O)CCCC3=NN=N[N-]3)CC2)=CC(OC)=C1	REAL000000009823	0	52	-1.0	-50.17	398.97	4.65	-45.52
COC1=CC(N2CCCN(C(=O)CCCC3=N[N-]N=N3)CC2)=CC(OC)=C1	REAL000000009823	1	52	-1.0	-50.15	398.91	4.65	-45.51
COC1=CC(N2CCCN(C(=O)CCCC3=NNN=N3)CC2)=CC(OC)=C1	REAL000000009823	1	53	0.0	-16.60	402.34	4.66	-11.94
COC1=CC(N2CCCN(C(=O)CCC3=NN=N[N-]3)CC2)=CC(OC)=C1	REAL000000009824	0	49	-1.0	-43.61	377.48	3.86	-39.75
COC1=CC(N2CCCN(C(=O)CCC3=N[N-]N=N3)CC2)=CC(OC)=C1	REAL000000009824	1	49	-1.0	-43.62	377.43	3.87	-39.76
COC1=CC(N2CCCN(C(=O)CCC3=NNN=N3)CC2)=CC(OC)=C1	REAL000000009824	1	50	0.0	-12.26	380.84	3.87	-8.39
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(OC2CCOC2)=C1	REAL000000009825	0	47	-1.0	-48.55	384.76	3.81	-44.74
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(OC2CCOC2)=C1	REAL000000009825	1	47	-1.0	-48.54	384.71	3.80	-44.73
CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(OC2CCOC2)=C1	REAL000000009825	1	48	0.0	-15.02	388.14	3.82	-11.19
CC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C(OC2CCOC2)=C1	REAL000000009826	0	44	-1.0	-41.12	363.27	3.03	-38.09
CC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C(OC2CCOC2)=C1	REAL000000009826	1	44	-1.0	-41.12	363.21	3.02	-38.10
CC1=CC=C(CNC(=O)CCC2=NNN=N2)C(OC2CCOC2)=C1	REAL000000009826	1	45	0.0	-11.09	366.64	3.04	-8.05
CC1=CC=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(OC2CCOC2)=C1	REAL000000009827	0	51	0.0	-16.78	413.78	6.63	-10.15
CC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(OC2CCOC2)=C1	REAL000000009828	0	48	0.0	-10.58	398.73	3.60	-6.98
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCOC(C2CCCO2)C1	REAL000000009829	0	45	0.0	-10.29	350.04	5.12	-5.17
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCOC(C2CCCO2)C1	REAL000000009830	0	42	0.0	-10.85	336.39	2.60	-8.26
COCC(C)(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(=O)OC	REAL000000009831	0	42	0.0	-22.63	349.17	3.96	-18.67
COCC(C)(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(=O)OC	REAL000000009832	0	39	0.0	-14.48	334.61	0.89	-13.59
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1CCC(F)(F)F	REAL000000009833	0	38	-1.0	-48.17	331.37	6.19	-41.97
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1CCC(F)(F)F	REAL000000009833	1	38	-1.0	-48.15	331.31	6.19	-41.96
O=C(CCCC1=NNN=N1)NC1=CC=CC=C1CCC(F)(F)F	REAL000000009833	1	39	0.0	-14.74	334.09	6.15	-8.59
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1CCC(F)(F)F	REAL000000009834	0	35	-1.0	-40.64	309.22	5.36	-35.28
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1CCC(F)(F)F	REAL000000009834	1	35	-1.0	-40.64	309.16	5.36	-35.27
O=C(CCC1=NNN=N1)NC1=CC=CC=C1CCC(F)(F)F	REAL000000009834	1	36	0.0	-10.85	312.60	5.37	-5.48
O=C(NC1=CC=CC=C1CCC(F)(F)F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009835	0	42	0.0	-15.78	360.44	9.07	-6.71
O=C(NC1=CC=CC=C1CCC(F)(F)F)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009836	0	39	0.0	-9.87	345.37	5.98	-3.89
N#CCOC1=CC(F)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000009837	0	34	-1.0	-50.92	309.50	3.57	-47.35
N#CCOC1=CC(F)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000009837	1	34	-1.0	-50.91	309.44	3.57	-47.34
N#CCOC1=CC(F)=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000009837	1	35	0.0	-17.78	312.06	3.57	-14.21
N#CCOC1=CC(F)=CC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009838	0	38	0.0	-18.42	337.84	6.43	-11.98
N#CCOC1=CC(F)=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009839	0	35	0.0	-13.73	322.63	3.36	-10.37
CC(C)[NH+]1CCC(O)(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL000000009840	0	48	0.0	-70.46	360.80	1.95	-68.51
CC(C)[NH+]1CCC(O)(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL000000009840	1	48	0.0	-70.44	360.74	1.94	-68.50
CC(C)[NH+]1CCC(O)(CNC(=O)CCCC2=NNN=N2)CC1	REAL000000009840	1	49	1.0	-47.12	360.53	1.78	-45.34
CC(C)[NH+]1CCC(O)(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000009841	0	52	1.0	-48.85	389.31	4.81	-44.05
CC(C)[NH+]1CCC(O)(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000009842	0	49	1.0	-40.38	374.78	1.75	-38.63
CC(NC(=O)CCC1=NN=N[N-]1)C1=NC(C2=CC=C(Br)C=C2)=NO1	REAL000000009843	0	37	-1.0	-39.02	350.15	2.75	-36.28
CC(NC(=O)CCC1=N[N-]N=N1)C1=NC(C2=CC=C(Br)C=C2)=NO1	REAL000000009843	1	37	-1.0	-39.02	350.09	2.75	-36.28
CC(NC(=O)CCC1=NNN=N1)C1=NC(C2=CC=C(Br)C=C2)=NO1	REAL000000009843	1	38	0.0	-10.47	353.53	2.76	-7.72
CCC1=CC=C(C2=NOC(C(C)NC(=O)CCCC3=NN=N[N-]3)=N2)C=C1	REAL000000009844	0	46	-1.0	-47.26	393.25	4.35	-42.92
CCC1=CC=C(C2=NOC(C(C)NC(=O)CCCC3=N[N-]N=N3)=N2)C=C1	REAL000000009844	1	46	-1.0	-47.25	393.20	4.35	-42.90
CCC1=CC=C(C2=NOC(C(C)NC(=O)CCCC3=NNN=N3)=N2)C=C1	REAL000000009844	1	47	0.0	-14.96	396.63	4.35	-10.61
CCC1=CC=C(C2=NOC(C(C)NC(=O)CCC3=NN=N[N-]3)=N2)C=C1	REAL000000009845	0	43	-1.0	-40.55	371.76	3.57	-36.98
CCC1=CC=C(C2=NOC(C(C)NC(=O)CCC3=N[N-]N=N3)=N2)C=C1	REAL000000009845	1	43	-1.0	-40.54	371.70	3.56	-36.98
CCC1=CC=C(C2=NOC(C(C)NC(=O)CCC3=NNN=N3)=N2)C=C1	REAL000000009845	1	44	0.0	-11.59	375.13	3.58	-8.01
CCC1=CC=C(C2=NOC(C(C)NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=N2)C=C1	REAL000000009846	0	47	0.0	-10.36	407.23	4.14	-6.22
CC1C2=CC(F)=CC(F)=C2CCN1C(=O)CCCC1=NN=N[N-]1	REAL000000009847	0	39	-1.0	-46.81	326.00	6.58	-40.23
CC1C2=CC(F)=CC(F)=C2CCN1C(=O)CCCC1=N[N-]N=N1	REAL000000009847	1	39	-1.0	-46.81	325.95	6.58	-40.23
CC1C2=CC(F)=CC(F)=C2CCN1C(=O)CCCC1=NNN=N1	REAL000000009847	1	40	0.0	-13.64	321.77	6.39	-7.26
CC1C2=CC(F)=CC(F)=C2CCN1C(=O)CCC1=NN=N[N-]1	REAL000000009848	0	36	-1.0	-38.53	304.50	5.80	-32.73
CC1C2=CC(F)=CC(F)=C2CCN1C(=O)CCC1=N[N-]N=N1	REAL000000009848	1	36	-1.0	-38.52	304.45	5.80	-32.72
CC1C2=CC(F)=CC(F)=C2CCN1C(=O)CCC1=NNN=N1	REAL000000009848	1	37	0.0	-10.17	307.88	5.81	-4.36
CC1C2=CC(F)=CC(F)=C2CCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009849	0	43	0.0	-14.22	342.52	8.65	-5.57
CC1C2=CC(F)=CC(F)=C2CCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009850	0	40	0.0	-8.37	329.71	6.58	-1.79
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CC(=O)NC2CCCCC21	REAL000000009851	0	44	0.0	-15.11	336.15	4.43	-10.68
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CC(=O)NC2CCCCC21	REAL000000009852	0	41	0.0	-10.29	321.84	2.31	-7.98
CC(NC(=O)OC(C)(C)C)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL000000009853	0	55	-1.0	-49.56	420.01	5.01	-44.54
CC(NC(=O)OC(C)(C)C)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL000000009853	1	55	-1.0	-49.54	419.95	5.02	-44.53
CC(NC(=O)OC(C)(C)C)C1CCCN(C(=O)CCCC2=NNN=N2)C1	REAL000000009853	1	56	0.0	-16.78	423.41	5.03	-11.75
CC(NC(=O)OC(C)(C)C)C1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL000000009854	0	52	-1.0	-42.30	393.45	3.84	-38.47
CC(NC(=O)OC(C)(C)C)C1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL000000009854	1	52	-1.0	-42.30	393.39	3.84	-38.46
CC(NC(=O)OC(C)(C)C)C1CCCN(C(=O)CCC2=NNN=N2)C1	REAL000000009854	1	53	0.0	-12.90	396.85	3.86	-9.04
CC1=CC=C(OC(F)F)C(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL000000009855	0	39	-1.0	-48.23	338.73	3.75	-44.49
CC1=CC=C(OC(F)F)C(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL000000009855	1	39	-1.0	-48.23	338.68	3.75	-44.48
CC1=CC=C(OC(F)F)C(CNC(=O)CCCC2=NNN=N2)=C1	REAL000000009855	1	40	0.0	-15.25	342.11	3.76	-11.49
CC1=CC=C(OC(F)F)C(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL000000009856	0	36	-1.0	-41.30	317.23	2.97	-38.33
CC1=CC=C(OC(F)F)C(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL000000009856	1	36	-1.0	-41.30	317.18	2.96	-38.34
CC1=CC=C(OC(F)F)C(CNC(=O)CCC2=NNN=N2)=C1	REAL000000009856	1	37	0.0	-11.64	320.61	2.98	-8.66
CC1=CC=C(OC(F)F)C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009857	0	43	0.0	-16.59	367.66	6.58	-10.02
CC1=CC=C(OC(F)F)C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000009858	0	40	0.0	-11.06	352.71	3.54	-7.51
CCOC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1OC(F)F	REAL000000009859	0	43	-1.0	-50.19	368.78	4.03	-46.17
CCOC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1OC(F)F	REAL000000009859	1	43	-1.0	-50.18	368.72	4.02	-46.16
CCOC1=CC=CC(CNC(=O)CCCC2=NNN=N2)=C1OC(F)F	REAL000000009859	1	44	0.0	-16.85	372.17	4.03	-12.82
CCOC1=CC=CC(CNC(=O)CCC2=NN=N[N-]2)=C1OC(F)F	REAL000000009860	0	40	-1.0	-43.46	347.27	3.23	-40.23
CCOC1=CC=CC(CNC(=O)CCC2=N[N-]N=N2)=C1OC(F)F	REAL000000009860	1	40	-1.0	-43.46	347.22	3.24	-40.23
CCOC1=CC=CC(CNC(=O)CCC2=NNN=N2)=C1OC(F)F	REAL000000009860	1	41	0.0	-13.49	350.17	3.16	-10.33
CCOC1=CC=CC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1OC(F)F	REAL000000009861	0	44	0.0	-13.02	382.20	3.73	-9.30
CCCC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCC1	REAL000000009862	0	45	0.0	-14.60	351.32	7.30	-7.30
CCCC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCC1	REAL000000009863	0	42	0.0	-7.75	336.68	4.27	-3.48
COC(C)(C)CN(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009864	0	42	0.0	-13.95	322.93	5.32	-8.63
O=C(CCCC1=NN=N[N-]1)N1CCC(=CC2=CC=CC=C2F)CC1	REAL000000009865	0	43	-1.0	-48.13	349.53	7.73	-40.39
O=C(CCCC1=N[N-]N=N1)N1CCC(=CC2=CC=CC=C2F)CC1	REAL000000009865	1	43	-1.0	-48.11	349.47	7.74	-40.38
O=C(CCCC1=NNN=N1)N1CCC(=CC2=CC=CC=C2F)CC1	REAL000000009865	1	44	0.0	-15.91	352.90	7.74	-8.17
O=C(CCC1=NN=N[N-]1)N1CCC(=CC2=CC=CC=C2F)CC1	REAL000000009866	0	40	-1.0	-39.78	328.02	6.95	-32.83
O=C(CCC1=N[N-]N=N1)N1CCC(=CC2=CC=CC=C2F)CC1	REAL000000009866	1	40	-1.0	-39.78	327.97	6.95	-32.83
O=C(CCC1=NNN=N1)N1CCC(=CC2=CC=CC=C2F)CC1	REAL000000009866	1	41	0.0	-11.13	331.39	6.96	-4.17
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC(=CC2=CC=CC=C2F)CC1	REAL000000009867	0	47	0.0	-16.55	377.23	10.24	-6.31
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC(=CC2=CC=CC=C2F)CC1	REAL000000009868	0	44	0.0	-10.52	360.45	7.97	-2.54
O=C(CCCC1=NN=N[N-]1)N(CCC1=CC=C(F)C=C1)C1CCCC1	REAL000000009869	0	48	-1.0	-47.01	374.56	8.75	-38.27
O=C(CCCC1=N[N-]N=N1)N(CCC1=CC=C(F)C=C1)C1CCCC1	REAL000000009869	1	48	-1.0	-47.00	374.50	8.74	-38.26
O=C(CCCC1=NNN=N1)N(CCC1=CC=C(F)C=C1)C1CCCC1	REAL000000009869	1	49	0.0	-13.81	377.94	8.76	-5.05
O=C(CCC1=NN=N[N-]1)N(CCC1=CC=C(F)C=C1)C1CCCC1	REAL000000009870	0	45	-1.0	-40.00	360.38	8.19	-31.81
O=C(CCC1=N[N-]N=N1)N(CCC1=CC=C(F)C=C1)C1CCCC1	REAL000000009870	1	45	-1.0	-40.00	360.32	8.18	-31.81
O=C(CCC1=NNN=N1)N(CCC1=CC=C(F)C=C1)C1CCCC1	REAL000000009870	1	46	0.0	-9.68	356.44	7.98	-1.70
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N(CCC1=CC=C(F)C=C1)C1CCCC1	REAL000000009871	0	52	0.0	-15.95	403.53	11.43	-4.51
O=C(C1=CC=C(C2=NNN=N2)C=N1)N(CCC1=CC=C(F)C=C1)C1CCCC1	REAL000000009872	0	49	0.0	-9.34	384.94	9.56	0.22
CC(C)CN(CC(C)(C)C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009873	0	50	0.0	-14.64	362.93	8.67	-5.97
CC(C)CN(CC(C)(C)C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009874	0	47	0.0	-7.90	347.99	7.50	-0.40
O=C(CCCC1=NN=N[N-]1)NC(C1=CC=CC(Cl)=C1)C1CCCCC1	REAL000000009875	0	48	-1.0	-47.92	388.69	8.40	-39.52
O=C(CCCC1=N[N-]N=N1)NC(C1=CC=CC(Cl)=C1)C1CCCCC1	REAL000000009875	1	48	-1.0	-47.91	388.63	8.40	-39.51
O=C(CCCC1=NNN=N1)NC(C1=CC=CC(Cl)=C1)C1CCCCC1	REAL000000009875	1	49	0.0	-13.73	385.05	8.00	-5.74
O=C(CCC1=NN=N[N-]1)NC(C1=CC=CC(Cl)=C1)C1CCCCC1	REAL000000009876	0	45	-1.0	-39.50	373.02	7.63	-31.87
O=C(CCC1=N[N-]N=N1)NC(C1=CC=CC(Cl)=C1)C1CCCCC1	REAL000000009876	1	45	-1.0	-39.50	372.97	7.63	-31.87
O=C(CCC1=NNN=N1)NC(C1=CC=CC(Cl)=C1)C1CCCCC1	REAL000000009876	1	46	0.0	-10.62	370.05	7.65	-2.97
O=C(NC(C1=CC=CC(Cl)=C1)C1CCCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009877	0	49	0.0	-8.92	402.15	8.23	-0.69
O=C(NC(CCO)C1=CC=CC=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009878	0	43	0.0	-15.01	350.40	4.48	-10.53
O=C(NC(CCO)C1=CC=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009879	0	40	0.0	-9.46	335.89	1.41	-8.05
O=C(NC1CCCCC1CO)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009880	0	43	0.0	-15.33	339.89	3.62	-11.71
O=C(NC1CCCCC1CO)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009881	0	40	0.0	-8.88	325.36	0.56	-8.32
O=C(NC1=CC(F)=CC(Cl)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009882	0	30	0.0	-8.05	290.16	3.75	-4.30
COC1=CC(C(C)NC(=O)CCCC2=NN=N[N-]2)=CC=C1OCCO	REAL000000009883	0	47	-1.0	-53.28	388.61	1.42	-51.87
COC1=CC(C(C)NC(=O)CCCC2=N[N-]N=N2)=CC=C1OCCO	REAL000000009883	1	47	-1.0	-53.27	388.56	1.42	-51.85
COC1=CC(C(C)NC(=O)CCCC2=NNN=N2)=CC=C1OCCO	REAL000000009883	1	48	0.0	-20.57	392.00	1.43	-19.14
COC1=CC(C(C)NC(=O)CCC2=NN=N[N-]2)=CC=C1OCCO	REAL000000009884	0	44	-1.0	-45.19	367.11	0.64	-44.56
COC1=CC(C(C)NC(=O)CCC2=N[N-]N=N2)=CC=C1OCCO	REAL000000009884	1	44	-1.0	-45.19	367.05	0.64	-44.55
COC1=CC(C(C)NC(=O)CCC2=NNN=N2)=CC=C1OCCO	REAL000000009884	1	45	0.0	-16.61	370.48	0.65	-15.96
COC1=CC(C(C)NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CC=C1OCCO	REAL000000009885	0	51	0.0	-21.94	417.15	4.28	-17.65
COC1=CC(C(C)NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC=C1OCCO	REAL000000009886	0	48	0.0	-15.31	402.59	1.21	-14.10
O=C(NC(CCO)C1CCCCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009887	0	49	0.0	-14.12	369.88	4.91	-9.21
O=C(NC(CCO)C1CCCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009888	0	46	0.0	-8.51	357.70	1.75	-6.76
COC1=CC=CC=C1N1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL000000009889	0	45	-1.0	-50.07	363.21	2.80	-47.27
COC1=CC=CC=C1N1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL000000009889	1	45	-1.0	-50.06	363.16	2.79	-47.27
COC1=CC=CC=C1N1CCC(NC(=O)CCCC2=NNN=N2)C1	REAL000000009889	1	46	0.0	-16.86	366.59	2.81	-14.05
COC1=CC=CC=C1N1CCC(NC(=O)CCC2=NN=N[N-]2)C1	REAL000000009890	0	42	-1.0	-41.46	337.99	1.99	-39.47
COC1=CC=CC=C1N1CCC(NC(=O)CCC2=N[N-]N=N2)C1	REAL000000009890	1	42	-1.0	-41.45	337.93	1.98	-39.47
COC1=CC=CC=C1N1CCC(NC(=O)CCC2=NNN=N2)C1	REAL000000009890	1	43	0.0	-12.61	342.13	1.97	-10.64
COC1=CC=CC=C1N1CCC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000009891	0	49	0.0	-17.73	388.49	5.59	-12.14
COC1=CC=CC=C1N1CCC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000009892	0	46	0.0	-11.18	377.18	2.59	-8.59
COC1=CC=CC=C1N1CCC(NC(=O)CCCC2=NN=N[N-]2)C1=O	REAL000000009893	0	44	-1.0	-62.91	372.06	3.61	-59.30
COC1=CC=CC=C1N1CCC(NC(=O)CCCC2=N[N-]N=N2)C1=O	REAL000000009893	1	44	-1.0	-62.89	372.00	3.61	-59.28
COC1=CC=CC=C1N1CCC(NC(=O)CCCC2=NNN=N2)C1=O	REAL000000009893	1	45	0.0	-27.79	375.44	3.62	-24.16
COC1=CC=CC=C1N1CCC(NC(=O)CCC2=NN=N[N-]2)C1=O	REAL000000009894	0	41	-1.0	-52.99	350.20	2.82	-50.17
COC1=CC=CC=C1N1CCC(NC(=O)CCC2=N[N-]N=N2)C1=O	REAL000000009894	1	41	-1.0	-52.99	350.15	2.82	-50.17
COC1=CC=CC=C1N1CCC(NC(=O)CCC2=NNN=N2)C1=O	REAL000000009894	1	42	0.0	-22.38	353.94	2.83	-19.55
COC1=CC=CC=C1N1CCC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1=O	REAL000000009895	0	48	0.0	-29.93	400.59	6.47	-23.46
COC1=CC=CC=C1N1CCC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C1=O	REAL000000009896	0	45	0.0	-20.81	386.02	3.42	-17.39
CCC1(C)CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000009897	0	42	0.0	-15.93	321.77	6.84	-9.08
CCC(=O)N1CCC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000009898	0	43	0.0	-19.78	352.12	4.94	-14.83
CCC(=O)N1CCC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000009899	0	40	0.0	-13.85	337.54	1.87	-11.98
CN(C1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL000000009900	0	47	-1.0	-46.28	371.16	5.90	-40.38
CN(C1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL000000009900	1	47	-1.0	-46.27	371.10	5.90	-40.37
CN(C1=CC=CC=C1NC(=O)CCCC1=NNN=N1)C1CCCC1	REAL000000009900	1	48	0.0	-12.54	371.84	5.81	-6.73
CN(C1=CC=CC=C1NC(=O)CCC1=NN=N[N-]1)C1CCCC1	REAL000000009901	0	44	-1.0	-39.48	346.97	5.03	-34.46
CN(C1=CC=CC=C1NC(=O)CCC1=N[N-]N=N1)C1CCCC1	REAL000000009901	1	44	-1.0	-39.49	346.91	5.03	-34.46
CN(C1=CC=CC=C1NC(=O)CCC1=NNN=N1)C1CCCC1	REAL000000009901	1	45	0.0	-8.71	350.34	5.03	-3.68
CN(C1=CC=CC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CCCC1	REAL000000009902	0	51	0.0	-14.16	400.75	8.67	-5.49
CN(C1=CC=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCCC1	REAL000000009903	0	48	0.0	-8.34	383.97	5.70	-2.64
O=C(CCCC1=NN=N[N-]1)NC(C1=CC=CC(Cl)=C1)C1=CC=CC=N1	REAL000000009904	0	41	-1.0	-48.44	368.78	6.27	-42.17
O=C(CCCC1=N[N-]N=N1)NC(C1=CC=CC(Cl)=C1)C1=CC=CC=N1	REAL000000009904	1	41	-1.0	-48.43	368.72	6.26	-42.17
O=C(CCCC1=NNN=N1)NC(C1=CC=CC(Cl)=C1)C1=CC=CC=N1	REAL000000009904	1	42	0.0	-15.02	372.16	6.28	-8.74
O=C(CCC1=NN=N[N-]1)NC(C1=CC=CC(Cl)=C1)C1=CC=CC=N1	REAL000000009905	0	38	-1.0	-41.08	347.28	5.48	-35.60
O=C(CCC1=N[N-]N=N1)NC(C1=CC=CC(Cl)=C1)C1=CC=CC=N1	REAL000000009905	1	38	-1.0	-41.07	347.23	5.48	-35.59
O=C(CCC1=NNN=N1)NC(C1=CC=CC(Cl)=C1)C1=CC=CC=N1	REAL000000009905	1	39	0.0	-13.34	345.59	5.49	-7.85
O=C(NC(C1=CC=CC(Cl)=C1)C1=CC=CC=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009906	0	42	0.0	-10.54	382.75	6.06	-4.48
CC1=NC(CC(C)C)=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL000000009907	0	40	-1.0	-46.82	335.35	4.24	-42.58
CC1=NC(CC(C)C)=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL000000009907	1	40	-1.0	-46.80	335.29	4.24	-42.56
CC1=NC(CC(C)C)=C(NC(=O)CCCC2=NNN=N2)S1	REAL000000009907	1	41	0.0	-15.11	343.80	4.18	-10.92
CC1=NC(CC(C)C)=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)S1	REAL000000009908	0	44	0.0	-15.77	368.90	7.03	-8.74
CC1=NC(CC(C)C)=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)S1	REAL000000009909	0	41	0.0	-9.58	349.29	4.04	-5.54
CC(C)CCC1CCCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009910	0	51	0.0	-14.25	377.12	9.29	-4.97
CC(C)CCC1CCCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009911	0	48	0.0	-7.57	361.02	7.17	-0.40
O=C(NC(CCO)C1CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009912	0	40	0.0	-15.01	325.40	3.20	-11.82
O=C(N[C@H]1CC[C@@H](CO)CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009913	0	43	0.0	-17.55	337.09	3.78	-13.77
O=C(N[C@H]1CC[C@@H](CO)CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009914	0	40	0.0	-10.36	322.55	0.71	-9.64
O=C(N[C@@H]1C=C[C@H](CO)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009915	0	38	0.0	-17.92	316.18	2.58	-15.33
O=C(N[C@H]1CC[C@H](CO)CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009916	0	43	0.0	-16.20	341.51	3.36	-12.83
O=C(N[C@H]1CC[C@H](CO)CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009917	0	40	0.0	-10.40	326.99	0.30	-10.11
CSC(CO)C(C)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009918	0	40	0.0	-15.41	332.07	3.80	-11.61
CSC(CO)C(C)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009919	0	37	0.0	-10.06	317.51	0.73	-9.33
COCC(CCO)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009920	0	40	0.0	-14.41	325.75	0.63	-13.79
O=C(CCCC1=NN=N[N-]1)NC(CCCO)C1=CC=CC=C1	REAL000000009921	0	42	-1.0	-50.79	352.12	2.94	-47.84
O=C(CCCC1=N[N-]N=N1)NC(CCCO)C1=CC=CC=C1	REAL000000009921	1	42	-1.0	-50.77	352.07	2.93	-47.84
O=C(CCCC1=NNN=N1)NC(CCCO)C1=CC=CC=C1	REAL000000009921	1	43	0.0	-16.01	346.79	2.37	-13.64
O=C(NC(CCCO)C1=CC=CC=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009922	0	46	0.0	-18.30	371.90	5.22	-13.07
O=C(NC(CCCO)C1=CC=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009923	0	43	0.0	-11.63	366.10	2.73	-8.90
CSCC(CCO)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009924	0	40	0.0	-15.99	337.97	2.74	-13.25
CSCC(CCO)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009925	0	37	0.0	-10.09	323.19	-0.25	-10.34
O=C(NC(CCO)C1=CC=CS1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009926	0	40	0.0	-13.73	342.46	3.50	-10.23
O=C(NC(CCO)C1=CC=CS1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009927	0	37	0.0	-9.03	327.51	0.47	-8.55
CC(CO)(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CC1	REAL000000009928	0	40	0.0	-15.96	317.85	2.73	-13.24
CCC(CC(C)CO)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009929	0	45	0.0	-16.84	352.24	3.74	-13.10
CCC(CC(C)CO)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009930	0	42	0.0	-10.42	337.69	0.68	-9.74
CC1COC(CO)CN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009931	0	41	0.0	-17.97	321.20	1.93	-16.04
CC1COC(CO)CN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009932	0	38	0.0	-11.94	310.67	-0.11	-12.05
O=C(CCCC1=NN=N[N-]1)NCCNC(=O)NC1CCCCC1	REAL000000009933	0	47	-1.0	-50.84	378.63	1.04	-49.80
O=C(CCCC1=N[N-]N=N1)NCCNC(=O)NC1CCCCC1	REAL000000009933	1	47	-1.0	-50.82	378.57	1.04	-49.79
O=C(CCCC1=NNN=N1)NCCNC(=O)NC1CCCCC1	REAL000000009933	1	48	0.0	-18.19	382.01	1.05	-17.15
O=C(CCC1=NN=N[N-]1)NCCNC(=O)NC1CCCCC1	REAL000000009934	0	44	-1.0	-44.38	357.13	0.26	-44.13
O=C(CCC1=N[N-]N=N1)NCCNC(=O)NC1CCCCC1	REAL000000009934	1	44	-1.0	-44.37	357.07	0.26	-44.12
O=C(CCC1=NNN=N1)NCCNC(=O)NC1CCCCC1	REAL000000009934	1	45	0.0	-14.82	360.51	0.27	-14.55
O=C(NCCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)NC1CCCCC1	REAL000000009935	0	51	0.0	-19.37	407.17	3.90	-15.47
O=C(NCCNC(=O)C1=CC=C(C2=NNN=N2)C=N1)NC1CCCCC1	REAL000000009936	0	48	0.0	-13.98	392.60	0.83	-13.15
CCSC(C)C1=NOC(CN(C)C(=O)CCCC2=NN=N[N-]2)=N1	REAL000000009937	0	43	-1.0	-52.54	372.75	3.65	-48.90
CCSC(C)C1=NOC(CN(C)C(=O)CCCC2=N[N-]N=N2)=N1	REAL000000009937	1	43	-1.0	-52.54	372.69	3.65	-48.89
CCSC(C)C1=NOC(CN(C)C(=O)CCCC2=NNN=N2)=N1	REAL000000009937	1	44	0.0	-19.07	376.13	3.66	-15.41
CCSC(C)C1=NOC(CN(C)C(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000009939	0	47	0.0	-20.51	399.51	6.17	-14.33
CCSC(C)C1=NOC(CN(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000009940	0	44	0.0	-14.22	384.45	4.02	-10.19
O=C(CCCC1=NN=N[N-]1)NC1CC(=O)N(C2CCCCC2)C1	REAL000000009941	0	46	-1.0	-52.66	361.21	4.08	-48.58
O=C(CCCC1=N[N-]N=N1)NC1CC(=O)N(C2CCCCC2)C1	REAL000000009941	1	46	-1.0	-52.64	361.15	4.08	-48.56
O=C(CCCC1=NNN=N1)NC1CC(=O)N(C2CCCCC2)C1	REAL000000009941	1	47	0.0	-20.32	364.59	4.09	-16.23
O=C(CCC1=NN=N[N-]1)NC1CC(=O)N(C2CCCCC2)C1	REAL000000009942	0	43	-1.0	-44.02	339.70	3.30	-40.72
O=C(CCC1=N[N-]N=N1)NC1CC(=O)N(C2CCCCC2)C1	REAL000000009942	1	43	-1.0	-44.01	339.64	3.30	-40.71
O=C(CCC1=NNN=N1)NC1CC(=O)N(C2CCCCC2)C1	REAL000000009942	1	44	0.0	-15.19	343.48	3.31	-11.88
O=C(NC1CC(=O)N(C2CCCCC2)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009943	0	50	0.0	-21.35	389.73	6.95	-14.40
O=C(NC1CC(=O)N(C2CCCCC2)C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009944	0	47	0.0	-14.07	375.18	3.87	-10.20
CC(C)COC1=CC=C(C(C)NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL000000009945	0	48	-1.0	-47.36	389.57	6.07	-41.29
CC(C)COC1=CC=C(C(C)NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL000000009945	1	48	-1.0	-47.34	389.52	6.06	-41.29
CC(C)COC1=CC=C(C(C)NC(=O)CCCC2=NNN=N2)C=C1	REAL000000009945	1	49	0.0	-14.50	392.95	6.08	-8.42
CC(C)COC1=CC=C(C(C)NC(=O)CCC2=NN=N[N-]2)C=C1	REAL000000009946	0	45	-1.0	-39.68	368.08	5.29	-34.39
CC(C)COC1=CC=C(C(C)NC(=O)CCC2=N[N-]N=N2)C=C1	REAL000000009946	1	45	-1.0	-39.67	368.02	5.28	-34.39
CC(C)COC1=CC=C(C(C)NC(=O)CCC2=NNN=N2)C=C1	REAL000000009946	1	46	0.0	-10.16	371.48	5.29	-4.87
CC(C)COC1=CC=C(C(C)NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000009947	0	52	0.0	-16.13	418.50	8.89	-7.24
CC(C)COC1=CC=C(C(C)NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000009948	0	49	0.0	-9.44	403.55	5.86	-3.58
CNC(=O)C1CCCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009949	0	43	0.0	-19.38	341.13	5.51	-13.87
CNC(=O)C1CCCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009950	0	40	0.0	-16.59	320.61	3.31	-13.28
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](C2CCCCC2O)CC1	REAL000000009951	0	52	0.0	-66.45	384.22	2.96	-63.48
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](C2CCCCC2O)CC1	REAL000000009951	1	52	0.0	-66.43	384.17	2.96	-63.47
O=C(CCCC1=NNN=N1)NC1CC[NH+](C2CCCCC2O)CC1	REAL000000009951	1	53	1.0	-43.57	387.60	2.97	-40.60
O=C(CCC1=NN=N[N-]1)NC1CC[NH+](C2CCCCC2O)CC1	REAL000000009952	0	49	0.0	-59.51	362.72	2.18	-57.33
O=C(CCC1=N[N-]N=N1)NC1CC[NH+](C2CCCCC2O)CC1	REAL000000009952	1	49	0.0	-59.50	362.67	2.18	-57.32
O=C(CCC1=NNN=N1)NC1CC[NH+](C2CCCCC2O)CC1	REAL000000009952	1	50	1.0	-40.69	366.10	2.19	-38.49
O=C(NC1CC[NH+](C2CCCCC2O)CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009953	0	56	1.0	-45.24	413.25	5.78	-39.46
O=C(NC1CC[NH+](C2CCCCC2O)CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009954	0	53	1.0	-39.85	398.17	2.76	-37.09
O=C(NC1CCCC(F)(F)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009955	0	39	0.0	-17.48	321.13	6.16	-11.31
O=C(NC1CCCC(F)(F)C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009956	0	36	0.0	-10.24	306.58	3.10	-7.13
CN(CCOCC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL000000009957	0	42	-1.0	-46.92	350.46	5.80	-41.12
CN(CCOCC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL000000009957	1	42	-1.0	-46.91	350.40	5.80	-41.11
CN(CCOCC1=CC=CC=C1)C(=O)CCCC1=NNN=N1	REAL000000009957	1	43	0.0	-13.40	353.84	5.81	-7.59
CN(CCOCC1=CC=CC=C1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009958	0	46	0.0	-15.77	378.20	8.19	-7.58
CN(CCOCC1=CC=CC=C1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009959	0	43	0.0	-9.96	362.72	6.11	-3.85
O=C(CCCC1=NN=N[N-]1)N(CC1=CC=CC=C1)CC(O)C1=CSC=C1	REAL000000009960	0	46	-1.0	-51.18	394.29	6.15	-45.02
O=C(CCCC1=N[N-]N=N1)N(CC1=CC=CC=C1)CC(O)C1=CSC=C1	REAL000000009960	1	46	-1.0	-51.17	394.23	6.14	-45.03
O=C(CCCC1=NNN=N1)N(CC1=CC=CC=C1)CC(O)C1=CSC=C1	REAL000000009960	1	47	0.0	-16.78	398.11	6.16	-10.62
O=C(CCC1=NN=N[N-]1)N(CC1=CC=CC=C1)CC(O)C1=CSC=C1	REAL000000009961	0	43	-1.0	-42.69	371.26	5.58	-37.11
O=C(CCC1=N[N-]N=N1)N(CC1=CC=CC=C1)CC(O)C1=CSC=C1	REAL000000009961	1	43	-1.0	-42.69	371.21	5.57	-37.12
O=C(CCC1=NNN=N1)N(CC1=CC=CC=C1)CC(O)C1=CSC=C1	REAL000000009961	1	44	0.0	-10.47	369.00	6.04	-4.43
COC(=O)C(COC(C)C)N(C)C(=O)CCCC1=NN=N[N-]1	REAL000000009962	0	44	-1.0	-47.01	359.36	4.40	-42.61
COC(=O)C(COC(C)C)N(C)C(=O)CCCC1=N[N-]N=N1	REAL000000009962	1	44	-1.0	-47.00	359.30	4.39	-42.61
COC(=O)C(COC(C)C)N(C)C(=O)CCCC1=NNN=N1	REAL000000009962	1	45	0.0	-14.23	362.73	4.41	-9.82
COC(=O)C(COC(C)C)N(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009963	0	48	0.0	-16.54	387.05	6.77	-9.77
COC(=O)C(COC(C)C)N(C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009964	0	45	0.0	-10.68	370.51	4.79	-5.89
COC1=CC(N2CCC(CNC(=O)CCCC3=NN=N[N-]3)C2)=CC(OC)=C1	REAL000000009965	0	52	-1.0	-51.05	413.20	2.42	-48.63
COC1=CC(N2CCC(CNC(=O)CCCC3=N[N-]N=N3)C2)=CC(OC)=C1	REAL000000009965	1	52	-1.0	-51.04	413.14	2.42	-48.62
COC1=CC(N2CCC(CNC(=O)CCCC3=NNN=N3)C2)=CC(OC)=C1	REAL000000009965	1	53	0.0	-18.21	414.56	2.47	-15.74
COC1=CC(N2CCC(CNC(=O)CCC3=NN=N[N-]3)C2)=CC(OC)=C1	REAL000000009966	0	49	-1.0	-43.13	391.70	1.64	-41.49
COC1=CC(N2CCC(CNC(=O)CCC3=N[N-]N=N3)C2)=CC(OC)=C1	REAL000000009966	1	49	-1.0	-43.13	391.64	1.63	-41.49
COC1=CC(N2CCC(CNC(=O)CCC3=NNN=N3)C2)=CC(OC)=C1	REAL000000009966	1	50	0.0	-13.91	395.08	1.65	-12.26
CN1C=CN=C1C1=CSC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL000000009967	0	35	-1.0	-49.48	317.34	4.11	-45.38
CN1C=CN=C1C1=CSC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL000000009967	1	35	-1.0	-49.46	317.28	4.10	-45.36
CN1C=CN=C1C1=CSC(NC(=O)CCCC2=NNN=N2)=N1	REAL000000009967	1	36	0.0	-18.66	320.72	4.12	-14.54
CN1C=CN=C1C1=CSC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL000000009968	0	32	-1.0	-40.95	295.84	3.33	-37.63
CN1C=CN=C1C1=CSC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL000000009968	1	32	-1.0	-40.95	295.78	3.32	-37.63
CN1C=CN=C1C1=CSC(NC(=O)CCC2=NNN=N2)=N1	REAL000000009968	1	33	0.0	-14.65	299.21	3.34	-11.31
CN1C=CN=C1C1=CSC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000009969	0	39	0.0	-18.02	345.85	6.96	-11.07
CN1C=CN=C1C1=CSC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000009970	0	36	0.0	-12.39	331.28	3.90	-8.49
COC(=O)C(COC1CCC1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL000000009971	0	45	-1.0	-47.03	366.24	5.04	-41.99
COC(=O)C(COC1CCC1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL000000009971	1	45	-1.0	-47.02	366.18	5.03	-41.99
COC(=O)C(COC1CCC1)N(C)C(=O)CCCC1=NNN=N1	REAL000000009971	1	46	0.0	-13.99	369.62	5.05	-8.94
COC(=O)C(COC1CCC1)N(C)C(=O)CCC1=NN=N[N-]1	REAL000000009972	0	42	-1.0	-40.95	343.96	4.29	-36.66
COC(=O)C(COC1CCC1)N(C)C(=O)CCC1=N[N-]N=N1	REAL000000009972	1	42	-1.0	-40.95	343.90	4.28	-36.67
COC(=O)C(COC1CCC1)N(C)C(=O)CCC1=NNN=N1	REAL000000009972	1	43	0.0	-11.01	348.12	4.27	-6.75
COC(=O)C(COC1CCC1)N(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009973	0	49	0.0	-16.59	393.94	7.42	-9.18
COC(=O)C(COC1CCC1)N(C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009974	0	46	0.0	-10.98	377.32	5.47	-5.52
O=C(CCCC1=NN=N[N-]1)NCC1=CC2=C(C=C1OC(F)F)OCO2	REAL000000009975	0	39	-1.0	-49.80	343.37	1.73	-48.06
O=C(CCCC1=N[N-]N=N1)NCC1=CC2=C(C=C1OC(F)F)OCO2	REAL000000009975	1	39	-1.0	-49.78	343.31	1.73	-48.04
O=C(CCCC1=NNN=N1)NCC1=CC2=C(C=C1OC(F)F)OCO2	REAL000000009975	1	40	0.0	-17.61	346.75	1.74	-15.86
O=C(CCC1=NN=N[N-]1)NCC1=CC2=C(C=C1OC(F)F)OCO2	REAL000000009976	0	36	-1.0	-42.84	321.87	0.95	-41.88
O=C(CCC1=N[N-]N=N1)NCC1=CC2=C(C=C1OC(F)F)OCO2	REAL000000009976	1	36	-1.0	-42.83	321.81	0.94	-41.88
O=C(CCC1=NNN=N1)NCC1=CC2=C(C=C1OC(F)F)OCO2	REAL000000009976	1	37	0.0	-14.03	325.25	0.96	-13.07
O=C(NCC1=CC2=C(C=C1OC(F)F)OCO2)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009977	0	40	0.0	-13.10	357.34	1.53	-11.57
O=C(CCCC1=NN=N[N-]1)NC1=CC=NC=C1I	REAL000000009978	0	28	-1.0	-43.77	272.41	2.80	-40.97
O=C(CCCC1=N[N-]N=N1)NC1=CC=NC=C1I	REAL000000009978	1	28	-1.0	-43.75	272.36	2.80	-40.95
O=C(CCCC1=NNN=N1)NC1=CC=NC=C1I	REAL000000009978	1	29	0.0	-12.30	275.79	2.81	-9.49
O=C(CCC1=NN=N[N-]1)NC1=CC=NC=C1I	REAL000000009979	0	25	-1.0	-36.76	251.81	2.04	-34.71
O=C(CCC1=N[N-]N=N1)NC1=CC=NC=C1I	REAL000000009979	1	25	-1.0	-36.75	251.75	2.04	-34.71
O=C(CCC1=NNN=N1)NC1=CC=NC=C1I	REAL000000009979	1	26	0.0	-8.96	255.18	2.05	-6.91
O=C(NC1=CC=NC=C1I)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009980	0	29	0.0	-8.07	287.28	2.61	-5.46
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(F)C=C1NC1CC1	REAL000000009981	0	38	-1.0	-46.82	321.74	4.19	-42.63
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(F)C=C1NC1CC1	REAL000000009981	1	38	-1.0	-46.80	321.68	4.18	-42.62
O=C(CCCC1=NNN=N1)NC1=CC=C(F)C=C1NC1CC1	REAL000000009981	1	39	0.0	-14.55	326.06	4.22	-10.34
O=C(NC1=CC=C(F)C=C1NC1CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009982	0	42	0.0	-15.31	351.67	7.09	-8.22
O=C(NC1=CC=C(F)C=C1NC1CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009983	0	39	0.0	-8.68	336.65	4.00	-4.67
CN(C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CCC(CO)CC1	REAL000000009984	0	46	0.0	-16.88	353.67	4.79	-12.09
CN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCC(CO)CC1	REAL000000009985	0	43	0.0	-11.32	326.17	2.71	-8.61
CCCNC1=CC=C(C(F)(F)F)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000009986	0	43	-1.0	-50.37	367.20	5.05	-45.32
CCCNC1=CC=C(C(F)(F)F)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000009986	1	43	-1.0	-50.36	367.14	5.04	-45.32
CCCNC1=CC=C(C(F)(F)F)C=C1NC(=O)CCCC1=NNN=N1	REAL000000009986	1	44	0.0	-16.64	370.58	5.06	-11.58
CCCNC1=CC=C(C(F)(F)F)C=C1NC(=O)CCC1=NN=N[N-]1	REAL000000009987	0	40	-1.0	-41.19	345.71	4.27	-36.92
CCCNC1=CC=C(C(F)(F)F)C=C1NC(=O)CCC1=N[N-]N=N1	REAL000000009987	1	40	-1.0	-41.19	345.65	4.26	-36.93
CCCNC1=CC=C(C(F)(F)F)C=C1NC(=O)CCC1=NNN=N1	REAL000000009987	1	41	0.0	-12.10	349.42	4.28	-7.82
CCCNC1=CC=C(C(F)(F)F)C=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009988	0	44	0.0	-10.50	381.17	4.85	-5.65
CCNC1=CC=C(C#N)C=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009989	0	39	0.0	-12.85	341.70	3.48	-9.36
COC(=O)C(C)(C)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009990	0	41	0.0	-20.86	338.81	5.57	-15.29
COC(=O)C(C)(C)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009991	0	38	0.0	-12.47	324.26	2.50	-9.97
O=C(CCCC1=NN=N[N-]1)N1CCCC1CCC1CCCC1	REAL000000009992	0	48	-1.0	-48.66	366.90	7.67	-40.99
O=C(CCCC1=N[N-]N=N1)N1CCCC1CCC1CCCC1	REAL000000009992	1	48	-1.0	-48.65	366.85	7.67	-40.98
O=C(CCCC1=NNN=N1)N1CCCC1CCC1CCCC1	REAL000000009992	1	49	0.0	-13.83	370.26	7.68	-6.15
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCCC1CCC1CCCC1	REAL000000009993	0	52	0.0	-14.52	384.50	9.79	-4.73
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCCC1CCC1CCCC1	REAL000000009994	0	49	0.0	-9.37	377.78	7.98	-1.40
O=C(CCCC1=NN=N[N-]1)N1CCCC1CCC1CCCCC1	REAL000000009995	0	51	-1.0	-48.74	383.43	8.25	-40.49
O=C(CCCC1=N[N-]N=N1)N1CCCC1CCC1CCCCC1	REAL000000009995	1	51	-1.0	-48.74	383.38	8.25	-40.48
O=C(CCCC1=NNN=N1)N1CCCC1CCC1CCCCC1	REAL000000009995	1	52	0.0	-13.63	386.50	8.25	-5.38
O=C(CCC1=NN=N[N-]1)N1CCCC1CCC1CCCCC1	REAL000000009996	0	48	-1.0	-40.77	361.45	7.49	-33.28
O=C(CCC1=N[N-]N=N1)N1CCCC1CCC1CCCCC1	REAL000000009996	1	48	-1.0	-40.77	361.39	7.48	-33.29
O=C(CCC1=NNN=N1)N1CCCC1CCC1CCCCC1	REAL000000009996	1	49	0.0	-9.38	364.83	7.50	-1.88
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCCC1CCC1CCCCC1	REAL000000009997	0	55	0.0	-14.70	401.37	10.38	-4.32
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCCC1CCC1CCCCC1	REAL000000009998	0	52	0.0	-9.16	392.99	8.52	-0.65
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC=C1C1=CC=C(Cl)C=C1Cl	REAL000000009999	0	42	-1.0	-48.97	383.97	7.70	-41.27
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC=C1C1=CC=C(Cl)C=C1Cl	REAL000000009999	1	42	-1.0	-48.96	383.91	7.69	-41.27
O=C(CCCC1=NNN=N1)NCC1=CC=CC=C1C1=CC=C(Cl)C=C1Cl	REAL000000009999	1	43	0.0	-15.21	387.34	7.71	-7.50
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC=C1C1=CC=C(Cl)C=C1Cl	REAL000000010000	0	39	-1.0	-40.63	362.47	6.92	-33.70
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC=C1C1=CC=C(Cl)C=C1Cl	REAL000000010000	1	39	-1.0	-40.63	362.41	6.91	-33.71
O=C(CCC1=NNN=N1)NCC1=CC=CC=C1C1=CC=C(Cl)C=C1Cl	REAL000000010000	1	40	0.0	-11.02	365.85	6.93	-4.08
CC(C)SC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000010001	0	39	-1.0	-46.61	327.35	5.87	-40.74
CC(C)SC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000010001	1	39	-1.0	-46.61	327.30	5.87	-40.73
CC(C)SC1=CC=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000010001	1	40	0.0	-13.01	331.48	5.90	-7.11
CC(C)SC1=CC=CC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010002	0	43	0.0	-14.91	358.33	8.71	-6.21
CC(C)SC1=CC=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010003	0	40	0.0	-9.52	342.97	5.71	-3.81
CCCCN1CCC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C21	REAL000000010004	0	47	-1.0	-48.25	374.34	5.38	-42.87
CCCCN1CCC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C21	REAL000000010004	1	47	-1.0	-48.24	374.28	5.38	-42.86
CCCCN1CCC2=CC=C(NC(=O)CCCC3=NNN=N3)C=C21	REAL000000010004	1	48	0.0	-14.82	377.45	5.40	-9.42
CCCCN1CCC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C21	REAL000000010005	0	44	-1.0	-42.94	354.12	4.75	-38.19
CCCCN1CCC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C21	REAL000000010005	1	44	-1.0	-42.94	354.07	4.75	-38.19
CCCCN1CCC2=CC=C(NC(=O)CCC3=NNN=N3)C=C21	REAL000000010005	1	45	0.0	-10.44	357.49	4.76	-5.68
CCCCN1CCC2=CC=C(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)C=C21	REAL000000010006	0	48	0.0	-11.09	389.59	5.33	-5.75
C[NH+](C)CC1CN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL000000010007	0	46	0.0	-78.39	359.06	6.33	-72.07
C[NH+](C)CC1CN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL000000010007	1	46	0.0	-78.37	359.00	6.32	-72.05
C[NH+](C)CC1CN(C(=O)CCCC2=NNN=N2)C2=CC=CC=C2O1	REAL000000010007	1	47	1.0	-56.20	363.02	6.37	-49.83
C[NH+](C)CC1CN(C(=O)CCC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL000000010008	0	43	0.0	-62.93	338.10	5.63	-57.30
C[NH+](C)CC1CN(C(=O)CCC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL000000010008	1	43	0.0	-62.93	338.05	5.62	-57.31
C[NH+](C)CC1CN(C(=O)CCC2=NNN=N2)C2=CC=CC=C2O1	REAL000000010008	1	44	1.0	-49.53	341.52	5.59	-43.94
C[NH+](C)CC1CN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C2=CC=CC=C2O1	REAL000000010009	0	50	1.0	-55.75	384.32	8.85	-46.90
C[NH+](C)CC1CN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C2=CC=CC=C2O1	REAL000000010010	0	47	1.0	-46.29	370.52	6.69	-39.60
CC1=CC(C2=NOC(C(C)NC(=O)CCCC3=NN=N[N-]3)=N2)=CC=C1F	REAL000000010011	0	43	-1.0	-46.27	377.06	3.63	-42.65
CC1=CC(C2=NOC(C(C)NC(=O)CCCC3=N[N-]N=N3)=N2)=CC=C1F	REAL000000010011	1	43	-1.0	-46.26	377.00	3.62	-42.64
CC1=CC(C2=NOC(C(C)NC(=O)CCCC3=NNN=N3)=N2)=CC=C1F	REAL000000010011	1	44	0.0	-14.31	380.44	3.64	-10.67
CC1=CC(C2=NOC(C(C)NC(=O)CCC3=NN=N[N-]3)=N2)=CC=C1F	REAL000000010012	0	40	-1.0	-39.36	355.56	2.85	-36.51
CC1=CC(C2=NOC(C(C)NC(=O)CCC3=N[N-]N=N3)=N2)=CC=C1F	REAL000000010012	1	40	-1.0	-39.35	355.51	2.84	-36.51
CC1=CC(C2=NOC(C(C)NC(=O)CCC3=NNN=N3)=N2)=CC=C1F	REAL000000010012	1	41	0.0	-11.03	358.94	2.86	-8.18
CC1=CC(C2=NOC(C(C)NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=N2)=CC=C1F	REAL000000010013	0	44	0.0	-9.72	391.03	3.42	-6.30
CC1=C(C2=CC=C(Br)C=C2)N=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL000000010014	0	35	-1.0	-38.60	334.01	5.63	-32.97
CC1=C(C2=CC=C(Br)C=C2)N=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL000000010014	1	35	-1.0	-38.60	333.95	5.62	-32.98
CC1=C(C2=CC=C(Br)C=C2)N=C(NC(=O)CCC2=NNN=N2)S1	REAL000000010014	1	36	0.0	-10.94	337.39	5.64	-5.30
CCCCNC1=CC=C(S(=O)(=O)N(C)C)C=C1NC(=O)CCC1=NN=N[N-]1	REAL000000010015	0	51	-1.0	-46.12	424.05	2.08	-44.04
CCCCNC1=CC=C(S(=O)(=O)N(C)C)C=C1NC(=O)CCC1=N[N-]N=N1	REAL000000010015	1	51	-1.0	-46.12	423.99	2.07	-44.05
CCCCNC1=CC=C(S(=O)(=O)N(C)C)C=C1NC(=O)CCC1=NNN=N1	REAL000000010015	1	52	0.0	-16.73	426.60	2.12	-14.61
COC1=CC=C(C2=CSC(NC(=O)CCCC3=NN=N[N-]3)=N2)C=C1Cl	REAL000000010016	0	39	-1.0	-48.34	361.56	5.13	-43.21
COC1=CC=C(C2=CSC(NC(=O)CCCC3=N[N-]N=N3)=N2)C=C1Cl	REAL000000010016	1	39	-1.0	-48.33	361.50	5.12	-43.21
COC1=CC=C(C2=CSC(NC(=O)CCCC3=NNN=N3)=N2)C=C1Cl	REAL000000010016	1	40	0.0	-16.98	364.94	5.14	-11.85
COC1=CC=C(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)C=C1Cl	REAL000000010017	0	36	-1.0	-41.55	340.06	4.34	-37.21
COC1=CC=C(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)C=C1Cl	REAL000000010017	1	36	-1.0	-41.54	340.00	4.34	-37.20
COC1=CC=C(C2=CSC(NC(=O)CCC3=NNN=N3)=N2)C=C1Cl	REAL000000010017	1	37	0.0	-13.54	343.44	4.35	-9.19
O=C(CCCC1=NN=N[N-]1)NC1=NC(C2=CC=CC(F)=C2)=CS1	REAL000000010018	0	35	-1.0	-46.22	322.51	5.33	-40.89
O=C(CCCC1=N[N-]N=N1)NC1=NC(C2=CC=CC(F)=C2)=CS1	REAL000000010018	1	35	-1.0	-46.19	322.45	5.32	-40.88
O=C(CCCC1=NNN=N1)NC1=NC(C2=CC=CC(F)=C2)=CS1	REAL000000010018	1	36	0.0	-15.06	325.88	5.34	-9.72
O=C(CCC1=NN=N[N-]1)NC1=NC(C2=CC=CC(F)=C2)=CS1	REAL000000010019	0	32	-1.0	-38.35	301.01	4.54	-33.81
O=C(CCC1=N[N-]N=N1)NC1=NC(C2=CC=CC(F)=C2)=CS1	REAL000000010019	1	32	-1.0	-38.34	300.95	4.54	-33.80
O=C(CCC1=NNN=N1)NC1=NC(C2=CC=CC(F)=C2)=CS1	REAL000000010019	1	33	0.0	-11.25	304.39	4.55	-6.70
O=C(NC1=NC(C2=CC=CC(F)=C2)=CS1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010020	0	36	0.0	-9.59	336.45	5.12	-4.47
CC(=O)NC1=CC=C(C2=CSC(NC(=O)CCCC3=NN=N[N-]3)=N2)C(F)=C1	REAL000000010021	0	42	-1.0	-52.51	375.48	4.16	-48.36
CC(=O)NC1=CC=C(C2=CSC(NC(=O)CCCC3=N[N-]N=N3)=N2)C(F)=C1	REAL000000010021	1	42	-1.0	-52.49	375.42	4.15	-48.34
CC(=O)NC1=CC=C(C2=CSC(NC(=O)CCCC3=NNN=N3)=N2)C(F)=C1	REAL000000010021	1	43	0.0	-20.65	379.15	4.16	-16.49
CC(=O)NC1=CC=C(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)C(F)=C1	REAL000000010022	0	39	-1.0	-44.97	353.98	3.37	-41.60
CC(=O)NC1=CC=C(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)C(F)=C1	REAL000000010022	1	39	-1.0	-44.96	353.92	3.37	-41.60
CC(=O)NC1=CC=C(C2=CSC(NC(=O)CCC3=NNN=N3)=N2)C(F)=C1	REAL000000010022	1	40	0.0	-16.97	357.63	3.38	-13.59
O=C(CCCC1=NN=N[N-]1)NC1=NC(C2=CC=CC(C(F)(F)F)=C2)=CS1	REAL000000010023	0	38	-1.0	-47.51	355.19	6.26	-41.25
O=C(CCCC1=N[N-]N=N1)NC1=NC(C2=CC=CC(C(F)(F)F)=C2)=CS1	REAL000000010023	1	38	-1.0	-47.50	355.14	6.25	-41.25
O=C(CCCC1=NNN=N1)NC1=NC(C2=CC=CC(C(F)(F)F)=C2)=CS1	REAL000000010023	1	39	0.0	-16.02	358.57	6.27	-9.75
O=C(CCC1=NN=N[N-]1)NC1=NC(C2=CC=CC(C(F)(F)F)=C2)=CS1	REAL000000010024	0	35	-1.0	-40.87	333.69	5.48	-35.39
O=C(CCC1=N[N-]N=N1)NC1=NC(C2=CC=CC(C(F)(F)F)=C2)=CS1	REAL000000010024	1	35	-1.0	-40.85	333.64	5.47	-35.38
O=C(CCC1=NNN=N1)NC1=NC(C2=CC=CC(C(F)(F)F)=C2)=CS1	REAL000000010024	1	36	0.0	-12.64	337.07	5.49	-7.15
O=C(CCCC1=NN=N[N-]1)NC1=NC(C2=CC=CC(Cl)=C2)=CS1	REAL000000010025	0	35	-1.0	-45.83	332.83	5.77	-40.06
O=C(CCCC1=N[N-]N=N1)NC1=NC(C2=CC=CC(Cl)=C2)=CS1	REAL000000010025	1	35	-1.0	-45.81	332.77	5.76	-40.05
O=C(CCCC1=NNN=N1)NC1=NC(C2=CC=CC(Cl)=C2)=CS1	REAL000000010025	1	36	0.0	-14.60	336.20	5.78	-8.82
O=C(CCC1=NN=N[N-]1)NC1=NC(C2=CC=CC(Cl)=C2)=CS1	REAL000000010026	0	32	-1.0	-38.02	311.33	4.99	-33.03
O=C(CCC1=N[N-]N=N1)NC1=NC(C2=CC=CC(Cl)=C2)=CS1	REAL000000010026	1	32	-1.0	-38.01	311.27	4.98	-33.03
O=C(CCC1=NNN=N1)NC1=NC(C2=CC=CC(Cl)=C2)=CS1	REAL000000010026	1	33	0.0	-10.80	314.70	5.00	-5.80
O=C(NC1=NC(C2=CC=CC(Cl)=C2)=CS1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010027	0	36	0.0	-9.19	346.77	5.56	-3.63
O=C(CCCC1=NN=N[N-]1)NC1=NC(C2=C(F)C=CC=C2F)=CS1	REAL000000010028	0	35	-1.0	-49.69	323.85	5.50	-44.19
O=C(CCCC1=N[N-]N=N1)NC1=NC(C2=C(F)C=CC=C2F)=CS1	REAL000000010028	1	35	-1.0	-49.68	323.80	5.50	-44.17
O=C(CCCC1=NNN=N1)NC1=NC(C2=C(F)C=CC=C2F)=CS1	REAL000000010028	1	36	0.0	-17.50	327.23	5.51	-11.99
O=C(CCC1=NN=N[N-]1)NC1=NC(C2=C(F)C=CC=C2F)=CS1	REAL000000010029	0	32	-1.0	-42.20	302.35	4.72	-37.48
O=C(CCC1=N[N-]N=N1)NC1=NC(C2=C(F)C=CC=C2F)=CS1	REAL000000010029	1	32	-1.0	-42.19	302.30	4.72	-37.47
O=C(CCC1=NNN=N1)NC1=NC(C2=C(F)C=CC=C2F)=CS1	REAL000000010029	1	33	0.0	-13.70	305.73	4.73	-8.97
O=C(NC1=NC(C2=C(F)C=CC=C2F)=CS1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010030	0	36	0.0	-12.42	337.80	5.29	-7.12
COC1=CC=C(F)C=C1C1=CSC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL000000010031	0	39	-1.0	-48.44	349.69	5.08	-43.36
COC1=CC=C(F)C=C1C1=CSC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL000000010031	1	39	-1.0	-48.42	349.63	5.08	-43.34
COC1=CC=C(F)C=C1C1=CSC(NC(=O)CCCC2=NNN=N2)=N1	REAL000000010031	1	40	0.0	-16.84	353.06	5.09	-11.75
COC1=CC=C(F)C=C1C1=CSC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL000000010032	0	36	-1.0	-40.63	328.19	4.30	-36.33
COC1=CC=C(F)C=C1C1=CSC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL000000010032	1	36	-1.0	-40.62	328.13	4.30	-36.32
COC1=CC=C(F)C=C1C1=CSC(NC(=O)CCC2=NNN=N2)=N1	REAL000000010032	1	37	0.0	-13.00	331.57	4.31	-8.69
COC1=CC=C(F)C=C1C1=CSC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000010033	0	40	0.0	-11.58	363.63	4.87	-6.71
CCCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL000000010034	0	41	-1.0	-48.44	342.79	5.85	-42.59
CCCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL000000010034	1	41	-1.0	-48.42	342.73	5.85	-42.57
CCCC(NC(=O)CCCC1=NNN=N1)C1=CC=C(F)C=C1F	REAL000000010034	1	42	0.0	-15.65	346.17	5.86	-9.79
CCCC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL000000010035	0	38	-1.0	-39.54	321.29	5.07	-34.47
CCCC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL000000010035	1	38	-1.0	-39.54	321.23	5.07	-34.47
CCCC(NC(=O)CCC1=NNN=N1)C1=CC=C(F)C=C1F	REAL000000010035	1	39	0.0	-11.18	324.66	5.08	-6.10
CCCC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=C(F)C=C1F	REAL000000010036	0	45	0.0	-17.04	371.70	8.67	-8.37
CCCC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=C(F)C=C1F	REAL000000010037	0	42	0.0	-9.85	365.95	6.33	-3.52
COC1=CC=C(OC(F)F)C(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL000000010038	0	40	-1.0	-48.93	346.81	2.38	-46.55
COC1=CC=C(OC(F)F)C(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL000000010038	1	40	-1.0	-48.91	346.76	2.37	-46.54
COC1=CC=C(OC(F)F)C(CNC(=O)CCCC2=NNN=N2)=C1	REAL000000010038	1	41	0.0	-15.94	350.19	2.39	-13.55
COC1=CC=C(OC(F)F)C(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL000000010039	0	37	-1.0	-41.98	325.31	1.60	-40.38
COC1=CC=C(OC(F)F)C(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL000000010039	1	37	-1.0	-41.97	325.26	1.59	-40.38
COC1=CC=C(OC(F)F)C(CNC(=O)CCC2=NNN=N2)=C1	REAL000000010039	1	38	0.0	-12.22	328.69	1.61	-10.61
COC1=CC=C(OC(F)F)C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000010040	0	44	0.0	-17.23	375.74	5.20	-12.03
COC1=CC=C(OC(F)F)C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000010041	0	41	0.0	-11.66	360.79	2.17	-9.49
O=C(CCCC1=NN=N[N-]1)NCC1=CC([N+](=O)[O-])=CC=C1Cl	REAL000000010042	0	34	-1.0	-48.37	321.76	4.59	-43.78
O=C(CCCC1=N[N-]N=N1)NCC1=CC([N+](=O)[O-])=CC=C1Cl	REAL000000010042	1	34	-1.0	-48.36	321.70	4.59	-43.77
O=C(CCCC1=NNN=N1)NCC1=CC([N+](=O)[O-])=CC=C1Cl	REAL000000010042	1	35	0.0	-15.71	325.14	4.60	-11.11
O=C(CCC1=NN=N[N-]1)NCC1=CC([N+](=O)[O-])=CC=C1Cl	REAL000000010043	0	31	-1.0	-41.15	300.26	3.81	-37.34
O=C(CCC1=N[N-]N=N1)NCC1=CC([N+](=O)[O-])=CC=C1Cl	REAL000000010043	1	31	-1.0	-41.15	300.20	3.81	-37.34
O=C(CCC1=NNN=N1)NCC1=CC([N+](=O)[O-])=CC=C1Cl	REAL000000010043	1	32	0.0	-12.24	303.64	3.82	-8.42
O=C(NCC1=CC([N+](=O)[O-])=CC=C1Cl)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010044	0	38	0.0	-16.99	350.69	7.42	-9.57
O=C(NCC1=CC([N+](=O)[O-])=CC=C1Cl)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010045	0	35	0.0	-11.26	335.73	4.38	-6.88
CCC(C)OC1=CC(C)=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL000000010046	0	48	-1.0	-48.06	389.51	5.86	-42.20
CCC(C)OC1=CC(C)=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL000000010046	1	48	-1.0	-48.06	389.46	5.85	-42.21
CCC(C)OC1=CC(C)=CC=C1CNC(=O)CCCC1=NNN=N1	REAL000000010046	1	49	0.0	-13.80	392.89	5.87	-7.94
CCC(C)OC1=CC(C)=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL000000010047	0	45	-1.0	-41.07	368.02	5.08	-36.00
CCC(C)OC1=CC(C)=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL000000010047	1	45	-1.0	-41.08	367.96	5.07	-36.01
CCC(C)OC1=CC(C)=CC=C1CNC(=O)CCC1=NNN=N1	REAL000000010047	1	46	0.0	-10.04	371.39	5.09	-4.96
CCC(C)OC1=CC(C)=CC=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010048	0	52	0.0	-15.83	418.24	8.71	-7.12
CCC(C)OC1=CC(C)=CC=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010049	0	49	0.0	-9.79	403.49	5.65	-4.14
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCSC2COCCC21	REAL000000010050	0	42	0.0	-15.30	331.01	5.86	-9.44
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCSC2COCCC21	REAL000000010051	0	39	0.0	-8.71	315.44	3.63	-5.07
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC=C(F)C(F)=C2C1	REAL000000010052	0	36	-1.0	-47.27	307.39	5.88	-41.39
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC=C(F)C(F)=C2C1	REAL000000010052	1	36	-1.0	-47.26	307.33	5.87	-41.39
O=C(CCCC1=NNN=N1)N1CCC2=CC=C(F)C(F)=C2C1	REAL000000010052	1	37	0.0	-13.94	310.80	5.89	-8.05
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC2=CC=C(F)C(F)=C2C1	REAL000000010053	0	40	0.0	-15.46	334.83	8.40	-7.06
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2=CC=C(F)C(F)=C2C1	REAL000000010054	0	37	0.0	-10.82	318.53	6.18	-4.64
CC(C)C[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL000000010055	0	49	-1.0	-44.16	376.76	5.34	-38.82
CC(C)C[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL000000010055	1	49	-1.0	-44.15	376.70	5.34	-38.81
CC(C)C[C@H](NC(=O)CCCC1=NNN=N1)C(=O)OC(C)(C)C	REAL000000010055	1	50	0.0	-11.60	386.50	5.49	-6.10
CC(C)C[C@H](NC(=O)CCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL000000010056	0	46	-1.0	-38.91	361.62	4.70	-34.21
CC(C)C[C@H](NC(=O)CCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL000000010056	1	46	-1.0	-38.91	361.57	4.69	-34.22
CC(C)C[C@H](NC(=O)CCC1=NNN=N1)C(=O)OC(C)(C)C	REAL000000010056	1	47	0.0	-7.90	358.66	4.57	-3.33
CC(C)C[C@H](NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(=O)OC(C)(C)C	REAL000000010057	0	53	0.0	-12.94	412.22	8.32	-4.62
CC(C)C[C@H](NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(=O)OC(C)(C)C	REAL000000010058	0	50	0.0	-8.35	396.92	5.26	-3.08
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NOC(C2=CC=CC=C2)=N1	REAL000000010059	0	40	-1.0	-47.75	350.37	2.74	-45.01
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NOC(C2=CC=CC=C2)=N1	REAL000000010059	1	40	-1.0	-47.74	350.31	2.74	-44.99
CC(NC(=O)CCCC1=NNN=N1)C1=NOC(C2=CC=CC=C2)=N1	REAL000000010059	1	41	0.0	-14.29	353.74	2.75	-11.54
CC(NC(=O)CCC1=NN=N[N-]1)C1=NOC(C2=CC=CC=C2)=N1	REAL000000010060	0	37	-1.0	-41.23	328.87	1.96	-39.27
CC(NC(=O)CCC1=N[N-]N=N1)C1=NOC(C2=CC=CC=C2)=N1	REAL000000010060	1	37	-1.0	-41.23	328.81	1.96	-39.28
CC(NC(=O)CCC1=NNN=N1)C1=NOC(C2=CC=CC=C2)=N1	REAL000000010060	1	38	0.0	-10.89	332.24	1.98	-8.91
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=NOC(C2=CC=CC=C2)=N1	REAL000000010061	0	44	0.0	-15.53	379.29	5.57	-9.97
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=NOC(C2=CC=CC=C2)=N1	REAL000000010062	0	41	0.0	-10.56	364.34	2.54	-8.02
CCCNC1=CC=C(Cl)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000010063	0	40	-1.0	-49.02	344.28	4.55	-44.47
CCCNC1=CC=C(Cl)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000010063	1	40	-1.0	-49.01	344.22	4.54	-44.47
CCCNC1=CC=C(Cl)C=C1NC(=O)CCCC1=NNN=N1	REAL000000010063	1	41	0.0	-15.52	347.66	4.56	-10.95
CCCNC1=CC=C(Cl)C=C1NC(=O)CCC1=NN=N[N-]1	REAL000000010064	0	37	-1.0	-40.25	323.74	3.78	-36.47
CCCNC1=CC=C(Cl)C=C1NC(=O)CCC1=N[N-]N=N1	REAL000000010064	1	37	-1.0	-40.25	323.68	3.78	-36.47
CCCNC1=CC=C(Cl)C=C1NC(=O)CCC1=NNN=N1	REAL000000010064	1	38	0.0	-11.04	326.16	3.78	-7.26
CCCNC1=CC=C(Cl)C=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010065	0	44	0.0	-16.87	374.25	7.45	-9.42
CCCNC1=CC=C(Cl)C=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010066	0	41	0.0	-9.63	359.22	4.36	-5.27
O=C(CCCC1=NN=N[N-]1)NC1=NC(C2=CC=C(O)C=C2)=CS1	REAL000000010067	0	36	-1.0	-47.73	327.10	2.41	-45.32
O=C(CCCC1=N[N-]N=N1)NC1=NC(C2=CC=C(O)C=C2)=CS1	REAL000000010067	1	36	-1.0	-47.72	327.04	2.40	-45.32
O=C(CCCC1=NNN=N1)NC1=NC(C2=CC=C(O)C=C2)=CS1	REAL000000010067	1	37	0.0	-16.42	330.48	2.42	-14.01
O=C(CCC1=NN=N[N-]1)NC1=NC(C2=CC=C(O)C=C2)=CS1	REAL000000010068	0	33	-1.0	-40.38	305.60	1.62	-38.76
O=C(CCC1=N[N-]N=N1)NC1=NC(C2=CC=C(O)C=C2)=CS1	REAL000000010068	1	33	-1.0	-40.38	305.55	1.62	-38.76
O=C(CCC1=NNN=N1)NC1=NC(C2=CC=C(O)C=C2)=CS1	REAL000000010068	1	34	0.0	-12.75	308.98	1.63	-11.12
O=C(NC1=NC(C2=CC=C(O)C=C2)=CS1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010069	0	40	0.0	-16.18	355.60	5.26	-10.92
O=C(NC1=NC(C2=CC=C(O)C=C2)=CS1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010070	0	37	0.0	-11.38	341.04	2.20	-9.18
CCNC1=CC=C(S(=O)(=O)C(F)F)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000010071	0	43	-1.0	-55.77	380.87	1.23	-54.55
CCNC1=CC=C(S(=O)(=O)C(F)F)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000010071	1	43	-1.0	-55.75	380.82	1.22	-54.53
CCNC1=CC=C(S(=O)(=O)C(F)F)C=C1NC(=O)CCCC1=NNN=N1	REAL000000010071	1	44	0.0	-21.84	384.25	1.24	-20.60
CCNC1=CC=C(S(=O)(=O)C(F)F)C=C1NC(=O)CCC1=NN=N[N-]1	REAL000000010072	0	40	-1.0	-46.95	359.37	0.45	-46.51
CCNC1=CC=C(S(=O)(=O)C(F)F)C=C1NC(=O)CCC1=N[N-]N=N1	REAL000000010072	1	40	-1.0	-46.95	359.31	0.44	-46.52
CCNC1=CC=C(S(=O)(=O)C(F)F)C=C1NC(=O)CCC1=NNN=N1	REAL000000010072	1	41	0.0	-17.42	362.73	0.46	-16.96
COCCNC1=CC=C(S(C)(=O)=O)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000010073	0	47	-1.0	-56.98	401.26	-0.10	-57.07
COCCNC1=CC=C(S(C)(=O)=O)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000010073	1	47	-1.0	-56.96	401.20	-0.11	-57.07
COCCNC1=CC=C(S(C)(=O)=O)C=C1NC(=O)CCCC1=NNN=N1	REAL000000010073	1	48	0.0	-23.33	404.64	-0.09	-23.42
COCCNC1=CC=C(S(C)(=O)=O)C=C1NC(=O)CCC1=NN=N[N-]1	REAL000000010074	0	44	-1.0	-49.54	379.78	-0.88	-50.42
COCCNC1=CC=C(S(C)(=O)=O)C=C1NC(=O)CCC1=N[N-]N=N1	REAL000000010074	1	44	-1.0	-49.53	379.73	-0.89	-50.42
COCCNC1=CC=C(S(C)(=O)=O)C=C1NC(=O)CCC1=NNN=N1	REAL000000010074	1	45	0.0	-19.46	383.16	-0.87	-20.32
CNS(=O)(=O)C1=CC=C(NCCOC)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL000000010075	0	49	-1.0	-60.60	416.22	-1.47	-62.07
CNS(=O)(=O)C1=CC=C(NCCOC)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL000000010075	1	49	-1.0	-60.59	416.17	-1.47	-62.06
CNS(=O)(=O)C1=CC=C(NCCOC)C(NC(=O)CCCC2=NNN=N2)=C1	REAL000000010075	1	50	0.0	-25.34	419.60	-1.46	-26.79
CNS(=O)(=O)C1=CC=C(NCCOC)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL000000010076	0	46	-1.0	-47.75	395.69	-2.24	-49.99
CNS(=O)(=O)C1=CC=C(NCCOC)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL000000010076	1	46	-1.0	-47.74	395.63	-2.24	-49.98
CNS(=O)(=O)C1=CC=C(NCCOC)C(NC(=O)CCC2=NNN=N2)=C1	REAL000000010076	1	47	0.0	-18.07	399.06	-2.23	-20.30
COC1=CC(F)=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1F	REAL000000010077	0	37	0.0	-16.04	322.99	5.73	-10.31
COC1=CC(F)=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1F	REAL000000010078	0	34	0.0	-10.00	307.84	2.65	-7.36
O=C(CCCC1=NN=N[N-]1)NC1=NN=C(CC(F)(F)F)S1	REAL000000010079	0	30	-1.0	-57.02	297.00	2.64	-54.38
O=C(CCCC1=N[N-]N=N1)NC1=NN=C(CC(F)(F)F)S1	REAL000000010079	1	30	-1.0	-57.00	296.95	2.63	-54.37
O=C(CCCC1=NNN=N1)NC1=NN=C(CC(F)(F)F)S1	REAL000000010079	1	31	0.0	-23.57	300.38	2.65	-20.92
O=C(CCC1=NN=N[N-]1)NC1=NN=C(CC(F)(F)F)S1	REAL000000010080	0	27	-1.0	-46.66	275.51	1.85	-44.81
O=C(CCC1=N[N-]N=N1)NC1=NN=C(CC(F)(F)F)S1	REAL000000010080	1	27	-1.0	-46.65	275.45	1.85	-44.80
O=C(CCC1=NNN=N1)NC1=NN=C(CC(F)(F)F)S1	REAL000000010080	1	28	0.0	-18.45	278.88	1.86	-16.59
O=C(NC1=NN=C(CC(F)(F)F)S1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010081	0	34	0.0	-23.79	326.01	5.60	-18.19
O=C(NC1=NN=C(CC(F)(F)F)S1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010082	0	31	0.0	-15.52	311.46	2.54	-12.98
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC2=C(Cl)C=CC=C21	REAL000000010083	0	37	0.0	-17.36	316.27	8.40	-8.96
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2=C(Cl)C=CC=C21	REAL000000010084	0	34	0.0	-9.49	304.22	6.26	-3.23
CC(C)C[N@@H+]1CCC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000010085	0	51	1.0	-48.20	389.84	7.89	-40.31
CC(C)C[N@H+]1CCC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000010085	1	51	1.0	-48.25	390.20	7.84	-40.42
CC(C)C[N@@H+]1CCC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000010086	0	48	1.0	-41.71	375.92	4.81	-36.89
CC(C)C[N@H+]1CCC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000010086	1	48	1.0	-41.61	375.17	4.82	-36.79
CC(C)CC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCC1	REAL000000010087	0	48	0.0	-14.39	361.27	8.05	-6.34
CC(C)CC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCC1	REAL000000010088	0	45	0.0	-7.68	346.52	4.98	-2.70
O=C(CCCC1=NN=N[N-]1)NC1CCN(C(=O)CCC2=CC=CC=C2)C1	REAL000000010089	0	49	-1.0	-50.21	403.83	5.83	-44.37
O=C(CCCC1=N[N-]N=N1)NC1CCN(C(=O)CCC2=CC=CC=C2)C1	REAL000000010089	1	49	-1.0	-50.19	403.77	5.83	-44.36
O=C(CCCC1=NNN=N1)NC1CCN(C(=O)CCC2=CC=CC=C2)C1	REAL000000010089	1	50	0.0	-17.82	407.20	5.84	-11.98
O=C(CCC1=NN=N[N-]1)NC1CCN(C(=O)CCC2=CC=CC=C2)C1	REAL000000010090	0	46	-1.0	-43.98	383.49	5.07	-38.91
O=C(CCC1=N[N-]N=N1)NC1CCN(C(=O)CCC2=CC=CC=C2)C1	REAL000000010090	1	46	-1.0	-43.96	383.43	5.06	-38.91
O=C(CCC1=NNN=N1)NC1CCN(C(=O)CCC2=CC=CC=C2)C1	REAL000000010090	1	47	0.0	-14.23	385.71	5.06	-9.17
O=C(CCC1=CC=CC=C1)N1CCC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000010091	0	50	0.0	-13.71	418.95	5.64	-8.08
O=C(CCCC1=NN=N[N-]1)NC1=CC=CN(CC(F)(F)F)C1=O	REAL000000010092	0	35	-1.0	-61.86	317.54	4.52	-57.34
O=C(CCC1=N[N-]N=N1)NC1=CC=CN(CC(F)(F)F)C1=O	REAL000000010093	0	32	-1.0	-54.57	296.38	3.43	-51.14
O=C(CCC1=NNN=N1)NC1=CC=CN(CC(F)(F)F)C1=O	REAL000000010093	1	33	0.0	-21.83	299.84	3.44	-18.39
O=C(NC1=CC=CN(CC(F)(F)F)C1=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL000000010094	0	38	-1.0	-68.73	341.86	7.42	-61.31
O=C(NC1=CC=CN(CC(F)(F)F)C1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL000000010095	0	35	-1.0	-50.16	328.17	4.29	-45.86
CCCCCOC1=CC(C)=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL000000010096	0	51	-1.0	-47.96	415.33	6.80	-41.16
CCCCCOC1=CC(C)=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL000000010096	1	51	-1.0	-47.95	415.27	6.79	-41.16
CCCCCOC1=CC(C)=CC=C1CNC(=O)CCCC1=NNN=N1	REAL000000010096	1	52	0.0	-13.79	418.71	6.81	-6.98
CCCCCOC1=CC(C)=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL000000010097	0	48	-1.0	-40.95	393.84	6.01	-34.94
CCCCCOC1=CC(C)=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL000000010097	1	48	-1.0	-40.95	393.78	6.01	-34.94
CCCCCOC1=CC(C)=CC=C1CNC(=O)CCC1=NNN=N1	REAL000000010097	1	49	0.0	-10.04	397.22	6.02	-4.02
CCCCCOC1=CC(C)=CC=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010098	0	55	0.0	-15.88	443.83	9.66	-6.22
CCCCCOC1=CC(C)=CC=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010099	0	52	0.0	-9.77	429.31	6.59	-3.18
CS(=O)(=O)CC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL000000010100	0	41	-1.0	-56.41	355.77	1.90	-54.52
CS(=O)(=O)CC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL000000010100	1	41	-1.0	-56.40	355.71	1.90	-54.50
CS(=O)(=O)CC1=CC=CC=C1CNC(=O)CCCC1=NNN=N1	REAL000000010100	1	42	0.0	-23.83	360.63	1.90	-21.93
CS(=O)(=O)CC1=CC=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL000000010101	0	38	-1.0	-47.30	335.76	1.10	-46.20
CS(=O)(=O)CC1=CC=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL000000010101	1	38	-1.0	-47.30	335.70	1.10	-46.19
CS(=O)(=O)CC1=CC=CC=C1CNC(=O)CCC1=NNN=N1	REAL000000010101	1	39	0.0	-19.87	339.14	1.11	-18.76
CS(=O)(=O)CC1=CC=CC=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010102	0	45	0.0	-25.12	384.70	4.72	-20.40
CS(=O)(=O)CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010103	0	42	0.0	-17.97	371.16	1.75	-16.22
COC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1F	REAL000000010104	0	38	-1.0	-53.25	335.35	4.66	-48.60
COC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1F	REAL000000010104	1	38	-1.0	-53.24	335.29	4.66	-48.58
COC(=O)C(NC(=O)CCCC1=NNN=N1)C1=CC=CC=C1F	REAL000000010104	1	39	0.0	-19.38	338.73	4.67	-14.71
COC(=O)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1F	REAL000000010105	0	35	-1.0	-44.96	313.51	3.84	-41.12
COC(=O)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1F	REAL000000010105	1	35	-1.0	-44.96	313.45	3.84	-41.12
COC(=O)C(NC(=O)CCC1=NNN=N1)C1=CC=CC=C1F	REAL000000010105	1	36	0.0	-15.09	316.89	3.85	-11.23
COC(=O)C(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC=C1F	REAL000000010106	0	42	0.0	-21.51	364.00	7.49	-14.02
COC(=O)C(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC=C1F	REAL000000010107	0	39	0.0	-13.96	348.91	4.43	-9.54
COCCOCCN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL000000010108	0	49	-1.0	-46.89	399.11	5.80	-41.09
COCCOCCN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL000000010108	1	49	-1.0	-46.88	399.05	5.79	-41.09
COCCOCCN(CC1=CC=CC=C1)C(=O)CCCC1=NNN=N1	REAL000000010108	1	50	0.0	-18.54	401.17	6.44	-12.10
COCCOCCN(CC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL000000010109	0	46	-1.0	-41.11	377.61	5.01	-36.10
COCCOCCN(CC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL000000010109	1	46	-1.0	-41.11	377.55	5.00	-36.11
COCCOCCN(CC1=CC=CC=C1)C(=O)CCC1=NNN=N1	REAL000000010109	1	47	0.0	-13.95	379.67	5.65	-8.30
COCCOCCN(CC1=CC=CC=C1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010110	0	53	0.0	-18.28	426.96	8.41	-9.88
COCCOCCN(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010111	0	50	0.0	-10.93	409.04	7.17	-3.76
CC(C)(C)C1=NN=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL000000010112	0	39	-1.0	-48.55	340.66	2.10	-46.44
CC(C)(C)C1=NN=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL000000010112	1	39	-1.0	-48.53	340.61	2.10	-46.44
CC(C)(C)C1=NN=C(CNC(=O)CCCC2=NNN=N2)S1	REAL000000010112	1	40	0.0	-15.74	344.04	2.11	-13.62
CC(C)(C)C1=NN=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)S1	REAL000000010113	0	43	0.0	-16.70	369.59	4.93	-11.77
CC(C)(C)C1=NN=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)S1	REAL000000010114	0	40	0.0	-11.61	354.64	1.90	-9.71
O=C(CCCC1=NN=N[N-]1)N(CCC1=CC=CC(F)=C1)C1CCCC1	REAL000000010115	0	48	-1.0	-45.96	376.69	8.82	-37.14
O=C(CCCC1=N[N-]N=N1)N(CCC1=CC=CC(F)=C1)C1CCCC1	REAL000000010115	1	48	-1.0	-45.95	376.63	8.82	-37.12
O=C(CCCC1=NNN=N1)N(CCC1=CC=CC(F)=C1)C1CCCC1	REAL000000010115	1	49	0.0	-13.08	384.73	9.00	-4.09
O=C(CCC1=NN=N[N-]1)N(CCC1=CC=CC(F)=C1)C1CCCC1	REAL000000010116	0	45	-1.0	-42.44	360.39	8.19	-34.24
O=C(CCC1=N[N-]N=N1)N(CCC1=CC=CC(F)=C1)C1CCCC1	REAL000000010116	1	45	-1.0	-42.43	360.32	8.18	-34.25
O=C(CCC1=NNN=N1)N(CCC1=CC=CC(F)=C1)C1CCCC1	REAL000000010116	1	46	0.0	-9.04	362.98	8.20	-0.84
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N(CCC1=CC=CC(F)=C1)C1CCCC1	REAL000000010117	0	52	0.0	-14.86	403.30	11.44	-3.42
O=C(C1=CC=C(C2=NNN=N2)C=N1)N(CCC1=CC=CC(F)=C1)C1CCCC1	REAL000000010118	0	49	0.0	-9.46	385.31	9.56	0.09
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC2(CCOC2)C1	REAL000000010119	0	41	0.0	-20.05	320.13	4.86	-15.18
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2(CCOC2)C1	REAL000000010120	0	38	0.0	-11.50	307.19	2.75	-8.75
CS(=O)(=O)NC1CCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL000000010121	0	43	-1.0	-53.30	361.67	-0.81	-54.12
CS(=O)(=O)NC1CCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL000000010121	1	43	-1.0	-53.29	361.62	-0.81	-54.10
CS(=O)(=O)NC1CCCC1CNC(=O)CCCC1=NNN=N1	REAL000000010121	1	44	0.0	-21.45	365.85	-0.85	-22.31
CS(=O)(=O)NC1CCCC1CNC(=O)CCC1=NN=N[N-]1	REAL000000010122	0	40	-1.0	-45.98	340.98	-1.64	-47.62
CS(=O)(=O)NC1CCCC1CNC(=O)CCC1=N[N-]N=N1	REAL000000010122	1	40	-1.0	-45.97	340.92	-1.64	-47.61
CS(=O)(=O)NC1CCCC1CNC(=O)CCC1=NNN=N1	REAL000000010122	1	41	0.0	-19.09	337.95	-1.32	-20.41
CS(=O)(=O)NC1CCCC1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010123	0	47	0.0	-24.47	386.87	2.26	-22.22
CS(=O)(=O)NC1CCCC1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010124	0	44	0.0	-18.69	375.83	-0.97	-19.66
CC1CN(C2=NC=CN=C2C#N)CCN1C(=O)CCCC1=NN=N[N-]1	REAL000000010125	0	43	-1.0	-51.58	356.81	3.04	-48.54
CC1CN(C2=NC=CN=C2C#N)CCN1C(=O)CCCC1=N[N-]N=N1	REAL000000010125	1	43	-1.0	-51.57	356.75	3.03	-48.54
CC1CN(C2=NC=CN=C2C#N)CCN1C(=O)CCCC1=NNN=N1	REAL000000010125	1	44	0.0	-17.82	357.51	3.11	-14.71
CC1CN(C2=NC=CN=C2C#N)CCN1C(=O)CCC1=NN=N[N-]1	REAL000000010126	0	40	-1.0	-43.99	332.63	2.31	-41.68
CC1CN(C2=NC=CN=C2C#N)CCN1C(=O)CCC1=N[N-]N=N1	REAL000000010126	1	40	-1.0	-43.99	332.58	2.31	-41.68
CC1CN(C2=NC=CN=C2C#N)CCN1C(=O)CCC1=NNN=N1	REAL000000010126	1	41	0.0	-14.14	336.01	2.32	-11.82
CC1CN(C2=NC=CN=C2C#N)CCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010127	0	47	0.0	-22.61	372.68	4.43	-18.19
CC1CN(C2=NC=CN=C2C#N)CCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010128	0	44	0.0	-15.27	357.83	2.27	-13.00
O=C(CCCC1=NN=N[N-]1)NCCCC1=CC=C2OCCOC2=C1	REAL000000010129	0	44	-1.0	-50.59	366.64	4.19	-46.40
O=C(CCCC1=N[N-]N=N1)NCCCC1=CC=C2OCCOC2=C1	REAL000000010129	1	44	-1.0	-50.57	366.59	4.19	-46.38
O=C(CCCC1=NNN=N1)NCCCC1=CC=C2OCCOC2=C1	REAL000000010129	1	45	0.0	-17.56	370.03	4.20	-13.36
O=C(NCCCC1=CC=C2OCCOC2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010131	0	48	0.0	-19.24	395.18	7.05	-12.18
O=C(NCCCC1=CC=C2OCCOC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010132	0	45	0.0	-12.92	380.62	3.98	-8.94
CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(OC(C)CC(C)C)=C1	REAL000000010133	0	54	-1.0	-48.14	428.22	7.16	-40.98
CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(OC(C)CC(C)C)=C1	REAL000000010133	1	54	-1.0	-48.14	428.16	7.16	-40.98
CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(OC(C)CC(C)C)=C1	REAL000000010133	1	55	0.0	-13.70	431.60	7.17	-6.53
CC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C(OC(C)CC(C)C)=C1	REAL000000010134	0	51	-1.0	-41.14	406.71	6.37	-34.77
CC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C(OC(C)CC(C)C)=C1	REAL000000010134	1	51	-1.0	-41.14	406.65	6.38	-34.76
CC1=CC=C(CNC(=O)CCC2=NNN=N2)C(OC(C)CC(C)C)=C1	REAL000000010134	1	52	0.0	-9.91	410.10	6.39	-3.52
CC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(OC(C)CC(C)C)=C1	REAL000000010135	0	55	0.0	-9.70	442.19	6.95	-2.75
O=C(CCC1=NN=N[N-]1)N(CC1=CC=CC(C(F)(F)F)=C1)CC1=CC=CC=N1	REAL000000010136	0	44	-1.0	-45.55	386.35	8.26	-37.29
O=C(CCC1=N[N-]N=N1)N(CC1=CC=CC(C(F)(F)F)=C1)CC1=CC=CC=N1	REAL000000010136	1	44	-1.0	-45.55	386.29	8.26	-37.29
O=C(CCC1=NNN=N1)N(CC1=CC=CC(C(F)(F)F)=C1)CC1=CC=CC=N1	REAL000000010136	1	45	0.0	-11.23	389.81	8.09	-3.13
O=C(CC1CCCN1C(=O)CCCC1=NN=N[N-]1)C1=CC=CO1	REAL000000010137	0	41	-1.0	-51.75	342.45	5.28	-46.47
O=C(CC1CCCN1C(=O)CCCC1=N[N-]N=N1)C1=CC=CO1	REAL000000010137	1	41	-1.0	-51.74	342.40	5.27	-46.47
O=C(CC1CCCN1C(=O)CCCC1=NNN=N1)C1=CC=CO1	REAL000000010137	1	42	0.0	-18.09	345.83	5.29	-12.80
O=C(CC1CCCN1C(=O)CCC1=NN=N[N-]1)C1=CC=CO1	REAL000000010138	0	38	-1.0	-43.73	320.96	4.49	-39.24
O=C(CC1CCCN1C(=O)CCC1=N[N-]N=N1)C1=CC=CO1	REAL000000010138	1	38	-1.0	-43.73	320.90	4.49	-39.24
O=C(CC1CCCN1C(=O)CCC1=NNN=N1)C1=CC=CO1	REAL000000010138	1	39	0.0	-13.71	324.34	4.50	-9.22
O=C(CC1CCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CO1	REAL000000010139	0	45	0.0	-22.12	367.66	7.62	-14.49
O=C(CC1CCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CO1	REAL000000010140	0	42	0.0	-13.16	352.80	5.53	-7.63
CC(C)(C)C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL000000010141	0	44	-1.0	-48.25	348.86	6.09	-42.16
CC(C)(C)C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL000000010141	1	44	-1.0	-48.23	348.80	6.09	-42.14
CC(C)(C)C(NC(=O)CCCC1=NNN=N1)C1=CC=C(F)C=C1F	REAL000000010141	1	45	0.0	-15.57	352.23	6.10	-9.47
CC(C)(C)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL000000010142	0	41	-1.0	-39.61	334.40	5.87	-33.74
CC(C)(C)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL000000010142	1	41	-1.0	-39.60	334.35	5.87	-33.73
CC(C)(C)C(NC(=O)CCC1=NNN=N1)C1=CC=C(F)C=C1F	REAL000000010142	1	42	0.0	-11.89	337.81	5.87	-6.01
CC(C)(C)C(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=C(F)C=C1F	REAL000000010143	0	48	0.0	-17.86	382.69	9.29	-8.57
CC(C)(C)C(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=C(F)C=C1F	REAL000000010144	0	45	0.0	-9.08	362.78	5.89	-3.19
CCC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCCC1	REAL000000010145	0	45	0.0	-14.70	345.45	7.15	-7.54
CCC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCCC1	REAL000000010146	0	42	0.0	-7.73	329.45	4.27	-3.46
COC(=O)COC1=C2C=CC=CC2=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL000000010147	0	45	-1.0	-52.54	381.37	6.74	-45.80
COC(=O)COC1=C2C=CC=CC2=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL000000010147	1	45	-1.0	-52.52	381.32	6.73	-45.79
COC(=O)COC1=C2C=CC=CC2=C(NC(=O)CCCC2=NNN=N2)C=C1	REAL000000010147	1	46	0.0	-20.67	384.75	6.75	-13.92
COC(=O)COC1=C2C=CC=CC2=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL000000010148	0	42	-1.0	-44.59	359.88	5.96	-38.63
COC(=O)COC1=C2C=CC=CC2=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL000000010148	1	42	-1.0	-44.58	359.82	5.95	-38.63
COC(=O)COC1=C2C=CC=CC2=C(NC(=O)CCC2=NNN=N2)C=C1	REAL000000010148	1	43	0.0	-16.76	363.25	5.97	-10.80
CN(CC1=CC(Br)=CN1C)C(=O)CCCC1=NN=N[N-]1	REAL000000010149	0	36	-1.0	-53.26	318.85	5.47	-47.78
CN(CC1=CC(Br)=CN1C)C(=O)CCCC1=N[N-]N=N1	REAL000000010149	1	36	-1.0	-53.25	318.79	5.46	-47.78
CN(CC1=CC(Br)=CN1C)C(=O)CCCC1=NNN=N1	REAL000000010149	1	37	0.0	-12.03	319.61	5.62	-6.42
CN(CC1=CC(Br)=CN1C)C(=O)CCC1=NN=N[N-]1	REAL000000010150	0	33	-1.0	-44.45	297.35	4.68	-39.77
CN(CC1=CC(Br)=CN1C)C(=O)CCC1=N[N-]N=N1	REAL000000010150	1	33	-1.0	-44.46	297.29	4.68	-39.77
CN(CC1=CC(Br)=CN1C)C(=O)CCC1=NNN=N1	REAL000000010150	1	34	0.0	-8.80	298.43	4.84	-3.96
CN(CC1=CC(Br)=CN1C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010151	0	40	0.0	-10.31	343.74	8.12	-2.19
CN(CC1=CC(Br)=CN1C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010152	0	37	0.0	-8.80	326.94	6.00	-2.81
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000010153	0	50	-1.0	-48.01	385.91	6.15	-41.85
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000010153	1	50	-1.0	-47.99	385.85	6.16	-41.84
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000010153	1	51	0.0	-14.50	389.29	6.17	-8.33
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL000000010154	0	47	-1.0	-39.37	364.41	5.37	-34.00
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL000000010154	1	47	-1.0	-39.36	364.35	5.37	-34.00
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)CCC1=NNN=N1	REAL000000010154	1	48	0.0	-10.18	367.79	5.38	-4.80
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010155	0	54	0.0	-15.88	415.48	8.93	-6.95
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010156	0	51	0.0	-8.68	400.82	5.97	-2.71
CC1=COC(C2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2)=N1	REAL000000010157	0	38	-1.0	-54.96	331.38	2.47	-52.49
CC1=COC(C2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2)=N1	REAL000000010157	1	38	-1.0	-54.96	331.33	2.46	-52.49
CC1=COC(C2=CC=CC(NC(=O)CCCC3=NNN=N3)=C2)=N1	REAL000000010157	1	39	0.0	-21.20	334.76	2.48	-18.72
CC1=COC(C2=CC=CC(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=C2)=N1	REAL000000010158	0	42	0.0	-22.66	360.21	5.36	-17.30
CC1=COC(C2=CC=CC(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=C2)=N1	REAL000000010159	0	39	0.0	-14.95	345.36	2.26	-12.69
O=C(NC1CCOC2(CCCC2)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010160	0	47	0.0	-15.09	359.90	6.07	-9.02
O=C(NC1CCOC2(CCCC2)C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010161	0	44	0.0	-8.47	345.36	3.00	-5.47
O=C(CCCC1=NN=N[N-]1)NC1CCOC2(CCCCC2)C1	REAL000000010162	0	46	-1.0	-46.50	346.80	3.95	-42.54
O=C(CCCC1=N[N-]N=N1)NC1CCOC2(CCCCC2)C1	REAL000000010162	1	46	-1.0	-46.48	346.74	3.96	-42.52
O=C(CCCC1=NNN=N1)NC1CCOC2(CCCCC2)C1	REAL000000010162	1	47	0.0	-13.26	350.16	3.96	-9.30
O=C(NC1CCOC2(CCCCC2)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010163	0	50	0.0	-14.91	375.32	6.82	-8.09
O=C(NC1CCOC2(CCCCC2)C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010164	0	47	0.0	-8.30	360.76	3.76	-4.54
CC1=NN(C2=CC=CC=C2CNC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL000000010165	0	45	-1.0	-51.61	375.61	6.62	-44.99
CC1=NN(C2=CC=CC=C2CNC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL000000010165	1	45	-1.0	-51.61	375.55	6.61	-45.00
CC1=NN(C2=CC=CC=C2CNC(=O)CCCC2=NNN=N2)C(C)=C1	REAL000000010165	1	46	0.0	-16.59	378.98	6.63	-9.96
CC1=NN(C2=CC=CC=C2CNC(=O)CCC2=NN=N[N-]2)C(C)=C1	REAL000000010166	0	42	-1.0	-45.63	354.10	5.83	-39.80
CC1=NN(C2=CC=CC=C2CNC(=O)CCC2=N[N-]N=N2)C(C)=C1	REAL000000010166	1	42	-1.0	-45.63	354.05	5.83	-39.80
CC1=NN(C2=CC=CC=C2CNC(=O)CCC2=NNN=N2)C(C)=C1	REAL000000010166	1	43	0.0	-13.00	357.48	5.84	-7.16
CC1=NN(C2=CC=CC=C2CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(C)=C1	REAL000000010167	0	49	0.0	-19.03	404.57	9.45	-9.58
CC1=NN(C2=CC=CC=C2CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(C)=C1	REAL000000010168	0	46	0.0	-14.39	390.27	5.71	-8.68
O=C(CCCC1=NN=N[N-]1)N1CCN(CC2=CC=CC(Cl)=C2)C(=O)C1	REAL000000010169	0	43	-1.0	-47.61	370.15	6.15	-41.46
O=C(CCCC1=N[N-]N=N1)N1CCN(CC2=CC=CC(Cl)=C2)C(=O)C1	REAL000000010169	1	43	-1.0	-47.59	370.09	6.15	-41.44
O=C(CCCC1=NNN=N1)N1CCN(CC2=CC=CC(Cl)=C2)C(=O)C1	REAL000000010169	1	44	0.0	-15.42	373.51	6.16	-9.25
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCN(CC2=CC=CC(Cl)=C2)C(=O)C1	REAL000000010171	0	44	0.0	-14.61	380.73	6.46	-8.15
O=C(CCCC1=NN=N[N-]1)NC(C1=CC=CC(F)=C1)C1=CC=CC(Cl)=C1	REAL000000010172	0	42	-1.0	-51.49	377.27	8.11	-43.37
O=C(CCCC1=N[N-]N=N1)NC(C1=CC=CC(F)=C1)C1=CC=CC(Cl)=C1	REAL000000010172	1	42	-1.0	-51.47	377.21	8.11	-43.36
O=C(CCCC1=NNN=N1)NC(C1=CC=CC(F)=C1)C1=CC=CC(Cl)=C1	REAL000000010172	1	43	0.0	-18.98	380.65	8.12	-10.86
O=C(CCC1=NN=N[N-]1)NC(C1=CC=CC(F)=C1)C1=CC=CC(Cl)=C1	REAL000000010173	0	39	-1.0	-41.53	355.73	7.33	-34.20
O=C(CCC1=N[N-]N=N1)NC(C1=CC=CC(F)=C1)C1=CC=CC(Cl)=C1	REAL000000010173	1	39	-1.0	-41.52	355.67	7.33	-34.19
O=C(CCC1=NNN=N1)NC(C1=CC=CC(F)=C1)C1=CC=CC(Cl)=C1	REAL000000010173	1	40	0.0	-14.08	359.14	7.34	-6.74
CN1C2=CC=CC(F)=C2N=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000010174	0	35	-1.0	-64.30	308.49	6.60	-57.70
CN1C2=CC=CC(F)=C2N=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000010174	1	35	-1.0	-64.29	308.43	6.60	-57.68
CN1C2=CC=CC(F)=C2N=C1NC(=O)CCCC1=NNN=N1	REAL000000010174	1	36	0.0	-29.27	311.86	6.61	-22.65
CN1C2=CC=CC(F)=C2N=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010175	0	39	0.0	-30.80	337.00	9.46	-21.33
CN1C2=CC=CC(F)=C2N=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010176	0	36	0.0	-20.96	322.44	6.39	-14.57
CC1=CC(Cl)=NC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010177	0	35	0.0	-18.54	312.86	5.74	-12.80
CC1=CC(Cl)=NC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010178	0	32	0.0	-11.10	296.90	2.62	-8.48
O=C(CCCC1=NN=N[N-]1)NCC1=CC(Cl)=CC(Cl)=C1OC(F)F	REAL000000010179	0	36	-1.0	-46.81	348.23	4.08	-42.74
O=C(CCCC1=N[N-]N=N1)NCC1=CC(Cl)=CC(Cl)=C1OC(F)F	REAL000000010179	1	36	-1.0	-46.80	348.17	4.07	-42.73
O=C(CCCC1=NNN=N1)NCC1=CC(Cl)=CC(Cl)=C1OC(F)F	REAL000000010179	1	37	0.0	-14.37	351.61	4.09	-10.28
O=C(CCC1=NN=N[N-]1)NCC1=CC(Cl)=CC(Cl)=C1OC(F)F	REAL000000010180	0	33	-1.0	-39.88	326.73	3.29	-36.60
O=C(CCC1=N[N-]N=N1)NCC1=CC(Cl)=CC(Cl)=C1OC(F)F	REAL000000010180	1	33	-1.0	-39.87	326.67	3.29	-36.58
O=C(CCC1=NNN=N1)NCC1=CC(Cl)=CC(Cl)=C1OC(F)F	REAL000000010180	1	34	0.0	-10.83	330.10	3.29	-7.54
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1	REAL000000010181	0	46	-1.0	-52.15	397.60	5.55	-46.60
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1	REAL000000010181	1	46	-1.0	-52.13	397.55	5.55	-46.59
O=C(CCCC1=NNN=N1)NCC1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1	REAL000000010181	1	47	0.0	-19.79	400.74	5.57	-14.22
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1	REAL000000010182	0	43	-1.0	-45.19	375.86	4.78	-40.41
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1	REAL000000010182	1	43	-1.0	-45.18	375.81	4.77	-40.41
O=C(CCC1=NNN=N1)NCC1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1	REAL000000010182	1	44	0.0	-15.81	379.24	4.79	-11.02
CC1=CC=C(C2=CC=CC(CNC(=O)CCCC3=NN=N[N-]3)=C2)C=C1	REAL000000010183	0	45	-1.0	-47.58	374.76	7.57	-40.01
CC1=CC=C(C2=CC=CC(CNC(=O)CCCC3=N[N-]N=N3)=C2)C=C1	REAL000000010183	1	45	-1.0	-47.56	374.70	7.56	-40.00
CC1=CC=C(C2=CC=CC(CNC(=O)CCCC3=NNN=N3)=C2)C=C1	REAL000000010183	1	46	0.0	-14.23	378.14	7.58	-6.65
CC1=CC=C(C2=CC=CC(CNC(=O)CCC3=NN=N[N-]3)=C2)C=C1	REAL000000010184	0	42	-1.0	-40.63	353.26	6.78	-33.86
CC1=CC=C(C2=CC=CC(CNC(=O)CCC3=N[N-]N=N3)=C2)C=C1	REAL000000010184	1	42	-1.0	-40.63	353.20	6.78	-33.85
CC1=CC=C(C2=CC=CC(CNC(=O)CCC3=NNN=N3)=C2)C=C1	REAL000000010184	1	43	0.0	-10.53	356.64	6.79	-3.74
CC1=CC=C(C2=CC=CC(CNC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=C2)C=C1	REAL000000010185	0	49	0.0	-15.61	403.29	10.42	-5.19
CC1=CC=C(C2=CC=CC(CNC(=O)C3=CC=C(C4=NNN=N4)C=N3)=C2)C=C1	REAL000000010186	0	46	0.0	-9.90	388.74	7.36	-2.54
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL000000010187	0	43	-1.0	-48.24	340.66	4.47	-43.77
CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL000000010187	1	43	-1.0	-48.23	340.60	4.46	-43.76
CC1(C)CC(NC(=O)CCCC2=NNN=N2)C2=CC=CC=C2O1	REAL000000010187	1	44	0.0	-14.60	344.09	4.48	-10.12
CC1(C)CC(NC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL000000010188	0	40	-1.0	-40.92	319.21	3.69	-37.23
CC1(C)CC(NC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL000000010188	1	40	-1.0	-40.92	319.15	3.68	-37.24
CC1(C)CC(NC(=O)CCC2=NNN=N2)C2=CC=CC=C2O1	REAL000000010188	1	41	0.0	-10.89	322.59	3.70	-7.19
CC1(C)CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C2=CC=CC=C2O1	REAL000000010189	0	47	0.0	-16.28	369.19	7.33	-8.95
CC1(C)CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C2=CC=CC=C2O1	REAL000000010190	0	44	0.0	-10.12	354.64	4.27	-5.85
O=C(NC1C2C1C1CCC2C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010191	0	41	0.0	-15.77	306.09	8.64	-7.13
CN(C(=O)CNC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL000000010192	0	45	-1.0	-46.72	354.11	3.45	-43.27
CN(C(=O)CNC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL000000010192	1	45	-1.0	-46.71	354.05	3.45	-43.26
CN(C(=O)CNC(=O)CCCC1=NNN=N1)C1CCCCC1	REAL000000010192	1	46	0.0	-13.83	357.49	3.46	-10.37
CN(C(=O)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CCCCC1	REAL000000010193	0	49	0.0	-15.05	382.63	6.31	-8.74
CN(C(=O)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCCCC1	REAL000000010194	0	46	0.0	-11.58	368.08	3.24	-8.33
CC(C)(C)OC(=O)N(CCNC(=O)CCCC1=NN=N[N-]1)C1CCCCCC1	REAL000000010195	0	61	-1.0	-52.19	455.31	6.82	-45.37
CC(C)(C)OC(=O)N(CCNC(=O)CCCC1=N[N-]N=N1)C1CCCCCC1	REAL000000010195	1	61	-1.0	-52.18	455.25	6.81	-45.37
CC(C)(C)OC(=O)N(CCNC(=O)CCCC1=NNN=N1)C1CCCCCC1	REAL000000010195	1	62	0.0	-18.20	458.69	6.83	-11.37
CC(C)(C)OC(=O)N(CCNC(=O)CCC1=NN=N[N-]1)C1CCCCCC1	REAL000000010196	0	58	-1.0	-43.93	433.81	6.03	-37.90
CC(C)(C)OC(=O)N(CCNC(=O)CCC1=N[N-]N=N1)C1CCCCCC1	REAL000000010196	1	58	-1.0	-43.93	433.76	6.03	-37.90
CC(C)(C)OC(=O)N(CCNC(=O)CCC1=NNN=N1)C1CCCCCC1	REAL000000010196	1	59	0.0	-14.08	438.07	6.10	-7.98
O=C(NC1CCC2=CNN=C2C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010197	0	40	0.0	-21.20	328.12	4.56	-16.64
O=C(NC1CCC2=CNN=C2C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010198	0	37	0.0	-13.63	313.59	1.50	-12.14
O=C(NCC1CCCS1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010199	0	37	0.0	-14.69	313.61	5.85	-8.85
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CC(Cl)=C1	REAL000000010200	0	44	-1.0	-46.59	365.92	6.61	-39.98
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CC(Cl)=C1	REAL000000010200	1	44	-1.0	-46.58	365.86	6.60	-39.98
CC(C)(CNC(=O)CCCC1=NNN=N1)CC1=CC=CC(Cl)=C1	REAL000000010200	1	45	0.0	-13.71	369.21	6.62	-7.10
CC(C)(CNC(=O)CCC1=NN=N[N-]1)CC1=CC=CC(Cl)=C1	REAL000000010201	0	41	-1.0	-39.37	344.42	5.82	-33.56
CC(C)(CNC(=O)CCC1=N[N-]N=N1)CC1=CC=CC(Cl)=C1	REAL000000010201	1	41	-1.0	-39.37	344.37	5.82	-33.55
CC(C)(CNC(=O)CCC1=NNN=N1)CC1=CC=CC(Cl)=C1	REAL000000010201	1	42	0.0	-10.04	347.80	5.83	-4.21
CC(C)(CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)CC1=CC=CC(Cl)=C1	REAL000000010202	0	48	0.0	-15.37	394.45	9.46	-5.91
CC(C)(CNC(=O)C1=CC=C(C2=NNN=N2)C=N1)CC1=CC=CC(Cl)=C1	REAL000000010203	0	45	0.0	-9.18	379.81	6.40	-2.78
CC1=CC=CC(C)=C1OCC(NC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL000000010204	0	54	-1.0	-45.60	403.99	7.49	-38.11
CC1=CC=CC(C)=C1OCC(NC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL000000010204	1	54	-1.0	-45.59	403.93	7.49	-38.10
CC1=CC=CC(C)=C1OCC(NC(=O)CCCC1=NNN=N1)C(C)(C)C	REAL000000010204	1	55	0.0	-11.97	407.37	7.50	-4.46
CC1=CC=CC(C)=C1OCC(NC(=O)CCC1=NN=N[N-]1)C(C)(C)C	REAL000000010205	0	51	-1.0	-39.34	382.49	6.71	-32.63
CC1=CC=CC(C)=C1OCC(NC(=O)CCC1=N[N-]N=N1)C(C)(C)C	REAL000000010205	1	51	-1.0	-39.34	382.43	6.70	-32.64
CC1=CC=CC(C)=C1OCC(NC(=O)CCC1=NNN=N1)C(C)(C)C	REAL000000010205	1	52	0.0	-10.06	399.85	6.62	-3.44
CC1=CC=CC(C)=C1OCC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(C)(C)C	REAL000000010206	0	55	0.0	-8.16	417.95	7.29	-0.86
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCN2C(=NN=C2C2CCCC2)C1	REAL000000010209	0	49	0.0	-19.69	382.72	8.83	-10.86
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCN2C(=NN=C2C2CCCC2)C1	REAL000000010210	0	46	0.0	-14.90	367.51	6.68	-8.22
CCCCC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CCC1	REAL000000010211	0	48	0.0	-14.02	373.79	8.57	-5.45
CCCCC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCC1	REAL000000010212	0	45	0.0	-7.46	358.84	5.55	-1.91
CC1=CC(OCC(=O)N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=CC(C)=C1	REAL000000010213	0	53	-1.0	-57.44	424.31	7.58	-49.86
CC1=CC(OCC(=O)N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=CC(C)=C1	REAL000000010213	1	53	-1.0	-57.42	424.26	7.57	-49.85
CC1=CC(OCC(=O)N2CCN(C(=O)CCCC3=NNN=N3)CC2)=CC(C)=C1	REAL000000010213	1	54	0.0	-26.58	427.69	7.59	-18.99
CC1=CC(OCC(=O)N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=CC(C)=C1	REAL000000010214	0	50	-1.0	-46.53	402.83	6.78	-39.75
CC1=CC(OCC(=O)N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=CC(C)=C1	REAL000000010214	1	50	-1.0	-46.54	402.77	6.79	-39.76
CC1=CC(OCC(=O)N2CCN(C(=O)CCC3=NNN=N3)CC2)=CC(C)=C1	REAL000000010214	1	51	0.0	-20.92	406.20	6.79	-14.12
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL000000010217	0	40	0.0	-14.82	353.22	9.13	-5.69
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL000000010218	0	37	0.0	-8.87	337.30	7.00	-1.87
O=C(CCCC1=NN=N[N-]1)NNC(=O)C(=O)NC1=CC=CC=N1	REAL000000010219	0	36	-1.0	-52.68	325.39	0.18	-52.50
O=C(CCCC1=N[N-]N=N1)NNC(=O)C(=O)NC1=CC=CC=N1	REAL000000010219	1	36	-1.0	-52.66	325.33	0.17	-52.49
O=C(CCCC1=NNN=N1)NNC(=O)C(=O)NC1=CC=CC=N1	REAL000000010219	1	37	0.0	-20.19	328.77	0.19	-20.00
O=C(CCC1=NN=N[N-]1)NNC(=O)C(=O)NC1=CC=CC=N1	REAL000000010220	0	33	-1.0	-44.42	303.89	-0.60	-45.02
O=C(CCC1=N[N-]N=N1)NNC(=O)C(=O)NC1=CC=CC=N1	REAL000000010220	1	33	-1.0	-44.42	303.84	-0.61	-45.02
O=C(CCC1=NNN=N1)NNC(=O)C(=O)NC1=CC=CC=N1	REAL000000010220	1	34	0.0	-16.08	307.27	-0.59	-16.67
O=C([N-]NC(=O)C(=O)NC1=CC=CC=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010221	0	36	-1.0	-52.43	337.86	-0.88	-53.31
COC(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC(S(C)(=O)=O)=C1	REAL000000010222	0	41	-1.0	-59.06	368.52	1.56	-57.50
COC(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC(S(C)(=O)=O)=C1	REAL000000010222	1	41	-1.0	-59.06	368.46	1.57	-57.49
COC(=O)C1=CC(NC(=O)CCCC2=NNN=N2)=CC(S(C)(=O)=O)=C1	REAL000000010222	1	42	0.0	-26.66	371.90	1.57	-25.08
COC(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC(S(C)(=O)=O)=C1	REAL000000010223	0	38	-1.0	-50.07	347.02	0.79	-49.28
COC(=O)C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC(S(C)(=O)=O)=C1	REAL000000010223	1	38	-1.0	-50.06	346.96	0.78	-49.29
COC(=O)C1=CC(NC(=O)CCC2=NNN=N2)=CC(S(C)(=O)=O)=C1	REAL000000010223	1	39	0.0	-22.37	350.40	0.80	-21.58
CN(CCC(=O)OC(C)(C)C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010224	0	47	0.0	-17.89	375.58	7.78	-10.11
CN(CCC(=O)OC(C)(C)C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010225	0	44	0.0	-11.31	358.77	5.80	-5.51
COCCC1=NOC(CN(C)C(=O)CCCC2=NN=N[N-]2)=N1	REAL000000010226	0	40	-1.0	-50.42	343.70	0.89	-49.53
COCCC1=NOC(CN(C)C(=O)CCCC2=N[N-]N=N2)=N1	REAL000000010226	1	40	-1.0	-50.40	343.64	0.89	-49.51
COCCC1=NOC(CN(C)C(=O)CCCC2=NNN=N2)=N1	REAL000000010226	1	41	0.0	-17.48	347.07	0.91	-16.57
COCCC1=NOC(CN(C)C(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000010227	0	44	0.0	-18.80	370.45	3.42	-15.39
COCCC1=NOC(CN(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000010228	0	41	0.0	-12.51	354.73	1.29	-11.21
O=C(CCCC1=NN=N[N-]1)NC(C1=CC=CC(F)=C1)C1CCCC1	REAL000000010229	0	45	-1.0	-47.96	358.44	6.75	-41.20
O=C(CCCC1=N[N-]N=N1)NC(C1=CC=CC(F)=C1)C1CCCC1	REAL000000010229	1	45	-1.0	-47.94	358.38	6.74	-41.19
O=C(CCCC1=NNN=N1)NC(C1=CC=CC(F)=C1)C1CCCC1	REAL000000010229	1	46	0.0	-15.91	364.55	7.36	-8.55
O=C(CCC1=NN=N[N-]1)NC(C1=CC=CC(F)=C1)C1CCCC1	REAL000000010230	0	42	-1.0	-39.66	334.81	5.93	-33.73
O=C(CCC1=N[N-]N=N1)NC(C1=CC=CC(F)=C1)C1CCCC1	REAL000000010230	1	42	-1.0	-39.66	334.75	5.92	-33.74
O=C(CCC1=NNN=N1)NC(C1=CC=CC(F)=C1)C1CCCC1	REAL000000010230	1	43	0.0	-10.90	338.18	5.94	-4.96
O=C(NC(C1=CC=CC(F)=C1)C1CCCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010231	0	49	0.0	-16.93	385.59	9.50	-7.43
O=C(NC(C1=CC=CC(F)=C1)C1CCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010232	0	46	0.0	-9.94	381.61	7.10	-2.84
CC1=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C(C(N)=O)S1	REAL000000010233	0	37	0.0	-25.25	326.62	2.89	-22.36
CC1=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C(C(N)=O)S1	REAL000000010234	0	34	0.0	-16.80	311.86	-0.20	-17.00
CCOCC(C(=O)OC)N(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010235	0	45	0.0	-16.81	366.77	6.02	-10.80
CCOCC(C(=O)OC)N(C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010236	0	42	0.0	-10.85	350.24	4.04	-6.81
CC(C)[NH+]1CCN(C2CCN(C(=O)CCCC3=NN=N[N-]3)C2)CC1	REAL000000010237	0	53	0.0	-69.09	393.37	4.64	-64.45
CC(C)[NH+]1CCN(C2CCN(C(=O)CCCC3=N[N-]N=N3)C2)CC1	REAL000000010237	1	53	0.0	-69.08	393.32	4.64	-64.44
CC(C)[NH+]1CCN(C2CCN(C(=O)CCC3=NN=N[N-]3)C2)CC1	REAL000000010238	0	50	0.0	-61.74	371.88	3.86	-57.88
CC(C)[NH+]1CCN(C2CCN(C(=O)CCC3=N[N-]N=N3)C2)CC1	REAL000000010238	1	50	0.0	-61.74	371.82	3.86	-57.88
CC(C)[NH+]1CCN(C2CCN(C(=O)C3=CC=CC(NC4=NNN=N4)=C3)C2)CC1	REAL000000010239	0	57	1.0	-47.93	412.31	6.70	-41.23
CC(C)[NH+]1CCN(C2CCN(C(=O)C3=CC=C(C4=NNN=N4)C=N3)C2)CC1	REAL000000010240	0	54	1.0	-40.49	399.70	4.58	-35.91
CC(CC(=O)C1=CC=CO1)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010241	0	41	0.0	-22.25	351.38	6.24	-16.01
CC(CC(=O)C1=CC=CO1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010242	0	38	0.0	-15.15	336.83	3.16	-11.99
CC1=NN=C(C(C)NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)O1	REAL000000010243	0	37	0.0	-15.51	320.35	0.10	-15.41
CC1=NN=C(C(C)NC(=O)C2=CC=C(C3=NNN=N3)C=N2)O1	REAL000000010244	0	34	0.0	-11.49	305.40	-2.93	-14.42
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2C=CC=C(Br)C2=N1	REAL000000010245	0	34	-1.0	-59.39	316.06	5.92	-53.46
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2C=CC=C(Br)C2=N1	REAL000000010245	1	34	-1.0	-59.38	316.00	5.93	-53.45
O=C(CCCC1=NNN=N1)NC1=CC=C2C=CC=C(Br)C2=N1	REAL000000010245	1	35	0.0	-23.10	319.44	5.93	-17.17
O=C(CCC1=NN=N[N-]1)NC1=CC=C2C=CC=C(Br)C2=N1	REAL000000010246	0	31	-1.0	-49.82	294.56	5.14	-44.67
O=C(CCC1=N[N-]N=N1)NC1=CC=C2C=CC=C(Br)C2=N1	REAL000000010246	1	31	-1.0	-49.82	294.50	5.14	-44.68
O=C(CCC1=NNN=N1)NC1=CC=C2C=CC=C(Br)C2=N1	REAL000000010246	1	32	0.0	-18.31	297.94	5.15	-13.15
O=C(NC1=CC=C2C=CC=C(Br)C2=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010247	0	35	0.0	-16.86	330.02	5.72	-11.15
CCC1CCCC1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010248	0	42	0.0	-14.98	332.50	6.81	-8.17
O=C(NC1=CC=C2COCC2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010249	0	38	0.0	-16.77	318.42	5.48	-11.29
O=C(NC1=CC=C2COCC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010250	0	35	0.0	-10.69	303.00	2.48	-8.21
O=C(CCCC1=NN=N[N-]1)N1CCC(OCC2=CC=CC=C2F)CC1	REAL000000010251	0	46	-1.0	-48.65	374.75	6.88	-41.77
O=C(CCCC1=N[N-]N=N1)N1CCC(OCC2=CC=CC=C2F)CC1	REAL000000010251	1	46	-1.0	-48.63	374.69	6.88	-41.75
O=C(CCCC1=NNN=N1)N1CCC(OCC2=CC=CC=C2F)CC1	REAL000000010251	1	47	0.0	-15.40	378.16	6.90	-8.50
O=C(CCC1=NN=N[N-]1)N1CCC(OCC2=CC=CC=C2F)CC1	REAL000000010252	0	43	-1.0	-41.11	353.28	6.10	-35.01
O=C(CCC1=N[N-]N=N1)N1CCC(OCC2=CC=CC=C2F)CC1	REAL000000010252	1	43	-1.0	-41.11	353.22	6.10	-35.01
O=C(CCC1=NNN=N1)N1CCC(OCC2=CC=CC=C2F)CC1	REAL000000010252	1	44	0.0	-11.13	356.63	6.11	-5.02
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC(OCC2=CC=CC=C2F)CC1	REAL000000010253	0	50	0.0	-17.36	402.26	9.38	-7.97
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC(OCC2=CC=CC=C2F)CC1	REAL000000010254	0	47	0.0	-10.59	385.88	7.13	-3.46
CC(=O)OC1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000010255	0	42	0.0	-17.10	339.50	7.00	-10.09
CC(=O)OC1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000010256	0	39	0.0	-11.63	323.79	4.77	-6.86
O=C(CCCC1=NN=N[N-]1)NC1=CN=C(C2=CC=CC=C2)S1	REAL000000010257	0	35	-1.0	-49.03	318.11	4.40	-44.63
O=C(CCCC1=N[N-]N=N1)NC1=CN=C(C2=CC=CC=C2)S1	REAL000000010257	1	35	-1.0	-49.02	318.05	4.39	-44.63
O=C(CCCC1=NNN=N1)NC1=CN=C(C2=CC=CC=C2)S1	REAL000000010257	1	36	0.0	-16.84	321.48	4.41	-12.43
O=C(CCC1=NN=N[N-]1)NC1=CN=C(C2=CC=CC=C2)S1	REAL000000010258	0	32	-1.0	-40.69	296.61	3.62	-37.07
O=C(CCC1=N[N-]N=N1)NC1=CN=C(C2=CC=CC=C2)S1	REAL000000010258	1	32	-1.0	-40.68	296.55	3.61	-37.06
O=C(CCC1=NNN=N1)NC1=CN=C(C2=CC=CC=C2)S1	REAL000000010258	1	33	0.0	-12.78	299.98	3.63	-9.15
O=C(NC1=CN=C(C2=CC=CC=C2)S1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010259	0	39	0.0	-17.31	346.61	7.26	-10.05
O=C(NC1=CN=C(C2=CC=CC=C2)S1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010260	0	36	0.0	-10.83	332.04	4.20	-6.63
COC(=O)CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(OC)C=C1OC	REAL000000010261	0	49	-1.0	-56.15	410.15	4.40	-51.75
COC(=O)CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(OC)C=C1OC	REAL000000010261	1	49	-1.0	-56.15	410.10	4.39	-51.75
COC(=O)CC(NC(=O)CCCC1=NNN=N1)C1=CC=C(OC)C=C1OC	REAL000000010261	1	50	0.0	-21.89	413.25	4.50	-17.39
COC(=O)CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(OC)C=C1OC	REAL000000010262	0	46	-1.0	-47.80	388.37	3.71	-44.09
COC(=O)CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(OC)C=C1OC	REAL000000010262	1	46	-1.0	-47.79	388.31	3.70	-44.09
COC(=O)CC(NC(=O)CCC1=NNN=N1)C1=CC=C(OC)C=C1OC	REAL000000010262	1	47	0.0	-17.30	391.82	3.76	-13.54
O=C(CCCC1=NN=N[N-]1)NC(CC(F)(F)F)C1=CC=C(F)C=C1	REAL000000010263	0	38	-1.0	-50.28	329.85	5.35	-44.93
O=C(CCCC1=N[N-]N=N1)NC(CC(F)(F)F)C1=CC=C(F)C=C1	REAL000000010263	1	38	-1.0	-50.27	329.79	5.35	-44.92
O=C(CCCC1=NNN=N1)NC(CC(F)(F)F)C1=CC=C(F)C=C1	REAL000000010263	1	39	0.0	-16.47	333.23	5.36	-11.11
O=C(CCC1=NN=N[N-]1)NC(CC(F)(F)F)C1=CC=C(F)C=C1	REAL000000010264	0	35	-1.0	-42.55	308.30	4.57	-37.98
O=C(CCC1=N[N-]N=N1)NC(CC(F)(F)F)C1=CC=C(F)C=C1	REAL000000010264	1	35	-1.0	-42.55	308.24	4.56	-37.99
O=C(CCC1=NNN=N1)NC(CC(F)(F)F)C1=CC=C(F)C=C1	REAL000000010264	1	36	0.0	-12.58	311.68	4.58	-8.00
O=C(NC(CC(F)(F)F)C1=CC=C(F)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010265	0	42	0.0	-18.53	358.71	8.18	-10.34
O=C(NC(CC(F)(F)F)C1=CC=C(F)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010266	0	39	0.0	-11.51	343.80	5.16	-6.36
CC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC2=CC=CC=C2C1	REAL000000010267	0	46	0.0	-15.76	369.04	8.86	-6.90
CC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CC2=CC=CC=C2C1	REAL000000010268	0	43	0.0	-9.17	354.48	5.80	-3.38
CC1CN(C(=O)CCCC2=NN=N[N-]2)CCC1[NH+]1CCN(C)CC1	REAL000000010269	0	53	0.0	-71.97	382.15	4.36	-67.61
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCC1[NH+]1CCN(C)CC1	REAL000000010269	1	53	0.0	-71.95	382.09	4.35	-67.60
CC1CN(C(=O)CCCC2=NNN=N2)CCC1[NH+]1CCN(C)CC1	REAL000000010269	1	54	1.0	-49.53	384.38	4.84	-44.69
CC1CN(C(=O)CCC2=NN=N[N-]2)CCC1[NH+]1CCN(C)CC1	REAL000000010270	0	50	0.0	-61.43	360.67	3.58	-57.84
CC1CN(C(=O)CCC2=N[N-]N=N2)CCC1[NH+]1CCN(C)CC1	REAL000000010270	1	50	0.0	-61.42	360.62	3.57	-57.85
CC1CN(C(=O)CCC2=NNN=N2)CCC1[NH+]1CCN(C)CC1	REAL000000010270	1	51	1.0	-44.25	362.88	4.06	-40.19
CC1CN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCC1[NH+]1CCN(C)CC1	REAL000000010271	0	57	1.0	-48.83	408.80	7.27	-41.55
CC1CN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CCC1[NH+]1CCN(C)CC1	REAL000000010272	0	54	1.0	-42.36	392.10	5.07	-37.29
COCCNC(=O)[C@H](CC(C)C)NC(=O)CCCC1=NN=N[N-]1	REAL000000010273	0	48	-1.0	-46.77	385.64	1.30	-45.47
COCCNC(=O)[C@H](CC(C)C)NC(=O)CCCC1=N[N-]N=N1	REAL000000010273	1	48	-1.0	-46.76	385.59	1.29	-45.47
COCCNC(=O)[C@H](CC(C)C)NC(=O)CCCC1=NNN=N1	REAL000000010273	1	49	0.0	-13.61	389.97	1.28	-12.33
COCCNC(=O)[C@H](CC(C)C)NC(=O)CCC1=NN=N[N-]1	REAL000000010274	0	45	-1.0	-42.08	358.46	0.02	-42.06
COCCNC(=O)[C@H](CC(C)C)NC(=O)CCC1=N[N-]N=N1	REAL000000010274	1	45	-1.0	-42.07	358.40	0.02	-42.05
COCCNC(=O)[C@H](CC(C)C)NC(=O)CCC1=NNN=N1	REAL000000010274	1	46	0.0	-10.42	361.84	0.03	-10.39
COCCNC(=O)[C@H](CC(C)C)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010275	0	52	0.0	-14.84	414.93	4.10	-10.74
COCCNC(=O)[C@H](CC(C)C)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010276	0	49	0.0	-10.97	400.36	1.08	-9.88
COC1=CC=CC(COC2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2C)=C1	REAL000000010277	0	50	-1.0	-49.97	410.27	6.89	-43.08
COC1=CC=CC(COC2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2C)=C1	REAL000000010277	1	50	-1.0	-49.96	410.21	6.89	-43.06
COC1=CC=CC(COC2=CC=CC(NC(=O)CCCC3=NNN=N3)=C2C)=C1	REAL000000010277	1	51	0.0	-17.07	413.64	6.90	-10.18
COC1=CC=CC(COC2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2C)=C1	REAL000000010278	0	47	-1.0	-42.38	388.77	6.11	-36.26
COC1=CC=CC(COC2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2C)=C1	REAL000000010278	1	47	-1.0	-42.38	388.71	6.10	-36.28
COC1=CC=CC(COC2=CC=CC(NC(=O)CCC3=NNN=N3)=C2C)=C1	REAL000000010278	1	48	0.0	-13.20	392.15	6.12	-7.08
CC(C)C(=O)NCCCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010279	0	45	0.0	-23.23	369.91	3.95	-19.28
CC(C)C(=O)NCCCNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010280	0	42	0.0	-15.48	355.35	0.89	-14.59
CC(=O)N1CCC(CN(C)C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000010281	0	46	0.0	-27.66	364.08	6.25	-21.41
CC(=O)N1CCC(CN(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000010282	0	43	0.0	-19.21	349.03	4.22	-14.99
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL000000010283	0	51	0.0	-70.75	383.50	8.08	-62.66
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL000000010283	1	51	0.0	-73.54	380.97	8.42	-65.12
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C(=O)CCC1=NN=N[N-]1	REAL000000010284	0	48	0.0	-59.37	362.00	7.29	-52.07
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C(=O)CCC1=NN=N[N-]1	REAL000000010284	1	48	0.0	-59.12	363.79	7.48	-51.64
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010285	0	55	1.0	-48.70	409.41	10.50	-38.21
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010285	1	55	1.0	-47.76	407.56	10.86	-36.90
CC1CN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(C)CN1CC1=CC=CC=C1	REAL000000010285	1	54	0.0	-14.52	407.80	8.22	-6.31
CC1CN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C(C)CN1CC1=CC=CC=C1	REAL000000010286	0	51	0.0	-9.40	396.73	6.64	-2.77
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010286	1	52	1.0	-41.27	396.37	8.51	-32.76
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010286	1	52	1.0	-43.05	389.99	8.45	-34.59
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCOCC1C1=NOC=N1	REAL000000010287	0	39	0.0	-21.25	318.65	1.62	-19.63
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCOCC1C1=NOC=N1	REAL000000010288	0	36	0.0	-14.22	303.07	-0.48	-14.69
CC(CC(=O)OCC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL000000010289	0	44	-1.0	-53.87	375.82	6.34	-47.53
CC(CC(=O)OCC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL000000010289	1	44	-1.0	-53.85	375.76	6.33	-47.53
CC(CC(=O)OCC1=CC=CC=C1)NC(=O)CCCC1=NNN=N1	REAL000000010289	1	45	0.0	-18.54	379.20	6.34	-12.20
CC(CC(=O)OCC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL000000010290	0	41	-1.0	-46.90	354.32	5.55	-41.35
CC(CC(=O)OCC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL000000010290	1	41	-1.0	-46.90	354.26	5.54	-41.35
CC(CC(=O)OCC1=CC=CC=C1)NC(=O)CCC1=NNN=N1	REAL000000010290	1	42	0.0	-15.01	357.70	5.56	-9.44
CC(CC(=O)OCC1=CC=CC=C1)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010291	0	48	0.0	-21.42	404.35	9.19	-12.23
CC(CC(=O)OCC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010292	0	45	0.0	-14.62	389.79	6.13	-8.48
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCOC2(CCC3=CC=CC=C32)C1	REAL000000010295	0	48	0.0	-17.09	372.32	8.33	-8.76
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCOC2(CCC3=CC=CC=C32)C1	REAL000000010296	0	45	0.0	-9.91	357.13	6.11	-3.80
CS(=O)(=O)N1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL000000010297	0	40	-1.0	-57.84	342.24	-0.62	-58.47
CS(=O)(=O)N1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL000000010297	1	40	-1.0	-57.82	342.18	-0.63	-58.45
CS(=O)(=O)N1CCC(CNC(=O)CCCC2=NNN=N2)C1	REAL000000010297	1	41	0.0	-24.12	346.36	-0.61	-24.73
CS(=O)(=O)N1CCC(CNC(=O)CCC2=NN=N[N-]2)C1	REAL000000010298	0	37	-1.0	-49.08	320.74	-1.42	-50.49
CS(=O)(=O)N1CCC(CNC(=O)CCC2=N[N-]N=N2)C1	REAL000000010298	1	37	-1.0	-49.07	320.68	-1.41	-50.49
CS(=O)(=O)N1CCC(CNC(=O)CCC2=NNN=N2)C1	REAL000000010298	1	38	0.0	-20.11	324.12	-1.41	-21.52
CS(=O)(=O)N1CCC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000010299	0	44	0.0	-23.12	371.03	2.23	-20.89
CS(=O)(=O)N1CCC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000010300	0	41	0.0	-17.04	356.72	-0.84	-17.88
COC(=O)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1OC	REAL000000010301	0	42	-1.0	-50.97	361.27	4.20	-46.78
COC(=O)C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1OC	REAL000000010301	1	42	-1.0	-50.96	361.21	4.20	-46.76
COC(=O)C1=CC=C(CNC(=O)CCCC2=NNN=N2)C=C1OC	REAL000000010301	1	43	0.0	-19.17	364.66	4.21	-14.96
COC(=O)C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1OC	REAL000000010302	0	39	-1.0	-44.04	339.78	3.42	-40.62
COC(=O)C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1OC	REAL000000010302	1	39	-1.0	-44.03	339.72	3.41	-40.62
COC(=O)C1=CC=C(CNC(=O)CCC2=NNN=N2)C=C1OC	REAL000000010302	1	40	0.0	-15.73	343.15	3.43	-12.31
COC(=O)C1=CC=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1OC	REAL000000010303	0	46	0.0	-20.03	389.81	7.05	-12.98
COC(=O)C1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1OC	REAL000000010304	0	43	0.0	-14.61	375.25	3.99	-10.62
O=C(NCCCC1=CC=CS1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010305	0	39	0.0	-15.61	340.90	6.99	-8.62
O=C(NCCCC1=CC=CS1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010306	0	36	0.0	-9.19	326.34	3.93	-5.26
O=C(NCCSCC(F)(F)F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010307	0	36	0.0	-19.40	332.88	5.86	-13.54
O=C(NCCSCC(F)(F)F)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010308	0	33	0.0	-11.75	318.32	2.80	-8.95
O=C(CCCC1=NN=N[N-]1)N1CCNC(=O)C1C1=CC=CC(Br)=C1	REAL000000010309	0	40	-1.0	-57.63	349.15	3.76	-53.88
O=C(CCCC1=N[N-]N=N1)N1CCNC(=O)C1C1=CC=CC(Br)=C1	REAL000000010309	1	40	-1.0	-57.62	349.09	3.75	-53.88
O=C(CCCC1=NNN=N1)N1CCNC(=O)C1C1=CC=CC(Br)=C1	REAL000000010309	1	41	0.0	-21.70	352.52	3.75	-17.95
O=C(CCC1=NN=N[N-]1)N1CCNC(=O)C1C1=CC=CC(Br)=C1	REAL000000010310	0	37	-1.0	-45.42	327.65	2.98	-42.45
O=C(CCC1=N[N-]N=N1)N1CCNC(=O)C1C1=CC=CC(Br)=C1	REAL000000010310	1	37	-1.0	-45.42	327.60	2.97	-42.45
O=C(CCC1=NNN=N1)N1CCNC(=O)C1C1=CC=CC(Br)=C1	REAL000000010310	1	38	0.0	-16.26	331.02	2.97	-13.30
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL000000010311	0	49	-1.0	-51.15	411.91	7.52	-43.62
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL000000010311	1	49	-1.0	-51.13	411.85	7.52	-43.60
O=C(CCCC1=NNN=N1)NCCC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL000000010311	1	50	0.0	-17.79	415.29	7.53	-10.26
O=C(CCC1=NN=N[N-]1)NCCC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL000000010312	0	46	-1.0	-43.15	390.41	6.74	-36.41
O=C(CCC1=N[N-]N=N1)NCCC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL000000010312	1	46	-1.0	-43.14	390.36	6.74	-36.40
O=C(CCC1=NNN=N1)NCCC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL000000010312	1	47	0.0	-13.57	393.79	6.75	-6.82
O=C(CCCC1=NN=N[N-]1)NC1CCCN(C2=CC=CC=C2F)C1=O	REAL000000010313	0	43	-1.0	-61.30	362.13	4.91	-56.39
O=C(CCCC1=N[N-]N=N1)NC1CCCN(C2=CC=CC=C2F)C1=O	REAL000000010313	1	43	-1.0	-61.29	362.07	4.91	-56.39
O=C(CCCC1=NNN=N1)NC1CCCN(C2=CC=CC=C2F)C1=O	REAL000000010313	1	44	0.0	-25.43	365.51	4.91	-20.51
O=C(CCC1=NN=N[N-]1)NC1CCCN(C2=CC=CC=C2F)C1=O	REAL000000010314	0	40	-1.0	-51.63	340.72	4.13	-47.50
O=C(CCC1=N[N-]N=N1)NC1CCCN(C2=CC=CC=C2F)C1=O	REAL000000010314	1	40	-1.0	-51.63	340.66	4.12	-47.51
O=C(CCC1=NNN=N1)NC1CCCN(C2=CC=CC=C2F)C1=O	REAL000000010314	1	41	0.0	-19.72	345.11	4.16	-15.56
O=C(NC1CCCN(C2=CC=CC=C2F)C1=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010315	0	47	0.0	-28.98	391.68	7.84	-21.14
O=C(NC1CCCN(C2=CC=CC=C2F)C1=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010316	0	44	0.0	-19.92	376.18	4.70	-15.22
CCSCC1=CC=NC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL000000010317	0	38	-1.0	-53.04	337.00	5.82	-47.22
CCSCC1=CC=NC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL000000010317	1	38	-1.0	-53.03	336.94	5.81	-47.22
CCSCC1=CC=NC(NC(=O)CCCC2=NNN=N2)=C1	REAL000000010317	1	39	0.0	-18.84	340.38	5.83	-13.01
CCSCC1=CC=NC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000010318	0	42	0.0	-20.47	365.71	8.71	-11.76
CCSCC1=CC=NC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000010319	0	39	0.0	-13.09	350.96	5.61	-7.48
O=C(CCCC1=NN=N[N-]1)NC(CCO)C1=CC=C(F)C=C1	REAL000000010320	0	39	-1.0	-46.43	328.30	1.68	-44.75
O=C(CCCC1=N[N-]N=N1)NC(CCO)C1=CC=C(F)C=C1	REAL000000010320	1	39	-1.0	-46.42	328.24	1.68	-44.74
O=C(CCCC1=NNN=N1)NC(CCO)C1=CC=C(F)C=C1	REAL000000010320	1	40	0.0	-14.55	331.67	1.68	-12.87
O=C(NC(CCO)C1=CC=C(F)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010321	0	43	0.0	-15.59	357.21	4.50	-11.09
O=C(NC(CCO)C1=CC=C(F)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010322	0	40	0.0	-9.98	342.27	1.46	-8.52
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N(CCCO)C1CC1	REAL000000010323	0	40	0.0	-17.22	317.71	3.73	-13.49
CC1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1C	REAL000000010324	0	42	0.0	-15.25	316.55	7.46	-7.78
C[NH+](C)CCCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL000000010325	0	50	0.0	-75.49	375.40	7.00	-68.49
C[NH+](C)CCCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL000000010325	1	50	0.0	-75.47	375.34	7.00	-68.47
C[NH+](C)CCCC1CCN(C(=O)CCCC2=NNN=N2)CC1	REAL000000010325	1	51	1.0	-50.31	378.82	7.00	-43.32
C[NH+](C)CCCC1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000010326	0	54	1.0	-51.55	403.53	9.53	-42.02
C[NH+](C)CCCC1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000010327	0	51	1.0	-44.10	386.46	7.24	-36.86
C[N@@H+]1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(C)(C)C1	REAL000000010328	0	45	1.0	-52.81	332.13	7.24	-45.57
C[N@H+]1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(C)(C)C1	REAL000000010328	1	45	1.0	-50.07	332.92	7.19	-42.89
CN1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(C)(C)C1	REAL000000010328	1	44	0.0	-14.00	332.48	5.12	-8.88
CN1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C(C)(C)C1	REAL000000010329	0	41	0.0	-8.13	317.27	2.84	-5.28
C[N@@H+]1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C(C)(C)C1	REAL000000010329	1	42	1.0	-43.07	317.48	4.98	-38.09
C[N@H+]1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C(C)(C)C1	REAL000000010329	1	42	1.0	-42.87	317.22	5.03	-37.84
NC(=O)N1CCC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C21	REAL000000010330	0	39	-1.0	-53.59	326.29	1.80	-51.79
NC(=O)N1CCC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C21	REAL000000010330	1	39	-1.0	-53.57	326.23	1.79	-51.79
NC(=O)N1CCC2=CC(NC(=O)CCCC3=NNN=N3)=CC=C21	REAL000000010330	1	40	0.0	-21.28	329.52	1.80	-19.48
NC(=O)N1CCC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C21	REAL000000010331	0	36	-1.0	-46.43	304.77	1.02	-45.41
NC(=O)N1CCC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C21	REAL000000010331	1	36	-1.0	-46.42	304.71	1.01	-45.41
NC(=O)N1CCC2=CC(NC(=O)CCC3=NNN=N3)=CC=C21	REAL000000010331	1	37	0.0	-17.51	308.15	1.03	-16.48
NC(=O)N1CCC2=CC(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=CC=C21	REAL000000010332	0	43	0.0	-21.86	354.37	4.68	-17.19
NC(=O)N1CCC2=CC(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=CC=C21	REAL000000010333	0	40	0.0	-19.73	340.25	1.59	-18.14
COC(=O)C1CCC(NC(=O)CCCC2=NN=N[N-]2)(C(=O)OC)CC1	REAL000000010334	0	47	-1.0	-48.60	376.74	5.54	-43.07
COC(=O)C1CCC(NC(=O)CCCC2=N[N-]N=N2)(C(=O)OC)CC1	REAL000000010334	1	47	-1.0	-48.60	376.68	5.53	-43.07
COC(=O)C1CCC(NC(=O)CCCC2=NNN=N2)(C(=O)OC)CC1	REAL000000010334	1	48	0.0	-16.23	380.13	5.54	-10.69
COC(=O)C1CCC(NC(=O)CCC2=NN=N[N-]2)(C(=O)OC)CC1	REAL000000010335	0	44	-1.0	-42.73	355.23	4.75	-37.98
COC(=O)C1CCC(NC(=O)CCC2=N[N-]N=N2)(C(=O)OC)CC1	REAL000000010335	1	44	-1.0	-42.73	355.18	4.75	-37.97
COC(=O)C1CCC(NC(=O)CCC2=NNN=N2)(C(=O)OC)CC1	REAL000000010335	1	45	0.0	-13.17	358.62	4.76	-8.41
COC(=O)C1CCC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)(C(=O)OC)CC1	REAL000000010336	0	48	0.0	-17.03	391.31	3.96	-13.07
COC1=CC=CC=C1COC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL000000010337	0	50	-1.0	-49.74	397.75	6.19	-43.55
COC1=CC=CC=C1COC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL000000010337	1	50	-1.0	-49.73	397.69	6.19	-43.54
COC1=CC=CC=C1COC1CCN(C(=O)CCCC2=NNN=N2)CC1	REAL000000010337	1	51	0.0	-16.24	401.13	6.20	-10.04
COC1=CC=CC=C1COC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL000000010338	0	47	-1.0	-42.26	376.24	5.40	-36.85
COC1=CC=CC=C1COC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL000000010338	1	47	-1.0	-42.26	376.19	5.41	-36.85
COC1=CC=CC=C1COC1CCN(C(=O)CCC2=NNN=N2)CC1	REAL000000010338	1	48	0.0	-11.93	379.59	5.41	-6.51
COC1=CC=CC=C1COC1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000010339	0	51	0.0	-11.51	408.84	6.44	-5.08
O=C(CCC1=NN=N[N-]1)NC1(C2=NOC(C3CCCCC3)=N2)CCCCCC1	REAL000000010340	0	56	-1.0	-42.27	414.02	5.90	-36.37
O=C(CCC1=N[N-]N=N1)NC1(C2=NOC(C3CCCCC3)=N2)CCCCCC1	REAL000000010340	1	56	-1.0	-42.27	413.96	5.90	-36.37
O=C(CCC1=NNN=N1)NC1(C2=NOC(C3CCCCC3)=N2)CCCCCC1	REAL000000010340	1	57	0.0	-11.85	417.40	5.92	-5.93
CN1C(=O)OC2=C(NC(=O)CCCC3=NN=N[N-]3)C=CC=C21	REAL000000010341	0	35	-1.0	-49.44	306.19	3.34	-46.11
CN1C(=O)OC2=C(NC(=O)CCCC3=N[N-]N=N3)C=CC=C21	REAL000000010341	1	35	-1.0	-49.43	306.13	3.33	-46.11
CN1C(=O)OC2=C(NC(=O)CCCC3=NNN=N3)C=CC=C21	REAL000000010341	1	36	0.0	-17.57	310.61	3.36	-14.21
CN1C(=O)OC2=C(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)C=CC=C21	REAL000000010342	0	39	0.0	-17.79	335.77	6.22	-11.57
CN1C(=O)OC2=C(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)C=CC=C21	REAL000000010343	0	36	0.0	-14.49	320.60	3.13	-11.36
CCC1=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(C)=NO1	REAL000000010344	0	38	0.0	-16.91	316.56	5.78	-11.13
CCCC1CN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCO1	REAL000000010345	0	43	0.0	-15.42	338.19	6.06	-9.36
CCCC1CN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CCO1	REAL000000010346	0	40	0.0	-8.97	322.58	3.84	-5.13
CC(C)(C)C(=O)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010347	0	40	0.0	-13.81	327.71	5.19	-8.63
COC1=CC=C(C(CCO)NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL000000010348	0	43	-1.0	-47.57	351.38	0.91	-46.66
COC1=CC=C(C(CCO)NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL000000010348	1	43	-1.0	-47.55	351.33	0.92	-46.64
COC1=CC=C(C(CCO)NC(=O)CCCC2=NNN=N2)C=C1	REAL000000010348	1	44	0.0	-15.34	354.76	0.92	-14.42
COC1=CC=C(C(CCO)NC(=O)CCC2=NN=N[N-]2)C=C1	REAL000000010349	0	40	-1.0	-40.56	329.89	0.13	-40.42
COC1=CC=C(C(CCO)NC(=O)CCC2=N[N-]N=N2)C=C1	REAL000000010349	1	40	-1.0	-40.55	329.83	0.13	-40.41
COC1=CC=C(C(CCO)NC(=O)CCC2=NNN=N2)C=C1	REAL000000010349	1	41	0.0	-11.81	333.31	0.14	-11.67
COC1=CC=C(C(CCO)NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000010350	0	47	0.0	-16.56	380.30	3.74	-12.83
COC1=CC=C(C(CCO)NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000010351	0	44	0.0	-10.77	365.36	0.71	-10.05
O=C(CCCC1=NN=N[N-]1)NC(CC1=CC=C(O)C=C1)C1=NC2=CC=CC=C2N1	REAL000000010352	0	49	-1.0	-51.98	416.02	4.00	-47.98
O=C(CCCC1=N[N-]N=N1)NC(CC1=CC=C(O)C=C1)C1=NC2=CC=CC=C2N1	REAL000000010352	1	49	-1.0	-51.97	415.97	4.00	-47.97
O=C(CCCC1=NNN=N1)NC(CC1=CC=C(O)C=C1)C1=NC2=CC=CC=C2N1	REAL000000010352	1	50	0.0	-22.51	417.38	4.37	-18.15
O=C(CCC1=NN=N[N-]1)NC(CC1=CC=C(O)C=C1)C1=NC2=CC=CC=C2N1	REAL000000010353	0	46	-1.0	-45.90	394.53	3.22	-42.68
O=C(CCC1=N[N-]N=N1)NC(CC1=CC=C(O)C=C1)C1=NC2=CC=CC=C2N1	REAL000000010353	1	46	-1.0	-45.90	394.47	3.22	-42.68
O=C(CCC1=NNN=N1)NC(CC1=CC=C(O)C=C1)C1=NC2=CC=CC=C2N1	REAL000000010353	1	47	0.0	-15.01	397.90	3.22	-11.78
CN(CCO)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL000000010354	0	41	-1.0	-51.26	335.53	1.51	-49.74
CN(CCO)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL000000010354	1	41	-1.0	-51.24	335.48	1.51	-49.73
CN(CCO)C1=CC=C(NC(=O)CCCC2=NNN=N2)C=C1	REAL000000010354	1	42	0.0	-17.41	340.39	1.43	-15.98
CN(CCO)C1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000010355	0	45	0.0	-17.79	364.95	4.30	-13.49
CN(CCO)C1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000010356	0	42	0.0	-11.77	349.77	1.29	-10.48
CC(C)C1=CC=C(CC(C)NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL000000010357	0	47	-1.0	-48.51	379.09	7.19	-41.32
CC(C)C1=CC=C(CC(C)NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL000000010357	1	47	-1.0	-48.50	379.03	7.19	-41.31
CC(C)C1=CC=C(CC(C)NC(=O)CCCC2=NNN=N2)C=C1	REAL000000010357	1	48	0.0	-14.74	382.47	7.20	-7.54
CC(C)C1=CC=C(CC(C)NC(=O)CCC2=NN=N[N-]2)C=C1	REAL000000010358	0	44	-1.0	-40.94	357.59	6.41	-34.53
CC(C)C1=CC=C(CC(C)NC(=O)CCC2=N[N-]N=N2)C=C1	REAL000000010358	1	44	-1.0	-40.94	357.53	6.41	-34.53
CC(C)C1=CC=C(CC(C)NC(=O)CCC2=NNN=N2)C=C1	REAL000000010358	1	45	0.0	-10.48	360.97	6.42	-4.06
CC(C)C1=CC=C(CC(C)NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000010359	0	51	0.0	-17.17	407.67	10.05	-7.12
CC(C)C1=CC=C(CC(C)NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000010360	0	48	0.0	-9.72	393.06	6.98	-2.74
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2NC(C3=CC=CC(F)=C3)=NC2=C1	REAL000000010361	0	42	-1.0	-57.69	365.18	6.00	-51.69
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2NC(C3=CC=CC(F)=C3)=NC2=C1	REAL000000010361	1	42	-1.0	-57.67	365.12	5.99	-51.68
O=C(CCC1=NN=N[N-]1)NC1=CC=C2NC(C3=CC=CC(F)=C3)=NC2=C1	REAL000000010362	0	39	-1.0	-48.32	343.68	5.21	-43.11
O=C(CCC1=N[N-]N=N1)NC1=CC=C2NC(C3=CC=CC(F)=C3)=NC2=C1	REAL000000010362	1	39	-1.0	-48.32	343.62	5.21	-43.11
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2NC(C3=CC=CC=C3Cl)=NC2=C1	REAL000000010363	0	42	-1.0	-52.65	371.07	6.82	-45.83
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2NC(C3=CC=CC=C3Cl)=NC2=C1	REAL000000010363	1	42	-1.0	-52.63	371.01	6.81	-45.82
O=C(CCC1=NN=N[N-]1)NC1=CC=C2NC(C3=CC=CC=C3Cl)=NC2=C1	REAL000000010364	0	39	-1.0	-45.75	349.57	6.04	-39.71
O=C(CCC1=N[N-]N=N1)NC1=CC=C2NC(C3=CC=CC=C3Cl)=NC2=C1	REAL000000010364	1	39	-1.0	-45.74	349.52	6.03	-39.71
O=C(CO)N1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000010365	0	41	0.0	-27.39	329.20	2.92	-24.47
O=C(CO)N1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000010366	0	38	0.0	-19.27	314.11	0.66	-18.61
CC1=NC(CCNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C(C)O1	REAL000000010367	0	41	0.0	-21.03	347.21	3.22	-17.81
CC1=NC(CCNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C(C)O1	REAL000000010368	0	38	0.0	-13.62	332.66	0.16	-13.47
CC1=CC(C[NH+](C)C)=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL000000010369	0	44	0.0	-77.09	353.07	5.94	-71.15
CC1=CC(C[NH+](C)C)=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL000000010369	1	44	0.0	-77.08	353.02	5.93	-71.15
CC1=CC(C[NH+](C)C)=CC(NC(=O)CCCC2=NNN=N2)=C1	REAL000000010369	1	45	1.0	-40.91	356.19	5.96	-34.95
CC1=CC(C[NH+](C)C)=CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000010370	0	48	1.0	-41.83	382.01	8.76	-33.07
CC1=CC(C[NH+](C)C)=CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000010371	0	45	1.0	-45.12	366.78	5.75	-39.37
O=C(CCCC1=NN=N[N-]1)NC1COC2=CC=CC=C2C1=O	REAL000000010372	0	36	-1.0	-55.35	312.08	2.67	-52.68
O=C(CCCC1=N[N-]N=N1)NC1COC2=CC=CC=C2C1=O	REAL000000010372	1	36	-1.0	-55.33	312.02	2.67	-52.66
O=C(CCCC1=NNN=N1)NC1COC2=CC=CC=C2C1=O	REAL000000010372	1	37	0.0	-20.08	315.69	2.67	-17.41
O=C(NC1COC2=CC=CC=C2C1=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010373	0	40	0.0	-22.44	340.67	5.54	-16.90
O=C(NC1COC2=CC=CC=C2C1=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010374	0	37	0.0	-14.93	326.05	2.46	-12.47
O=C(CCCC1=NN=N[N-]1)N1C2CCC1CC(O)(CC1=CC=C(F)C=C1F)C2	REAL000000010375	0	50	-1.0	-51.94	375.25	4.86	-47.08
O=C(CCCC1=N[N-]N=N1)N1C2CCC1CC(O)(CC1=CC=C(F)C=C1F)C2	REAL000000010375	1	50	-1.0	-51.94	375.19	4.86	-47.07
O=C(CCCC1=NNN=N1)N1C2CCC1CC(O)(CC1=CC=C(F)C=C1F)C2	REAL000000010375	1	51	0.0	-22.59	378.62	4.87	-17.71
O=C(CCC1=NN=N[N-]1)N1C2CCC1CC(O)(CC1=CC=C(F)C=C1F)C2	REAL000000010376	0	47	-1.0	-47.20	353.75	4.09	-43.12
O=C(CCC1=N[N-]N=N1)N1C2CCC1CC(O)(CC1=CC=C(F)C=C1F)C2	REAL000000010376	1	47	-1.0	-47.21	353.69	4.08	-43.14
O=C(CCC1=NNN=N1)N1C2CCC1CC(O)(CC1=CC=C(F)C=C1F)C2	REAL000000010376	1	48	0.0	-17.12	357.74	4.11	-13.01
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2NC(C(F)F)=NC2=C1	REAL000000010377	0	35	-1.0	-49.07	314.27	3.02	-46.05
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2NC(C(F)F)=NC2=C1	REAL000000010377	1	35	-1.0	-49.05	314.21	3.01	-46.04
O=C(CCC1=NN=N[N-]1)NC1=CC=C2NC(C(F)F)=NC2=C1	REAL000000010378	0	32	-1.0	-41.53	292.77	2.24	-39.29
O=C(CCC1=N[N-]N=N1)NC1=CC=C2NC(C(F)F)=NC2=C1	REAL000000010378	1	32	-1.0	-41.52	292.71	2.23	-39.29
O=C(NC1=CC=C2NC(C(F)F)=NC2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010379	0	39	0.0	-23.17	342.55	5.89	-17.27
O=C(NC1=CC=C2N=C(C(F)F)NC2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010379	1	39	0.0	-18.60	343.00	5.91	-12.68
O=C(NC1=CC=C2NC(C(F)F)=NC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010380	0	36	0.0	-11.63	328.25	2.81	-8.82
O=C(NC1=CC=C2N=C(C(F)F)NC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010380	1	36	0.0	-11.95	327.86	2.83	-9.11
CC1(O)CCCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000010381	0	40	0.0	-15.58	313.14	3.39	-12.19
CC(C)(C)OC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL000000010382	0	44	-1.0	-48.99	362.93	6.06	-42.92
CC(C)(C)OC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL000000010382	1	44	-1.0	-48.97	362.87	6.07	-42.90
CC(C)(C)OC(=O)C1=CC=C(NC(=O)CCCC2=NNN=N2)C=C1	REAL000000010382	1	45	0.0	-18.30	366.00	6.09	-12.21
CC(C)(C)OC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL000000010383	0	41	-1.0	-40.61	341.43	5.28	-35.32
CC(C)(C)OC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL000000010383	1	41	-1.0	-40.61	341.37	5.28	-35.33
CC(C)(C)OC(=O)C1=CC=C(NC(=O)CCC2=NNN=N2)C=C1	REAL000000010383	1	42	0.0	-12.84	344.81	5.29	-7.55
CC(C)(C)OC(=O)C1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000010384	0	48	0.0	-17.51	391.91	8.88	-8.63
CC(C)(C)OC(=O)C1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000010385	0	45	0.0	-10.78	376.58	5.87	-4.91
COC1CCCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000010386	0	40	0.0	-16.68	316.14	5.02	-11.66
CC1CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCO1	REAL000000010387	0	40	0.0	-14.88	318.32	4.76	-10.12
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000010388	0	42	-1.0	-45.47	337.81	4.70	-40.77
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000010388	1	42	-1.0	-45.46	337.75	4.70	-40.76
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000010388	1	43	0.0	-12.95	342.28	4.73	-8.23
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL000000010389	0	39	-1.0	-38.51	317.41	3.94	-34.57
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL000000010389	1	39	-1.0	-38.50	317.35	3.93	-34.57
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)CCC1=NNN=N1	REAL000000010389	1	40	0.0	-9.23	320.78	3.94	-5.28
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010390	0	46	0.0	-13.94	368.56	7.48	-6.46
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010391	0	43	0.0	-8.70	354.18	4.49	-4.21
CC(C)N(CC(=O)OC(C)(C)C)C(=O)CCCC1=NN=N[N-]1	REAL000000010392	0	46	-1.0	-49.54	358.83	6.26	-43.28
CC(C)N(CC(=O)OC(C)(C)C)C(=O)CCCC1=N[N-]N=N1	REAL000000010392	1	46	-1.0	-49.53	358.77	6.26	-43.27
CC(C)N(CC(=O)OC(C)(C)C)C(=O)CCCC1=NNN=N1	REAL000000010392	1	47	0.0	-15.52	362.21	6.27	-9.25
CC(C)N(CC(=O)OC(C)(C)C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010393	0	50	0.0	-15.44	382.02	8.54	-6.91
CC(C)N(CC(=O)OC(C)(C)C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010394	0	47	0.0	-11.27	369.24	6.94	-4.33
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCOC2(CCC2)C1	REAL000000010395	0	41	0.0	-15.29	322.62	5.53	-9.77
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCOC2(CCC2)C1	REAL000000010396	0	38	0.0	-9.30	305.04	3.39	-5.91
CC(C)(C)C1=CC=C2C(=C1)CCCN2C(=O)CCCC1=NN=N[N-]1	REAL000000010397	0	48	-1.0	-49.73	366.05	8.40	-41.33
CC(C)(C)C1=CC=C2C(=C1)CCCN2C(=O)CCCC1=N[N-]N=N1	REAL000000010397	1	48	-1.0	-49.71	365.99	8.39	-41.33
CC(C)(C)C1=CC=C2C(=C1)CCCN2C(=O)CCCC1=NNN=N1	REAL000000010397	1	49	0.0	-15.65	369.43	8.41	-7.24
CC(C)(C)C1=CC=C2C(=C1)CCCN2C(=O)CCC1=NN=N[N-]1	REAL000000010398	0	45	-1.0	-40.79	344.55	7.62	-33.17
CC(C)(C)C1=CC=C2C(=C1)CCCN2C(=O)CCC1=N[N-]N=N1	REAL000000010398	1	45	-1.0	-40.79	344.49	7.61	-33.18
CC(C)(C)C1=CC=C2C(=C1)CCCN2C(=O)CCC1=NNN=N1	REAL000000010398	1	46	0.0	-10.93	347.92	7.63	-3.30
CC(C)(C)C1=CC=C2C(=C1)CCCN2C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010399	0	52	0.0	-17.55	391.79	10.87	-6.68
CC(C)(C)C1=CC=C2C(=C1)CCCN2C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010400	0	49	0.0	-10.21	376.87	8.62	-1.59
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCN2C(=O)CCC2C1	REAL000000010401	0	41	0.0	-14.77	325.64	5.25	-9.52
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCN2C(=O)CCC2C1	REAL000000010402	0	38	0.0	-14.94	310.60	3.17	-11.77
CCC1(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCOCC1	REAL000000010403	0	43	0.0	-14.60	328.31	5.44	-9.16
CCC1(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCOCC1	REAL000000010404	0	40	0.0	-8.22	312.92	2.34	-5.88
O=C(CCCC1=NN=N[N-]1)NC1CCCN(CC2=CC=CC=C2)C1=O	REAL000000010405	0	46	-1.0	-59.36	375.15	5.28	-54.08
O=C(CCCC1=N[N-]N=N1)NC1CCCN(CC2=CC=CC=C2)C1=O	REAL000000010405	1	46	-1.0	-59.36	375.09	5.29	-54.07
O=C(CCCC1=NNN=N1)NC1CCCN(CC2=CC=CC=C2)C1=O	REAL000000010405	1	47	0.0	-21.99	378.53	5.29	-16.70
O=C(CCC1=NN=N[N-]1)NC1CCCN(CC2=CC=CC=C2)C1=O	REAL000000010406	0	43	-1.0	-52.39	353.82	4.52	-47.86
O=C(CCC1=N[N-]N=N1)NC1CCCN(CC2=CC=CC=C2)C1=O	REAL000000010406	1	43	-1.0	-52.38	353.76	4.52	-47.86
O=C(CCC1=NNN=N1)NC1CCCN(CC2=CC=CC=C2)C1=O	REAL000000010406	1	44	0.0	-18.30	357.03	4.51	-13.78
O=C(NC1CCCN(CC2=CC=CC=C2)C1=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010407	0	50	0.0	-25.42	403.69	8.19	-17.23
O=C(NC1CCCN(CC2=CC=CC=C2)C1=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010408	0	47	0.0	-18.45	389.35	5.05	-13.40
CC(=O)N1CCC(NC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL000000010409	0	43	-1.0	-54.52	342.64	4.29	-50.23
CC(=O)N1CCC(NC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL000000010409	1	43	-1.0	-54.51	342.58	4.29	-50.22
CC(=O)N1CCC(NC(=O)CCCC2=NNN=N2)C2=CC=CC=C21	REAL000000010409	1	44	0.0	-21.45	346.01	4.22	-17.23
CC(=O)N1CCC(NC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C21	REAL000000010410	0	40	-1.0	-47.34	319.83	3.37	-43.96
CC(=O)N1CCC(NC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C21	REAL000000010410	1	40	-1.0	-47.33	319.77	3.37	-43.96
CC(=O)N1CCC(NC(=O)CCC2=NNN=N2)C2=CC=CC=C21	REAL000000010410	1	41	0.0	-17.58	323.43	3.47	-14.11
CC(=O)N1CCC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C2=CC=CC=C21	REAL000000010411	0	47	0.0	-22.89	370.48	7.04	-15.85
CC(=O)N1CCC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C2=CC=CC=C21	REAL000000010412	0	44	0.0	-16.53	357.03	4.11	-12.42
O=C(CCCC1=NN=N[N-]1)NCCNC(=O)C1=CC=CS1	REAL000000010413	0	36	-1.0	-50.20	327.87	0.93	-49.27
O=C(CCCC1=N[N-]N=N1)NCCNC(=O)C1=CC=CS1	REAL000000010413	1	36	-1.0	-50.19	327.81	0.92	-49.27
O=C(CCCC1=NNN=N1)NCCNC(=O)C1=CC=CS1	REAL000000010413	1	37	0.0	-17.60	331.24	0.93	-16.67
O=C(NCCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CS1	REAL000000010414	0	40	0.0	-18.77	356.40	3.78	-14.98
O=C(NCCNC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CS1	REAL000000010415	0	37	0.0	-13.21	341.84	0.72	-12.49
CCC1=NOC(C)=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010416	0	38	0.0	-17.01	315.51	5.60	-11.40
CCCOC1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000010417	0	43	0.0	-16.48	355.18	7.23	-9.25
CCCOC1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000010418	0	40	0.0	-9.53	339.88	4.21	-5.32